#------------------------------------------------------------------------------
#$Date: 2024-04-05 02:27:33 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290944 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/53/7715332.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715332
loop_
_publ_author_name
'Egger, Charlotte'
'Guénée, Laure'
'Deorukhkar, Neel'
'Piguet, Claude'
_publ_section_title
;
 Programming heterometallic 4f-4f' helicates under thermodynamic control:
 the circle is complete.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6050
_journal_page_last               6062
_journal_paper_doi               10.1039/d4dt00610k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety
'C165 H148 Eu2 N36 O3 Zn, C3 H8 O, 7(C F3 O3 S), 1[CF3SO3], 12[C3H8O]'
_chemical_formula_sum            'C175 H155 Eu2 F21 N36 O25 S7 Zn'
_chemical_formula_weight         4155.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2022-08-02
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-12-20 deposited with the CCDC.	2024-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                92.6755(14)
_cell_angle_beta                 95.8386(14)
_cell_angle_gamma                118.0562(18)
_cell_formula_units_Z            2
_cell_length_a                   16.5519(3)
_cell_length_b                   17.2409(3)
_cell_length_c                   48.1977(9)
_cell_measurement_reflns_used    29275
_cell_measurement_temperature    119.99(10)
_cell_measurement_theta_max      66.8910
_cell_measurement_theta_min      2.7720
_cell_volume                     12004.7(4)
_computing_cell_refinement       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.89a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.864
_diffrn_measured_fraction_theta_max 0.848
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -96.00 -63.00   0.50   15.00    --  -57.30   0.00   0.00   66
  2  ω    -46.00 -18.00   0.50   15.00    --  -57.30   0.00   0.00   56
  3  ω    -91.00 -25.00   0.50   15.00    --  -57.30 -15.00  60.00  132
  4  ω    -70.00 -32.00   0.50   15.00    --  -57.30 -15.00   0.00   76
  5  ω   -102.00 -25.00   0.50   15.00    --  -57.30 -15.00 -60.00  154
  6  ω     36.00  61.00   0.50   15.00    --   60.27-125.00 150.00   50
  7  ω     21.00  70.00   0.50   15.00    --   60.27 -94.00  60.00   98
  8  ω     26.00  56.00   0.50   15.00    --   60.27 -94.00-120.00   60
  9  ω     22.00  62.00   0.50   15.00    --   60.27 -94.00-180.00   80
 10  ω     24.00  53.00   0.50   15.00    --   60.27 -94.00 -90.00   58
 11  ω     21.00  61.00   0.50   15.00    --   60.27 -94.00 -30.00   80
 12  ω     35.00  85.00   0.50   15.00    --   74.70 -94.00  60.00  100
 13  ω     44.00  84.00   0.50   15.00    --   74.70 -94.00-180.00   80
 14  ω     43.00 105.00   0.50   15.00    --   74.70-125.00  30.00  124
 15  ω     36.00  78.00   0.50   15.00    --   74.70 -94.00 120.00   84
 16  ω     70.00 121.00   0.50   15.00    --   74.70  15.00-120.00  102
 17  ω     66.00 111.00   0.50   15.00    --   77.04   0.00  30.00   90
 18  ω     43.00  81.00   0.50   15.00    --   77.04 -94.00 -30.00   76
 19  ω     39.00  64.00   0.50   15.00    --   77.04 -94.00 -60.00   50
 20  ω     41.00  69.00   0.50   15.00    --   77.04 -94.00-150.00   56
 21  ω     51.00 123.00   0.50   15.00    --   77.04  15.00 120.00  144
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0068932000
_diffrn_orient_matrix_UB_12      0.0163509000
_diffrn_orient_matrix_UB_13      -0.0310937000
_diffrn_orient_matrix_UB_21      0.0452512000
_diffrn_orient_matrix_UB_22      -0.0577646000
_diffrn_orient_matrix_UB_23      -0.0065617000
_diffrn_orient_matrix_UB_31      -0.0961863000
_diffrn_orient_matrix_UB_32      -0.0822705000
_diffrn_orient_matrix_UB_33      -0.0058803000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0663
_diffrn_reflns_Laue_measured_fraction_full 0.864
_diffrn_reflns_Laue_measured_fraction_max 0.848
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            85991
_diffrn_reflns_point_group_measured_fraction_full 0.864
_diffrn_reflns_point_group_measured_fraction_max 0.848
_diffrn_reflns_theta_full        72.000
_diffrn_reflns_theta_max         73.236
_diffrn_reflns_theta_min         2.781
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.018
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.89a (Rigaku Oxford Diffraction, 2020)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_description       plate
_exptl_crystal_F_000             4228
_exptl_crystal_size_max          0.251
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.041
_refine_diff_density_max         1.732
_refine_diff_density_min         -1.328
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2244
_refine_ls_number_reflns         40878
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.1352
_refine_ls_R_factor_gt           0.1086
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3049
_refine_ls_wR_factor_ref         0.3255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                27649
_reflns_number_total             40878
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00610k2.cif
_cod_data_source_block           L4Eu2Zn
_cod_depositor_comments
'Adding full bibliography for 7715330--7715332.cif.'
_cod_database_code               7715332
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C212 H251 Eu2 F24 N36 O41 S8 Zn'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.821
_shelx_estimated_absorpt_t_min   0.366
_reflns_odcompleteness_completeness 86.27
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1A-F3 = C1A-F4 = C1A-F5
 1.33 with sigma of 0.02
 C1A-S9
 1.82 with sigma of 0.02
 S9-O7 = S9-O8 = S9-O9
 1.44 with sigma of 0.02
 C1TA-F1TA = C1TA-F2TA = C1TA-F3TA
 1.33 with sigma of 0.02
 C1TA-S1A
 1.82 with sigma of 0.02
 S1A-O1TA = S1A-O2TA = S1A-O3TA
 1.44 with sigma of 0.02
 C4T-F10T = C4T-F11T = C4T-F12T
 1.33 with sigma of 0.02
 C4T-S4
 1.82 with sigma of 0.02
 S4-O10T = S4-O11T = S4-O12T
 1.44 with sigma of 0.02
 C6T-F16T = C6T-F17T = C6T-F18T
 1.33 with sigma of 0.02
 C6T-S6
 1.82 with sigma of 0.02
 S6-O16T = S6-O17T = S6-O18T
 1.44 with sigma of 0.02
 C7T-F19T = C7T-F20T = C7T-F21T
 1.33 with sigma of 0.02
 C7T-S7
 1.72 with sigma of 0.02
 S7-O19T = S7-O20T = S7-O21T
 1.44 with sigma of 0.02
 C8T-S8
 1.82 with sigma of 0.02
 C6T-F18T
 1.33 with sigma of 0.02
 C6T-F16T
 1.33 with sigma of 0.02
 C6T-F17T
 1.33 with sigma of 0.02
 S5-C5T
 1.8 with sigma of 0.02
 C8T-F24T
 1.33 with sigma of 0.02
 C8T-F22T
 1.33 with sigma of 0.02
 C8T-F23T
 1.33 with sigma of 0.02
 C1A-O8
 2.56 with sigma of 0.04
 C1A-O9
 2.57 with sigma of 0.04
 C1A-O7
 2.58 with sigma of 0.04
 C1TA-O2TA
 2.56 with sigma of 0.04
 C1TA-O3TA
 2.57 with sigma of 0.04
 C1TA-O1TA
 2.58 with sigma of 0.04
 C4T-O11T
 2.56 with sigma of 0.04
 C4T-O12T
 2.57 with sigma of 0.04
 C4T-O10T
 2.58 with sigma of 0.04
 C6T-O17T
 2.56 with sigma of 0.04
 C6T-O18T
 2.57 with sigma of 0.04
 C6T-O16T
 2.58 with sigma of 0.04
 C7T-O20T
 2.56 with sigma of 0.04
 C7T-O21T
 2.57 with sigma of 0.04
 C7T-O19T
 2.58 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uiso(C2T) = Uiso(C1A)
Uiso(F4) = Uiso(F5T) = Uiso(F3) = Uiso(F6T) = Uiso(F5) = Uiso(F4T)
Uiso(O9) = Uiso(O5T) = Uiso(O7) = Uiso(O6T) = Uiso(O8) = Uiso(O4T)
Uiso(S2) = Uiso(S9)
Uiso(F2TA) = Uiso(F2TB) = Uiso(F1TB) = Uiso(F1TA) = Uiso(F3TA) = Uiso(F3TB)
Uiso(O1TB) = Uiso(O1TA) = Uiso(O2TA) = Uiso(O2TB) = Uiso(O3TA) = Uiso(O3TB)
Uiso(C1TA) = Uiso(C1TB)
Uiso(S1A) = Uiso(S1B)
4. Rigid body (RIGU) restrains
 C4S, C2S, C3S, O1S
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
{C1TB, F1TB, F2TB, F3TB, S1B, O1TB, O2TB, O3TB} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C1TA, F1TA, F2TA, F3TA, S1A, O1TA, O2TA, O3TA}
{C1A, F3, F4, F5, S9, O7, O8, O9} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C2T, F4T, F5T, F6T, S2, O4T, O5T, O6T}
6. Others
 Sof(C1A)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(S9)=Sof(O7)=Sof(O8)=Sof(O9)=1-FVAR(1)
 Sof(C2T)=Sof(F4T)=Sof(F5T)=Sof(F6T)=Sof(S2)=Sof(O4T)=Sof(O5T)=Sof(O6T)=FVAR(1)
 Sof(C1TB)=Sof(F1TB)=Sof(F2TB)=Sof(F3TB)=Sof(S1B)=Sof(O1TB)=Sof(O2TB)=
 Sof(O3TB)=1-FVAR(2)
 Sof(C1TA)=Sof(F1TA)=Sof(F2TA)=Sof(F3TA)=Sof(S1A)=Sof(O1TA)=Sof(O2TA)=
 Sof(O3TA)=FVAR(2)
 Fixed Sof: S8(0.5) F22T(0.5) F23T(0.5) F24T(0.5) O23T(0.5) O24T(0.5)
 O26T(0.5) C8T(0.5) C7T(0.5) F19T(0.5) F20T(0.5) F21T(0.5) S7(0.5) O19T(0.5)
 O20T(0.5) O21T(0.5)
7.a Riding coordinates:
 C3S(H3SA,H3SB,H3SC), C4S(H4SA,H4SB,H4SC)
7.b Ternary CH refined with riding coordinates:
 C2S(H2S)
7.c Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C13B(H13C,H13D), C13C(H13E,H13F), C33C(H33A,H33C), C33(H33D,
 H33E), C47C(H47A,H47B), C47B(H47C,H47D), C49(H49A,H49B), C49C(H49C,H49D),
 C49B(H49E,H49F)
7.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C1B(H1B), C1C(H1C), C3C(H3C), C3B(H3B), C3(H3), C4C(H4C), C4(H4),
 C4B(H4B), C8B(H8B), C8(H8), C8C(H8C), C10B(H10B), C10(H10), C10C(H10C),
 C11(H11), C11C(H11C), C11B(H11B), C15B(H15B), C15C(H15C), C15(H15), C19C(H19C),
  C19B(H19B), C19(H19), C20B(H20B), C20C(H20C), C20(H20), C22B(H22B),
 C22C(H22C), C22(H22), C23C(H23C), C23(H23), C23B(H23B), C24B(H24B), C24(H24),
 C24C(H24C), C28B(H28B), C28C(H28C), C28(H28), C30(H30), C30B(H30B), C30C(H30C),
  C31C(H31C), C31(H31), C31B(H31B), C33B(H33B), C35(H35), C35C(H35C),
 C35B(H35B), C39(H39), C39C(H39C), C39B(H39B), C40(H40), C40C(H40C), C40B(H40B),
  C42C(H42C), C42B(H42B), C42(H42), C43(H43), C43B(H43B), C43C(H43C),
 C44C(H44C), C44(H44), C44B(H44B), C47(H47)
7.e Idealised Me refined as rotating group:
 C48(H48A,H48B,H48C), C48B(H48D,H48E,H48F), C48C(H48G,H48H,H48I), C50B(H50A,
 H50B,H50C), C50C(H50D,H50E,H50F), C50(H50G,H50H,H50I), C51(H51A,H51B,H51C),
 C51B(H51D,H51E,H51F), C51C(H51G,H51H,H51I), C52C(H52A,H52B,H52C), C52(H52D,
 H52E,H52F), C52B(H52G,H52H,H52I), C53B(H53A,H53B,H53C), C53C(H53D,H53E,H53F),
 C53(H53G,H53H,H53I), C54B(H54A,H54B,H54C), C54(H54D,H54E,H54F), C54C(H54G,H54H,
 H54I), C55(H55A,H55B,H55C), C55C(H55D,H55E,H55F), C55B(H55G,H55H,H55I)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 1007 electrons were 
found in a volume of 3947Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
1[CF3SO3], 12[C3H8O] per Formula Unit 
which account for 962 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.587
_oxdiff_exptl_absorpt_empirical_full_min 0.612
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.38666(3) 0.76012(3) 0.71703(2) 0.04952(15) Uani 1 1 d . . . . .
Eu2 Eu 0.36118(3) 0.80968(3) 0.90051(2) 0.05096(15) Uani 1 1 d . . . . .
Zn1 Zn 0.36375(7) 0.68642(6) 0.53704(2) 0.0500(2) Uani 1 1 d . . . . .
O1 O 0.3028(4) 0.8809(4) 0.93137(12) 0.0648(15) Uani 1 1 d . . . . .
O1C O 0.4794(4) 0.8749(4) 0.94007(12) 0.0620(14) Uani 1 1 d . . . . .
O1B O 0.2981(4) 0.7005(4) 0.93103(13) 0.0672(15) Uani 1 1 d . . . . .
N1C N 0.2448(5) 0.5693(5) 0.51279(16) 0.0636(19) Uani 1 1 d . . . . .
N1 N 0.4656(5) 0.6754(5) 0.51353(17) 0.069(2) Uani 1 1 d . . . . .
N1B N 0.3510(4) 0.7846(4) 0.51298(14) 0.0534(15) Uani 1 1 d . . . . .
N2 N 0.4894(5) 0.7860(5) 0.55813(16) 0.0652(19) Uani 1 1 d . . . . .
N2C N 0.3531(5) 0.5796(4) 0.55904(13) 0.0522(15) Uani 1 1 d . . . . .
N2B N 0.2680(4) 0.7126(4) 0.55604(13) 0.0455(13) Uani 1 1 d . . . . .
N3C N 0.2803(6) 0.4371(5) 0.56572(19) 0.074(2) Uani 1 1 d . . . . .
N3 N 0.6427(6) 0.8644(6) 0.5581(3) 0.106(3) Uani 1 1 d . . . . .
N3B N 0.1854(4) 0.7825(4) 0.55766(15) 0.0584(16) Uani 1 1 d . . . . .
N4 N 0.2806(5) 0.7687(4) 0.67452(13) 0.0570(17) Uani 1 1 d . . . . .
N4C N 0.5220(5) 0.8483(4) 0.68878(16) 0.0667(19) Uani 1 1 d . . . . .
N4B N 0.3705(5) 0.6220(4) 0.68874(15) 0.0612(18) Uani 1 1 d . . . . .
N5C N 0.6429(5) 0.9711(6) 0.68209(18) 0.082(2) Uani 1 1 d . . . . .
N5B N 0.3756(7) 0.4957(5) 0.69136(18) 0.078(2) Uani 1 1 d . . . . .
N5 N 0.1531(7) 0.7796(6) 0.66408(16) 0.077(2) Uani 1 1 d . . . . .
N6B N 0.5169(6) 0.7175(5) 0.72794(16) 0.0669(19) Uani 1 1 d . . . . .
N6C N 0.4364(5) 0.9267(5) 0.71325(14) 0.0633(18) Uani 1 1 d . . . . .
N6 N 0.2111(4) 0.6434(4) 0.70858(13) 0.0493(15) Uani 1 1 d . . . . .
N7B N 0.5157(5) 0.8527(4) 0.75825(16) 0.067(2) Uani 1 1 d . . . . .
N7 N 0.3290(4) 0.6405(4) 0.75120(13) 0.0519(15) Uani 1 1 d . . . . .
N7C N 0.3027(5) 0.8254(4) 0.74289(13) 0.0594(17) Uani 1 1 d . . . . .
N8B N 0.6699(6) 0.9353(6) 0.7642(2) 0.089(3) Uani 1 1 d . . . . .
N8C N 0.2237(6) 0.9005(5) 0.73446(17) 0.075(2) Uani 1 1 d . . . . .
N8 N 0.2584(5) 0.4934(4) 0.74877(14) 0.0600(17) Uani 1 1 d . . . . .
N9 N 0.5072(4) 0.8921(4) 0.87660(14) 0.0538(15) Uani 1 1 d . . . . .
N9C N 0.3137(5) 0.6662(4) 0.86837(15) 0.0585(17) Uani 1 1 d . . . . .
N9B N 0.2697(5) 0.8448(4) 0.86168(15) 0.0614(17) Uani 1 1 d . . . . .
N10B N 0.1409(6) 0.8458(6) 0.8422(2) 0.086(2) Uani 1 1 d . . . . .
N10 N 0.6367(5) 1.0109(5) 0.86932(16) 0.0679(19) Uani 1 1 d . . . . .
N10C N 0.3127(6) 0.5374(4) 0.85976(18) 0.077(2) Uani 1 1 d . . . . .
N11C N 0.4577(6) 0.7295(4) 0.91016(15) 0.0663(19) Uani 1 1 d . . . . .
N11 N 0.4423(5) 0.9830(4) 0.90477(14) 0.0613(18) Uani 1 1 d . . . . .
N11B N 0.1834(5) 0.7260(5) 0.89727(16) 0.0685(19) Uani 1 1 d . . . . .
N12B N 0.2082(7) 0.6568(6) 0.9642(2) 0.099(3) Uani 1 1 d . . . . .
N12C N 0.6300(5) 0.9166(5) 0.95562(18) 0.075(2) Uani 1 1 d . . . . .
N12 N 0.2470(6) 0.9782(6) 0.9286(2) 0.091(3) Uani 1 1 d . . . . .
C1 C 0.4476(7) 0.6128(6) 0.4920(2) 0.074(3) Uani 1 1 d . . . . .
H1 H 0.385966 0.579661 0.482677 0.089 Uiso 1 1 calc R U . . .
C1B C 0.4011(6) 0.8224(6) 0.49254(17) 0.060(2) Uani 1 1 d . . . . .
H1B H 0.435745 0.797100 0.485350 0.072 Uiso 1 1 calc R U . . .
C1C C 0.1891(7) 0.5728(7) 0.4918(2) 0.074(3) Uani 1 1 d . . . . .
H1C H 0.210011 0.626273 0.483263 0.089 Uiso 1 1 calc R U . . .
C2C C 0.1028(9) 0.5043(9) 0.4814(3) 0.101(4) Uani 1 1 d . . . . .
C2B C 0.4049(6) 0.8976(6) 0.48118(19) 0.067(2) Uani 1 1 d . . . . .
C2 C 0.5152(10) 0.5950(9) 0.4828(3) 0.105(4) Uani 1 1 d . . . . .
C3C C 0.0723(9) 0.4308(8) 0.4958(3) 0.110(4) Uani 1 1 d . . . . .
H3C H 0.012003 0.382890 0.490091 0.132 Uiso 1 1 calc R U . . .
C3B C 0.3610(7) 0.9369(7) 0.4933(3) 0.092(3) Uani 1 1 d . . . . .
H3B H 0.364275 0.989419 0.486909 0.110 Uiso 1 1 calc R U . . .
C3 C 0.6040(10) 0.6427(9) 0.4972(4) 0.122(6) Uani 1 1 d . . . . .
H3 H 0.650809 0.629996 0.492079 0.146 Uiso 1 1 calc R U . . .
C4C C 0.1275(7) 0.4248(7) 0.5185(2) 0.085(3) Uiso 1 1 d . . . . .
H4C H 0.106480 0.374106 0.528436 0.101 Uiso 1 1 calc R U . . .
C4 C 0.6267(8) 0.7079(9) 0.5187(3) 0.111(5) Uani 1 1 d . . . . .
H4 H 0.688033 0.741165 0.528189 0.133 Uiso 1 1 calc R U . . .
C4B C 0.3119(6) 0.9007(6) 0.5149(2) 0.072(2) Uani 1 1 d . . . . .
H4B H 0.282855 0.929381 0.523769 0.086 Uiso 1 1 calc R U . . .
C5 C 0.5522(8) 0.7237(7) 0.5262(3) 0.091(4) Uani 1 1 d . . . . .
C5B C 0.3046(6) 0.8234(5) 0.52384(17) 0.0576(19) Uani 1 1 d . . . . .
C5C C 0.2147(7) 0.4968(6) 0.5257(2) 0.071(2) Uani 1 1 d . . . . .
C6B C 0.2524(5) 0.7754(5) 0.54595(17) 0.0545(18) Uani 1 1 d . . . . .
C6 C 0.5624(7) 0.7910(6) 0.5481(2) 0.074(3) Uani 1 1 d . . . . .
C6C C 0.2800(6) 0.5014(5) 0.5498(2) 0.061(2) Uani 1 1 d . . . . .
C7C C 0.4041(6) 0.5669(6) 0.58187(17) 0.0541(19) Uani 1 1 d . . . . .
C7B C 0.2045(5) 0.6738(5) 0.57416(17) 0.0518(18) Uani 1 1 d . . . . .
C7 C 0.5210(7) 0.8618(6) 0.5758(2) 0.072(2) Uani 1 1 d . . . . .
C8B C 0.1848(5) 0.6018(5) 0.58883(15) 0.0500(17) Uani 1 1 d . . . . .
H8B H 0.220663 0.572146 0.588013 0.060 Uiso 1 1 calc R U . . .
C8 C 0.4695(7) 0.8901(5) 0.58985(17) 0.072(3) Uani 1 1 d . . . . .
H8 H 0.404579 0.854285 0.589127 0.087 Uiso 1 1 calc R U . . .
C8C C 0.4871(6) 0.6275(7) 0.59837(18) 0.066(2) Uani 1 1 d . . . . .
H8C H 0.516652 0.688505 0.595709 0.079 Uiso 1 1 calc R U . . .
C9C C 0.5246(7) 0.5944(7) 0.61892(18) 0.069(3) Uani 1 1 d . . . . .
C9 C 0.5173(8) 0.9749(5) 0.6054(2) 0.085(3) Uani 1 1 d . . . . .
C9B C 0.1145(5) 0.5731(6) 0.60445(18) 0.061(2) Uani 1 1 d . . . . .
C10B C 0.0640(6) 0.6204(6) 0.60585(19) 0.066(2) Uani 1 1 d . . . . .
H10B H 0.015022 0.600571 0.616914 0.079 Uiso 1 1 calc R U . . .
C10 C 0.6149(9) 1.0215(6) 0.6066(3) 0.097(4) Uani 1 1 d . . . . .
H10 H 0.648257 1.076576 0.617947 0.116 Uiso 1 1 calc R U . . .
C10C C 0.4725(9) 0.5025(8) 0.6224(2) 0.085(3) Uani 1 1 d . . . . .
H10C H 0.496053 0.480940 0.637200 0.102 Uiso 1 1 calc R U . . .
C11 C 0.6650(10) 0.9901(9) 0.5918(4) 0.130(6) Uani 1 1 d . . . . .
H11 H 0.730235 1.023704 0.592798 0.156 Uiso 1 1 calc R U . . .
C11C C 0.3946(10) 0.4456(8) 0.6069(2) 0.088(3) Uani 1 1 d . . . . .
H11C H 0.365398 0.384800 0.609774 0.105 Uiso 1 1 calc R U . . .
C11B C 0.0823(6) 0.6919(7) 0.5922(2) 0.069(2) Uani 1 1 d . . . . .
H11B H 0.047966 0.722754 0.593822 0.083 Uiso 1 1 calc R U . . .
C12B C 0.1532(5) 0.7193(5) 0.57565(17) 0.0535(18) Uani 1 1 d . . . . .
C12C C 0.3554(7) 0.4772(5) 0.5860(2) 0.065(2) Uani 1 1 d . . . . .
C12 C 0.6169(7) 0.9099(6) 0.5759(3) 0.088(4) Uani 1 1 d . . . . .
C13 C 0.4664(10) 1.0149(6) 0.6173(2) 0.106(4) Uani 1 1 d . . . . .
H13A H 0.449212 1.044546 0.602553 0.128 Uiso 1 1 calc R U . . .
H13B H 0.508881 1.061339 0.632471 0.128 Uiso 1 1 calc R U . . .
C13B C 0.0824(6) 0.4868(6) 0.61789(19) 0.067(2) Uani 1 1 d . . . . .
H13C H 0.055483 0.436570 0.602951 0.080 Uiso 1 1 calc R U . . .
H13D H 0.033411 0.479642 0.629328 0.080 Uiso 1 1 calc R U . . .
C13C C 0.6175(7) 0.6549(7) 0.6354(2) 0.079(3) Uani 1 1 d . . . . .
H13E H 0.665405 0.666566 0.623067 0.094 Uiso 1 1 calc R U . . .
H13F H 0.628757 0.624208 0.650974 0.094 Uiso 1 1 calc R U . . .
C14C C 0.6288(6) 0.7444(7) 0.64776(18) 0.066(2) Uani 1 1 d . . . . .
C14 C 0.3773(9) 0.9527(6) 0.62951(19) 0.084(3) Uani 1 1 d . . . . .
C14B C 0.1629(6) 0.4845(5) 0.63675(18) 0.059(2) Uani 1 1 d . . . . .
C15B C 0.2285(6) 0.5601(5) 0.65211(16) 0.0544(19) Uani 1 1 d . . . . .
H15B H 0.227664 0.614317 0.650218 0.065 Uiso 1 1 calc R U . . .
C15C C 0.5634(6) 0.7480(6) 0.66202(17) 0.063(2) Uani 1 1 d . . . . .
H15C H 0.508923 0.695300 0.663996 0.076 Uiso 1 1 calc R U . . .
C15 C 0.3783(8) 0.8891(5) 0.64632(16) 0.074(3) Uani 1 1 d . . . . .
H15 H 0.432644 0.883434 0.650156 0.088 Uiso 1 1 calc R U . . .
C16 C 0.3010(8) 0.8360(5) 0.65700(18) 0.068(3) Uani 1 1 d . . . . .
C16C C 0.5766(6) 0.8295(7) 0.67368(19) 0.066(2) Uani 1 1 d . . . . .
C16B C 0.2956(7) 0.5573(5) 0.6703(2) 0.063(2) Uani 1 1 d . . . . .
C17C C 0.5645(6) 0.9365(6) 0.69347(17) 0.065(2) Uani 1 1 d . . . . .
C17B C 0.4162(6) 0.5847(6) 0.7002(2) 0.063(2) Uani 1 1 d . . . . .
C17 C 0.1931(7) 0.7354(6) 0.67752(16) 0.059(2) Uani 1 1 d . . . . .
C18B C 0.3001(8) 0.4756(5) 0.6722(2) 0.073(3) Uani 1 1 d . . . . .
C18C C 0.6525(6) 0.9052(7) 0.6693(2) 0.078(3) Uani 1 1 d . . . . .
C18 C 0.2198(9) 0.8435(6) 0.6508(2) 0.078(3) Uani 1 1 d . . . . .
C19C C 0.7206(7) 0.9022(9) 0.6561(3) 0.106(4) Uani 1 1 d . . . . .
H19C H 0.777300 0.954194 0.655538 0.128 Uiso 1 1 calc R U . . .
C19B C 0.2323(8) 0.3982(6) 0.6554(2) 0.082(3) Uani 1 1 d . . . . .
H19B H 0.233940 0.343848 0.655757 0.098 Uiso 1 1 calc R U . . .
C19 C 0.2180(10) 0.9061(8) 0.6333(2) 0.093(4) Uani 1 1 d . . . . .
H19 H 0.163439 0.910713 0.628613 0.112 Uiso 1 1 calc R U . . .
C20B C 0.1642(7) 0.4048(5) 0.6387(2) 0.076(3) Uani 1 1 d . . . . .
H20B H 0.116040 0.353054 0.627965 0.092 Uiso 1 1 calc R U . . .
C20C C 0.7042(8) 0.8203(10) 0.6435(3) 0.106(4) Uani 1 1 d . . . . .
H20C H 0.746168 0.817764 0.631945 0.127 Uiso 1 1 calc R U . . .
C20 C 0.2966(11) 0.9586(7) 0.6236(2) 0.097(4) Uani 1 1 d . . . . .
H20 H 0.297352 1.002262 0.612167 0.116 Uiso 1 1 calc R U . . .
C21 C 0.1495(6) 0.6573(6) 0.69233(17) 0.059(2) Uani 1 1 d . . . . .
C21C C 0.5185(8) 0.9825(7) 0.7050(2) 0.080(3) Uani 1 1 d . . . . .
C21B C 0.5020(7) 0.6370(7) 0.7186(2) 0.081(3) Uani 1 1 d . . . . .
C22B C 0.5712(10) 0.6126(9) 0.7259(3) 0.110(4) Uani 1 1 d . . . . .
H22B H 0.562115 0.555514 0.719770 0.132 Uiso 1 1 calc R U . . .
C22C C 0.5520(9) 1.0704(7) 0.7074(3) 0.125(6) Uani 1 1 d . . . . .
H22C H 0.612360 1.108349 0.703278 0.150 Uiso 1 1 calc R U . . .
C22 C 0.0555(7) 0.5957(7) 0.68748(19) 0.070(2) Uani 1 1 d . . . . .
H22 H 0.013170 0.606438 0.675634 0.084 Uiso 1 1 calc R U . . .
C23C C 0.4961(15) 1.1047(9) 0.7160(4) 0.176(9) Uani 1 1 d . . . . .
H23C H 0.517118 1.166546 0.716865 0.211 Uiso 1 1 calc R U . . .
C23 C 0.0252(7) 0.5177(7) 0.7005(2) 0.073(2) Uani 1 1 d . . . . .
H23 H -0.038721 0.475681 0.697622 0.087 Uiso 1 1 calc R U . . .
C23B C 0.6519(10) 0.6734(12) 0.7420(3) 0.124(5) Uani 1 1 d . . . . .
H23B H 0.700544 0.659317 0.746113 0.149 Uiso 1 1 calc R U . . .
C24B C 0.6636(8) 0.7531(9) 0.7522(3) 0.098(4) Uani 1 1 d . . . . .
H24B H 0.716991 0.793166 0.764724 0.117 Uiso 1 1 calc R U . . .
C24 C 0.0870(7) 0.5008(6) 0.71745(19) 0.067(2) Uani 1 1 d . . . . .
H24 H 0.067179 0.447819 0.726185 0.080 Uiso 1 1 calc R U . . .
C24C C 0.4112(9) 1.0495(7) 0.7230(3) 0.101(4) Uani 1 1 d . . . . .
H24C H 0.372146 1.071946 0.728619 0.122 Uiso 1 1 calc R U . . .
C25C C 0.3830(8) 0.9584(6) 0.7219(2) 0.076(3) Uani 1 1 d . . . . .
C25B C 0.5947(7) 0.7734(7) 0.7436(2) 0.075(3) Uani 1 1 d . . . . .
C25 C 0.1793(6) 0.5656(5) 0.72097(16) 0.0548(19) Uani 1 1 d . . . . .
C26 C 0.2547(6) 0.5652(5) 0.73961(16) 0.0507(18) Uani 1 1 d . . . . .
C26C C 0.3023(7) 0.8944(6) 0.73267(19) 0.065(2) Uani 1 1 d . . . . .
C26B C 0.5974(7) 0.8572(6) 0.75512(19) 0.068(2) Uani 1 1 d . . . . .
C27 C 0.3795(6) 0.6155(5) 0.76974(17) 0.056(2) Uani 1 1 d . . . . .
C27C C 0.2171(6) 0.7819(6) 0.75360(17) 0.062(2) Uani 1 1 d . . . . .
C27B C 0.5420(7) 0.9361(6) 0.7733(2) 0.075(3) Uani 1 1 d . . . . .
C28B C 0.4865(7) 0.9673(6) 0.78372(18) 0.068(2) Uani 1 1 d . . . . .
H28B H 0.421311 0.931214 0.781769 0.082 Uiso 1 1 calc R U . . .
C28C C 0.1835(6) 0.7068(6) 0.76807(16) 0.0559(19) Uani 1 1 d . . . . .
H28C H 0.218725 0.677532 0.772577 0.067 Uiso 1 1 calc R U . . .
C28 C 0.4578(6) 0.6676(6) 0.78870(17) 0.057(2) Uani 1 1 d . . . . .
H28 H 0.483778 0.730133 0.790681 0.069 Uiso 1 1 calc R U . . .
C29 C 0.4973(6) 0.6267(6) 0.80470(17) 0.061(2) Uani 1 1 d . . . . .
C29B C 0.5283(8) 1.0521(6) 0.7969(2) 0.075(3) Uani 1 1 d . . . . .
C29C C 0.0984(6) 0.6785(6) 0.77522(18) 0.065(2) Uani 1 1 d . . . . .
C30 C 0.4560(8) 0.5335(7) 0.8017(2) 0.079(3) Uani 1 1 d . . . . .
H30 H 0.485611 0.506518 0.812277 0.095 Uiso 1 1 calc R U . . .
C30B C 0.6274(12) 1.1065(8) 0.7992(3) 0.119(5) Uani 1 1 d . . . . .
H30B H 0.656443 1.164995 0.808279 0.142 Uiso 1 1 calc R U . . .
C30C C 0.0459(7) 0.7231(8) 0.7687(2) 0.086(3) Uani 1 1 d . . . . .
H30C H -0.014115 0.700313 0.774051 0.104 Uiso 1 1 calc R U . . .
C31C C 0.0781(8) 0.7953(8) 0.7554(3) 0.089(3) Uani 1 1 d . . . . .
H31C H 0.042294 0.824147 0.751172 0.107 Uiso 1 1 calc R U . . .
C31 C 0.3740(8) 0.4791(7) 0.7840(2) 0.077(3) Uani 1 1 d . . . . .
H31 H 0.346173 0.416464 0.782897 0.092 Uiso 1 1 calc R U . . .
C31B C 0.6791(9) 1.0736(7) 0.7881(3) 0.116(5) Uani 1 1 d . . . . .
H31B H 0.744154 1.109518 0.789255 0.139 Uiso 1 1 calc R U . . .
C32B C 0.6377(7) 0.9895(7) 0.7756(3) 0.089(3) Uani 1 1 d . . . . .
C32C C 0.1696(7) 0.8282(7) 0.7477(2) 0.071(3) Uani 1 1 d . . . . .
C32 C 0.3345(6) 0.5220(5) 0.76767(18) 0.059(2) Uani 1 1 d . . . . .
C33B C 0.4724(10) 1.0905(6) 0.8087(2) 0.103(4) Uani 1 1 d . . . . .
H33B H 0.494042 1.152456 0.811118 0.124 Uiso 1 1 calc R U . . .
C33C C 0.0523(7) 0.5910(7) 0.7897(2) 0.085(3) Uani 1 1 d . . . . .
H33A H 0.009307 0.594851 0.801927 0.102 Uiso 1 1 calc R U . . .
H33C H 0.015657 0.540481 0.775166 0.102 Uiso 1 1 calc R U . . .
C33 C 0.5846(7) 0.6774(7) 0.8250(2) 0.073(3) Uani 1 1 d . . . . .
H33D H 0.637554 0.682706 0.815783 0.088 Uiso 1 1 calc R U . . .
H33E H 0.581173 0.643541 0.841292 0.088 Uiso 1 1 calc R U . . .
C34B C 0.3824(8) 1.0268(6) 0.8162(2) 0.078(3) Uani 1 1 d . . . . .
C34C C 0.1229(6) 0.5742(6) 0.80725(19) 0.067(2) Uani 1 1 d . . . . .
C34 C 0.6030(6) 0.7721(6) 0.83579(18) 0.064(2) Uani 1 1 d . . . . .
C35 C 0.5394(6) 0.7805(6) 0.84990(18) 0.059(2) Uani 1 1 d . . . . .
H35 H 0.483497 0.729802 0.852268 0.070 Uiso 1 1 calc R U . . .
C35C C 0.1885(6) 0.6379(5) 0.82846(19) 0.062(2) Uani 1 1 d . . . . .
H35C H 0.191423 0.694123 0.831322 0.075 Uiso 1 1 calc R U . . .
C35B C 0.3790(7) 0.9668(6) 0.83524(18) 0.068(2) Uani 1 1 d . . . . .
H35B H 0.433462 0.965449 0.842855 0.082 Uiso 1 1 calc R U . . .
C36B C 0.2933(7) 0.9092(5) 0.84262(18) 0.062(2) Uani 1 1 d . . . . .
C36 C 0.5574(6) 0.8640(5) 0.86069(17) 0.059(2) Uani 1 1 d . . . . .
C36C C 0.2488(6) 0.6191(5) 0.84517(18) 0.061(2) Uani 1 1 d . . . . .
C37B C 0.1772(6) 0.8078(6) 0.86106(19) 0.063(2) Uani 1 1 d . . . . .
C37C C 0.3496(7) 0.6171(5) 0.87644(19) 0.067(2) Uani 1 1 d . . . . .
C37 C 0.5586(6) 0.9794(5) 0.88109(16) 0.058(2) Uani 1 1 d . . . . .
C38 C 0.6379(6) 0.9374(6) 0.85563(19) 0.069(2) Uani 1 1 d . . . . .
C38C C 0.2462(7) 0.5374(5) 0.84003(19) 0.066(2) Uani 1 1 d . . . . .
C38B C 0.2139(8) 0.9080(7) 0.8312(2) 0.075(3) Uani 1 1 d . . . . .
C39 C 0.7025(8) 0.9313(8) 0.8405(2) 0.088(3) Uani 1 1 d . . . . .
H39 H 0.757034 0.981469 0.836914 0.106 Uiso 1 1 calc R U . . .
C39C C 0.1845(8) 0.4720(6) 0.8183(2) 0.084(3) Uani 1 1 d . . . . .
H39C H 0.184743 0.417503 0.814515 0.100 Uiso 1 1 calc R U . . .
C39B C 0.2165(10) 0.9670(8) 0.8121(3) 0.097(4) Uani 1 1 d . . . . .
H39B H 0.161354 0.967317 0.804646 0.116 Uiso 1 1 calc R U . . .
C40 C 0.6799(7) 0.8456(8) 0.8310(2) 0.087(3) Uani 1 1 d . . . . .
H40 H 0.721173 0.837556 0.820424 0.104 Uiso 1 1 calc R U . . .
C40C C 0.1237(7) 0.4932(6) 0.8029(2) 0.077(3) Uani 1 1 d . . . . .
H40C H 0.079700 0.450381 0.788507 0.092 Uiso 1 1 calc R U . . .
C40B C 0.2982(10) 1.0235(8) 0.8045(2) 0.093(4) Uani 1 1 d . . . . .
H40B H 0.299747 1.062254 0.790916 0.112 Uiso 1 1 calc R U . . .
C41B C 0.1288(6) 0.7353(6) 0.8770(2) 0.069(2) Uani 1 1 d . . . . .
C41 C 0.5306(6) 1.0321(5) 0.89867(18) 0.062(2) Uani 1 1 d . . . . .
C41C C 0.4231(8) 0.6448(6) 0.9011(2) 0.078(3) Uani 1 1 d . . . . .
C42C C 0.4515(10) 0.5906(8) 0.9151(3) 0.101(4) Uani 1 1 d . . . . .
H42C H 0.426283 0.529977 0.908371 0.121 Uiso 1 1 calc R U . . .
C42B C 0.0320(7) 0.6774(8) 0.8721(3) 0.091(3) Uani 1 1 d . . . . .
H42B H -0.006421 0.682628 0.857049 0.109 Uiso 1 1 calc R U . . .
C42 C 0.5786(7) 1.1167(6) 0.9096(2) 0.075(3) Uani 1 1 d . . . . .
H42 H 0.637832 1.151394 0.904200 0.089 Uiso 1 1 calc R U . . .
C43 C 0.5500(8) 1.1553(6) 0.9273(2) 0.077(3) Uani 1 1 d . . . . .
H43 H 0.590319 1.213778 0.935763 0.093 Uiso 1 1 calc R U . . .
C43B C -0.0036(8) 0.6134(9) 0.8899(3) 0.115(5) Uani 1 1 d . . . . .
H43B H -0.067837 0.572662 0.887153 0.138 Uiso 1 1 calc R U . . .
C43C C 0.5166(9) 0.6265(8) 0.9388(3) 0.103(4) Uani 1 1 d . . . . .
H43C H 0.536140 0.590451 0.948703 0.123 Uiso 1 1 calc R U . . .
C44C C 0.5526(10) 0.7132(8) 0.9478(3) 0.104(4) Uani 1 1 d . . . . .
H44C H 0.597955 0.739132 0.963970 0.125 Uiso 1 1 calc R U . . .
C44 C 0.4613(8) 1.1104(6) 0.9334(2) 0.075(3) Uani 1 1 d . . . . .
H44 H 0.436841 1.137446 0.945125 0.090 Uiso 1 1 calc R U . . .
C44B C 0.0551(8) 0.6076(7) 0.9124(3) 0.090(3) Uani 1 1 d . . . . .
H44B H 0.030899 0.563779 0.924957 0.108 Uiso 1 1 calc R U . . .
C45 C 0.4068(7) 1.0197(6) 0.92096(18) 0.065(2) Uani 1 1 d . . . . .
C45B C 0.1453(7) 0.6655(7) 0.9155(2) 0.079(3) Uani 1 1 d . . . . .
C45C C 0.5220(7) 0.7633(6) 0.9331(2) 0.071(2) Uani 1 1 d . . . . .
C46 C 0.3145(7) 0.9572(5) 0.92751(18) 0.062(2) Uani 1 1 d . . . . .
C46B C 0.2224(7) 0.6738(5) 0.9376(2) 0.067(2) Uani 1 1 d . . . . .
C46C C 0.5446(8) 0.8566(6) 0.9434(2) 0.074(3) Uani 1 1 d . . . . .
C47C C 0.6390(7) 0.9988(6) 0.9704(2) 0.082(3) Uani 1 1 d . . . . .
H47A H 0.601167 1.019418 0.958917 0.099 Uiso 1 1 calc R U . . .
H47B H 0.704320 1.045692 0.972470 0.099 Uiso 1 1 calc R U . . .
C47B C 0.2863(10) 0.6665(8) 0.9845(2) 0.107(4) Uani 1 1 d . . . . .
H47C H 0.323479 0.644734 0.975142 0.129 Uiso 1 1 calc R U . . .
H47D H 0.262283 0.630461 1.000061 0.129 Uiso 1 1 calc R U . . .
C47 C 0.1556(11) 0.9085(10) 0.9360(3) 0.125(5) Uani 1 1 d . . . . .
H47 H 0.104193 0.871407 0.922294 0.151 Uiso 1 1 calc R U . . .
C48 C 0.1542(12) 0.9039(12) 0.9651(4) 0.189(10) Uani 1 1 d . . . . .
H48A H 0.205828 0.895332 0.973187 0.283 Uiso 1 1 calc R U . . .
H48B H 0.095720 0.854190 0.968336 0.283 Uiso 1 1 calc R U . . .
H48C H 0.160194 0.959053 0.973913 0.283 Uiso 1 1 calc R U . . .
C48B C 0.3484(9) 0.7650(7) 0.9963(2) 0.101(4) Uani 1 1 d . . . . .
H48D H 0.366633 0.801406 0.980769 0.152 Uiso 1 1 calc R U . . .
H48E H 0.403743 0.771463 1.007977 0.152 Uiso 1 1 calc R U . . .
H48F H 0.313890 0.784107 1.007725 0.152 Uiso 1 1 calc R U . . .
C48C C 0.6083(9) 0.9837(7) 0.9988(2) 0.097(4) Uani 1 1 d . . . . .
H48G H 0.543386 0.937865 0.996740 0.145 Uiso 1 1 calc R U . . .
H48H H 0.614706 1.038804 1.007860 0.145 Uiso 1 1 calc R U . . .
H48I H 0.646590 0.964689 1.010312 0.145 Uiso 1 1 calc R U . . .
C49 C 0.2486(10) 1.0577(9) 0.9201(3) 0.114(4) Uani 1 1 d . . . . .
H49A H 0.313413 1.105277 0.921454 0.137 Uiso 1 1 calc R U . . .
H49B H 0.216532 1.077229 0.932705 0.137 Uiso 1 1 calc R U . . .
C49C C 0.7125(9) 0.9082(9) 0.9534(3) 0.110(4) Uani 1 1 d . . . . .
H49C H 0.694507 0.847017 0.945899 0.132 Uiso 1 1 calc R U . . .
H49D H 0.748484 0.920305 0.972285 0.132 Uiso 1 1 calc R U . . .
C49B C 0.1332(15) 0.6534(14) 0.9768(5) 0.189(8) Uiso 1 1 d . . . . .
H49E H 0.098592 0.675532 0.964585 0.227 Uiso 1 1 calc R U . . .
H49F H 0.156062 0.690412 0.995094 0.227 Uiso 1 1 calc R U . . .
C50B C 0.065(2) 0.5485(19) 0.9813(6) 0.274(14) Uiso 1 1 d . . . . .
H50A H 0.041156 0.513019 0.962994 0.411 Uiso 1 1 calc R U . . .
H50B H 0.013999 0.543920 0.990784 0.411 Uiso 1 1 calc R U . . .
H50C H 0.101233 0.526666 0.992764 0.411 Uiso 1 1 calc R U . . .
C50C C 0.7734(12) 0.9741(12) 0.9338(4) 0.160(7) Uani 1 1 d . . . . .
H50D H 0.735126 0.968531 0.916124 0.241 Uiso 1 1 calc R U . . .
H50E H 0.822787 0.960713 0.929909 0.241 Uiso 1 1 calc R U . . .
H50F H 0.800748 1.034642 0.942935 0.241 Uiso 1 1 calc R U . . .
C50 C 0.2006(13) 1.0410(11) 0.8897(4) 0.156(7) Uani 1 1 d . . . . .
H50G H 0.182467 0.980534 0.881960 0.234 Uiso 1 1 calc R U . . .
H50H H 0.243250 1.083070 0.878289 0.234 Uiso 1 1 calc R U . . .
H50I H 0.145456 1.048568 0.889400 0.234 Uiso 1 1 calc R U . . .
C51 C 0.4905(11) 0.5287(10) 0.4576(3) 0.129(6) Uani 1 1 d . . . . .
H51A H 0.424958 0.484756 0.455984 0.194 Uiso 1 1 calc R U . . .
H51B H 0.528413 0.499071 0.459897 0.194 Uiso 1 1 calc R U . . .
H51C H 0.502011 0.559252 0.440660 0.194 Uiso 1 1 calc R U . . .
C51B C 0.4549(8) 0.9295(8) 0.4569(2) 0.091(3) Uani 1 1 d . . . . .
H51D H 0.492605 0.900432 0.454275 0.136 Uiso 1 1 calc R U . . .
H51E H 0.494935 0.993592 0.460277 0.136 Uiso 1 1 calc R U . . .
H51F H 0.410192 0.915447 0.439963 0.136 Uiso 1 1 calc R U . . .
C51C C 0.0455(9) 0.5159(9) 0.4566(3) 0.114(4) Uani 1 1 d . . . . .
H51G H 0.067241 0.579006 0.455320 0.171 Uiso 1 1 calc R U . . .
H51H H -0.019777 0.487082 0.459317 0.171 Uiso 1 1 calc R U . . .
H51I H 0.052225 0.488917 0.439227 0.171 Uiso 1 1 calc R U . . .
C52C C 0.2176(9) 0.3449(6) 0.5628(3) 0.110(4) Uani 1 1 d . . . . .
H52A H 0.161890 0.334532 0.570899 0.164 Uiso 1 1 calc R U . . .
H52B H 0.246979 0.314085 0.572541 0.164 Uiso 1 1 calc R U . . .
H52C H 0.200629 0.322471 0.542824 0.164 Uiso 1 1 calc R U . . .
C52 C 0.7389(7) 0.9031(9) 0.5506(4) 0.137(6) Uani 1 1 d . . . . .
H52D H 0.773402 0.965815 0.557827 0.205 Uiso 1 1 calc R U . . .
H52E H 0.736112 0.896967 0.530182 0.205 Uiso 1 1 calc R U . . .
H52F H 0.770025 0.871738 0.559001 0.205 Uiso 1 1 calc R U . . .
C52B C 0.1455(8) 0.8429(7) 0.5525(2) 0.088(3) Uani 1 1 d . . . . .
H52G H 0.101782 0.820811 0.535117 0.132 Uiso 1 1 calc R U . . .
H52H H 0.195245 0.902247 0.550904 0.132 Uiso 1 1 calc R U . . .
H52I H 0.113109 0.845280 0.568223 0.132 Uiso 1 1 calc R U . . .
C53B C 0.3987(10) 0.4280(8) 0.7010(3) 0.117(5) Uani 1 1 d . . . . .
H53A H 0.434629 0.416979 0.687896 0.176 Uiso 1 1 calc R U . . .
H53B H 0.341646 0.373114 0.701909 0.176 Uiso 1 1 calc R U . . .
H53C H 0.435305 0.448665 0.719702 0.176 Uiso 1 1 calc R U . . .
C53C C 0.7103(9) 1.0656(8) 0.6835(4) 0.145(7) Uani 1 1 d . . . . .
H53D H 0.773176 1.073211 0.686865 0.218 Uiso 1 1 calc R U . . .
H53E H 0.700840 1.098553 0.698754 0.218 Uiso 1 1 calc R U . . .
H53F H 0.701863 1.087842 0.665650 0.218 Uiso 1 1 calc R U . . .
C53 C 0.0573(8) 0.7665(7) 0.6649(3) 0.093(3) Uani 1 1 d . . . . .
H53G H 0.015596 0.724641 0.648922 0.139 Uiso 1 1 calc R U . . .
H53H H 0.057640 0.823268 0.663793 0.139 Uiso 1 1 calc R U . . .
H53I H 0.036114 0.743084 0.682413 0.139 Uiso 1 1 calc R U . . .
C54B C 0.7705(7) 0.9657(10) 0.7621(4) 0.134(6) Uani 1 1 d . . . . .
H54A H 0.775513 0.934435 0.745367 0.201 Uiso 1 1 calc R U . . .
H54B H 0.799080 0.952922 0.778823 0.201 Uiso 1 1 calc R U . . .
H54C H 0.802350 1.029465 0.760660 0.201 Uiso 1 1 calc R U . . .
C54 C 0.1960(7) 0.3999(5) 0.7390(2) 0.076(3) Uani 1 1 d . . . . .
H54D H 0.141233 0.378300 0.748614 0.114 Uiso 1 1 calc R U . . .
H54E H 0.228052 0.365382 0.743034 0.114 Uiso 1 1 calc R U . . .
H54F H 0.176948 0.393406 0.718690 0.114 Uiso 1 1 calc R U . . .
C54C C 0.1929(10) 0.9605(8) 0.7225(3) 0.104(4) Uani 1 1 d . . . . .
H54G H 0.217054 1.014537 0.735419 0.156 Uiso 1 1 calc R U . . .
H54H H 0.125168 0.931439 0.719568 0.156 Uiso 1 1 calc R U . . .
H54I H 0.215889 0.975641 0.704489 0.156 Uiso 1 1 calc R U . . .
C55 C 0.7046(8) 1.1019(6) 0.8674(3) 0.108(4) Uani 1 1 d . . . . .
H55A H 0.745603 1.126854 0.885238 0.162 Uiso 1 1 calc R U . . .
H55B H 0.672854 1.136570 0.863105 0.162 Uiso 1 1 calc R U . . .
H55C H 0.741146 1.103657 0.852392 0.162 Uiso 1 1 calc R U . . .
C55C C 0.3382(11) 0.4641(7) 0.8604(3) 0.111(4) Uani 1 1 d . . . . .
H55D H 0.404440 0.489206 0.866988 0.167 Uiso 1 1 calc R U . . .
H55E H 0.323864 0.433334 0.841524 0.167 Uiso 1 1 calc R U . . .
H55F H 0.302779 0.422233 0.873193 0.167 Uiso 1 1 calc R U . . .
C55B C 0.0423(8) 0.8290(10) 0.8375(3) 0.121(5) Uani 1 1 d . . . . .
H55G H 0.040368 0.880013 0.829962 0.181 Uiso 1 1 calc R U . . .
H55H H 0.017380 0.820090 0.855419 0.181 Uiso 1 1 calc R U . . .
H55I H 0.004929 0.776125 0.824225 0.181 Uiso 1 1 calc R U . . .
O1S O 0.2676(9) 0.3806(7) 0.9182(2) 0.154(4) Uani 1 1 d . . . . .
C2S C 0.1936(16) 0.3888(13) 0.9320(4) 0.166(6) Uani 1 1 d . . . . .
H2S H 0.138794 0.329434 0.932141 0.199 Uiso 1 1 calc R U . . .
C3S C 0.229(2) 0.4315(13) 0.9592(5) 0.228(11) Uani 1 1 d . . . . .
H3SA H 0.262827 0.496247 0.960795 0.342 Uiso 1 1 d R U . . .
H3SB H 0.268657 0.409927 0.968965 0.342 Uiso 1 1 d R U . . .
H3SC H 0.172627 0.411827 0.967695 0.342 Uiso 1 1 d R U . . .
C4S C 0.1656(15) 0.4508(12) 0.9144(5) 0.193(8) Uani 1 1 d . . . . .
H4SA H 0.218370 0.493518 0.906061 0.290 Uiso 1 1 d R U . . .
H4SB H 0.144340 0.482628 0.926581 0.290 Uiso 1 1 d R U . . .
H4SC H 0.115280 0.412938 0.899471 0.290 Uiso 1 1 d R U . . .
S8 S 0.8507(6) 0.7273(6) 0.5905(2) 0.140(3) Uiso 0.5 1 d D . P . .
F22T F 0.7536(18) 0.6018(18) 0.5399(6) 0.218(10) Uiso 0.5 1 d D . P . .
F23T F 0.864(2) 0.614(2) 0.5652(6) 0.232(11) Uiso 0.5 1 d D . P . .
F24T F 0.8619(18) 0.7225(18) 0.5407(6) 0.213(10) Uiso 0.5 1 d D . P . .
O23T O 0.840(3) 0.679(3) 0.6119(9) 0.251(15) Uiso 0.5 1 d . . P . .
O24T O 0.9482(15) 0.7943(15) 0.5969(5) 0.148(7) Uiso 0.5 1 d . . P . .
O26T O 0.7919(15) 0.7694(14) 0.5846(5) 0.144(7) Uiso 0.5 1 d . . P . .
C8T C 0.823(3) 0.6612(19) 0.5575(5) 0.31(4) Uiso 0.5 1 d D . P . .
C7T C 0.715(2) 0.5136(15) 0.7859(6) 0.36(5) Uiso 0.5 1 d D . P . .
F19T F 0.706(2) 0.5125(19) 0.7579(6) 0.231(11) Uiso 0.5 1 d D . P . .
F20T F 0.7198(19) 0.4449(18) 0.7957(6) 0.219(10) Uiso 0.5 1 d D . P . .
F21T F 0.792(3) 0.520(3) 0.7772(9) 0.316(18) Uiso 0.5 1 d D . P . .
S7 S 0.7959(5) 0.6050(5) 0.80715(17) 0.116(2) Uiso 0.5 1 d D . P . .
O19T O 0.8757(9) 0.6084(10) 0.8207(3) 0.097(4) Uiso 0.5 1 d D . P . .
O20T O 0.782(2) 0.584(2) 0.8343(4) 0.252(15) Uiso 0.5 1 d D . P . .
O21T O 0.8215(17) 0.6785(13) 0.7950(5) 0.177(9) Uiso 0.5 1 d D . P . .
S5 S 0.9025(4) 0.2560(4) 0.74759(13) 0.1593(17) Uiso 1 1 d D . . . .
F13T F 0.7682(12) 0.2769(12) 0.7592(4) 0.269(7) Uiso 1 1 d . . . . .
F14T F 0.8095(13) 0.2881(13) 0.7166(5) 0.286(8) Uiso 1 1 d . . . . .
F15T F 0.8639(10) 0.3861(10) 0.7504(3) 0.236(6) Uiso 1 1 d . . . . .
O13T O 0.8448(9) 0.1649(9) 0.7419(3) 0.172(4) Uiso 1 1 d . . . . .
O14T O 0.976(2) 0.3124(19) 0.7659(6) 0.341(13) Uiso 1 1 d . . . . .
O15T O 0.953(2) 0.294(2) 0.7236(7) 0.379(15) Uiso 1 1 d . . . . .
C5T C 0.8448(9) 0.2987(9) 0.7407(3) 0.106(4) Uiso 1 1 d D . . . .
C1TA C 0.4866(14) 0.3286(16) 0.7838(6) 0.125(6) Uiso 0.271(7) 1 d D . P A 1
F1TA F 0.451(2) 0.319(2) 0.8078(6) 0.145(2) Uiso 0.271(7) 1 d D . P A 1
F2TA F 0.524(2) 0.4069(16) 0.7740(8) 0.145(2) Uiso 0.271(7) 1 d D . P A 1
F3TA F 0.5377(19) 0.289(2) 0.7808(7) 0.145(2) Uiso 0.271(7) 1 d D . P A 1
S1A S 0.3805(8) 0.2597(8) 0.7603(3) 0.0962(12) Uiso 0.271(7) 1 d D . P A 1
O1TA O 0.3178(17) 0.2916(19) 0.7566(6) 0.1060(19) Uiso 0.271(7) 1 d D . P A 1
O2TA O 0.4278(18) 0.2773(19) 0.7347(5) 0.1060(19) Uiso 0.271(7) 1 d D . P A 1
O3TA O 0.3549(19) 0.1690(11) 0.7615(7) 0.1060(19) Uiso 0.271(7) 1 d D . P A 1
C1TB C 0.4753(11) 0.3116(11) 0.7647(4) 0.125(6) Uiso 0.729(7) 1 d D . P A 2
F1TB F 0.4551(9) 0.3190(9) 0.7912(3) 0.145(2) Uiso 0.729(7) 1 d D . P A 2
F2TB F 0.5161(8) 0.3936(8) 0.7573(3) 0.145(2) Uiso 0.729(7) 1 d D . P A 2
F3TB F 0.5320(9) 0.2781(9) 0.7659(3) 0.145(2) Uiso 0.729(7) 1 d D . P A 2
S1B S 0.3616(3) 0.2428(3) 0.74539(13) 0.0962(12) Uiso 0.729(7) 1 d D . P A 2
O1TB O 0.3117(8) 0.2892(8) 0.7444(3) 0.1060(19) Uiso 0.729(7) 1 d D . P A 2
O2TB O 0.3829(8) 0.2350(8) 0.7171(3) 0.1060(19) Uiso 0.729(7) 1 d D . P A 2
O3TB O 0.3210(8) 0.1584(7) 0.7560(3) 0.1060(19) Uiso 0.729(7) 1 d D . P A 2
C2T C 0.8906(15) 0.2608(14) 0.9446(4) 0.091(5) Uiso 0.491(8) 1 d D . P B 1
F4T F 0.8319(17) 0.1837(15) 0.9475(6) 0.204(4) Uiso 0.491(8) 1 d D . P B 1
F5T F 0.9506(18) 0.2585(18) 0.9278(5) 0.204(4) Uiso 0.491(8) 1 d D . P B 1
F6T F 0.9559(17) 0.3046(17) 0.9680(5) 0.204(4) Uiso 0.491(8) 1 d D . P B 1
S2 S 0.8479(6) 0.3296(5) 0.93404(17) 0.1035(14) Uiso 0.491(8) 1 d D . P B 1
O4T O 0.7944(16) 0.2826(16) 0.9067(4) 0.153(3) Uiso 0.491(8) 1 d D . P B 1
O5T O 0.7850(16) 0.3145(16) 0.9534(5) 0.153(3) Uiso 0.491(8) 1 d D . P B 1
O6T O 0.9253(14) 0.4104(13) 0.9305(5) 0.153(3) Uiso 0.491(8) 1 d D . P B 1
C1A C 0.8760(13) 0.2924(13) 0.9389(4) 0.091(5) Uiso 0.509(8) 1 d D . P B 2
F3 F 0.9526(16) 0.3354(16) 0.9566(5) 0.204(4) Uiso 0.509(8) 1 d D . P B 2
F4 F 0.9060(18) 0.2712(17) 0.9164(5) 0.204(4) Uiso 0.509(8) 1 d D . P B 2
F5 F 0.8139(16) 0.2155(15) 0.9466(6) 0.204(4) Uiso 0.509(8) 1 d D . P B 2
S9 S 0.8181(6) 0.3502(5) 0.92815(16) 0.1035(14) Uiso 0.509(8) 1 d D . P B 2
O7 O 0.7786(15) 0.3582(15) 0.9526(4) 0.153(3) Uiso 0.509(8) 1 d D . P B 2
O8 O 0.8920(13) 0.4355(11) 0.9243(5) 0.153(3) Uiso 0.509(8) 1 d D . P B 2
O9 O 0.7556(14) 0.2982(14) 0.9040(4) 0.153(3) Uiso 0.509(8) 1 d D . P B 2
S3 S 0.3656(4) 0.2746(3) 0.97315(10) 0.161(2) Uani 1 1 d . . . . .
F7T F 0.4831(11) 0.4322(11) 0.9628(3) 0.244(6) Uiso 1 1 d . . . . .
F8T F 0.5393(9) 0.3837(8) 0.9947(3) 0.190(4) Uiso 1 1 d . . . . .
F9T F 0.5210(11) 0.3315(10) 0.9525(3) 0.236(6) Uiso 1 1 d . . . . .
O7T O 0.3151(14) 0.2663(9) 0.9470(3) 0.232(9) Uani 1 1 d . . . . .
O8T O 0.3762(10) 0.2000(7) 0.9806(2) 0.161(5) Uani 1 1 d . . . . .
O9T O 0.3455(13) 0.3184(11) 0.9955(2) 0.219(8) Uani 1 1 d . . . . .
C3T C 0.4750(18) 0.3558(18) 0.9727(6) 0.190(8) Uiso 1 1 d . . . . .
C6T C 0.2178(12) 0.1151(16) 0.5356(5) 0.38(3) Uiso 1 1 d D . . . .
F16T F 0.1832(17) 0.0320(17) 0.5231(5) 0.374(12) Uiso 1 1 d D . . . .
F17T F 0.1716(16) 0.1126(16) 0.5568(5) 0.358(11) Uiso 1 1 d D . . . .
F18T F 0.2192(9) 0.1684(9) 0.5166(3) 0.207(5) Uiso 1 1 d D . . . .
S6 S 0.3330(3) 0.1410(3) 0.54505(10) 0.1370(13) Uiso 1 1 d D . . . .
O16T O 0.3265(9) 0.0728(9) 0.5638(3) 0.183(5) Uiso 1 1 d D . . . .
O17T O 0.3794(12) 0.2302(11) 0.5627(4) 0.257(8) Uiso 1 1 d D . . . .
O18T O 0.3754(7) 0.1367(7) 0.5213(2) 0.136(3) Uiso 1 1 d D . . . .
C4T C -0.0605(14) 0.1525(12) 0.5350(5) 0.257(13) Uiso 1 1 d D . . . .
S4 S -0.0930(3) 0.2320(4) 0.54522(13) 0.1577(18) Uani 1 1 d D . . . .
F10T F -0.1359(9) 0.0859(9) 0.5191(3) 0.207(5) Uiso 1 1 d D . . . .
F11T F -0.0376(12) 0.1199(12) 0.5566(4) 0.280(7) Uiso 1 1 d D . . . .
F12T F 0.0123(9) 0.1876(9) 0.5211(3) 0.209(5) Uiso 1 1 d D . . . .
O10T O -0.1689(11) 0.1853(14) 0.5611(4) 0.281(11) Uani 1 1 d D . . . .
O11T O -0.1142(10) 0.2616(8) 0.5192(3) 0.180(6) Uani 1 1 d D . . . .
O12T O -0.0159(6) 0.2966(7) 0.5642(2) 0.153(4) Uani 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0164
0 0 -1 0.0244
1 -2 -1 0.1030
1 5 2 0.0976
2 -1 -1 0.0546
-2 1 1 0.0678
-5 -2 0 0.1125
-3 5 1 0.0884
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N4C Eu1 N4 85.3(2) . . ?
N4C Eu1 N6C 62.0(2) . . ?
N4C Eu1 N6 140.0(2) . . ?
N4B Eu1 N4 86.2(2) . . ?
N4B Eu1 N4C 85.2(2) . . ?
N4B Eu1 N6B 62.4(3) . . ?
N4B Eu1 N6C 141.5(2) . . ?
N4B Eu1 N6 72.5(2) . . ?
N4B Eu1 N7B 125.0(2) . . ?
N4B Eu1 N7 76.4(2) . . ?
N6B Eu1 N4 140.6(2) . . ?
N6B Eu1 N4C 69.9(2) . . ?
N6B Eu1 N6C 117.6(3) . . ?
N6B Eu1 N6 122.8(2) . . ?
N6C Eu1 N4 72.2(2) . . ?
N6C Eu1 N6 119.6(2) . . ?
N6 Eu1 N4 61.1(2) . . ?
N7B Eu1 N4 144.0(2) . . ?
N7B Eu1 N4C 80.6(2) . . ?
N7B Eu1 N6B 62.8(2) . . ?
N7B Eu1 N6C 71.9(2) . . ?
N7B Eu1 N6 139.3(2) . . ?
N7 Eu1 N4 123.8(2) . . ?
N7 Eu1 N4C 143.6(2) . . ?
N7 Eu1 N6B 73.7(2) . . ?
N7 Eu1 N6C 142.1(2) . . ?
N7 Eu1 N6 62.7(2) . . ?
N7 Eu1 N7B 84.5(2) . . ?
N7C Eu1 N4 80.4(2) . . ?
N7C Eu1 N4C 124.9(2) . . ?
N7C Eu1 N4B 145.3(2) . . ?
N7C Eu1 N6B 138.9(2) . . ?
N7C Eu1 N6C 62.9(2) . . ?
N7C Eu1 N6 73.0(2) . . ?
N7C Eu1 N7B 81.0(2) . . ?
N7C Eu1 N7 84.7(2) . . ?
O1 Eu2 N9 124.66(19) . . ?
O1 Eu2 N9C 143.1(2) . . ?
O1 Eu2 N9B 83.7(2) . . ?
O1 Eu2 N11C 132.4(2) . . ?
O1 Eu2 N11 63.3(2) . . ?
O1 Eu2 N11B 67.3(2) . . ?
O1 Eu2 C46 19.8(2) . . ?
O1 Eu2 C46B 68.4(2) . . ?
O1 Eu2 C46C 95.0(2) . . ?
O1C Eu2 O1 75.9(2) . . ?
O1C Eu2 N9 78.4(2) . . ?
O1C Eu2 N9C 128.2(2) . . ?
O1C Eu2 N9B 143.2(2) . . ?
O1C Eu2 N11C 65.2(2) . . ?
O1C Eu2 N11 68.1(2) . . ?
O1C Eu2 N11B 131.2(2) . . ?
O1C Eu2 C46 78.9(2) . . ?
O1C Eu2 C46B 91.1(2) . . ?
O1C Eu2 C46C 19.5(2) . . ?
O1B Eu2 O1 80.1(2) . . ?
O1B Eu2 O1C 80.5(2) . . ?
O1B Eu2 N9 141.3(2) . . ?
O1B Eu2 N9C 77.9(2) . . ?
O1B Eu2 N9B 126.0(2) . . ?
O1B Eu2 N11C 67.7(2) . . ?
O1B Eu2 N11 136.0(2) . . ?
O1B Eu2 N11B 63.0(2) . . ?
O1B Eu2 C46 99.9(2) . . ?
O1B Eu2 C46B 18.1(2) . . ?
O1B Eu2 C46C 80.0(2) . . ?
N9 Eu2 N9C 90.3(2) . . ?
N9 Eu2 N11 61.7(2) . . ?
N9 Eu2 C46 107.3(2) . . ?
N9 Eu2 C46B 159.4(2) . . ?
N9 Eu2 C46C 69.5(2) . . ?
N9C Eu2 N11 146.0(2) . . ?
N9C Eu2 C46 151.1(2) . . ?
N9C Eu2 C46B 82.3(2) . . ?
N9C Eu2 C46C 109.7(2) . . ?
N9B Eu2 N9 89.0(2) . . ?
N9B Eu2 N9C 85.7(2) . . ?
N9B Eu2 N11C 143.6(2) . . ?
N9B Eu2 N11 75.5(2) . . ?
N9B Eu2 N11B 63.2(3) . . ?
N9B Eu2 C46 72.2(2) . . ?
N9B Eu2 C46B 109.5(3) . . ?
N9B Eu2 C46C 153.0(3) . . ?
N11C Eu2 N9 74.0(2) . . ?
N11C Eu2 N9C 63.0(2) . . ?
N11C Eu2 N11 120.2(2) . . ?
N11C Eu2 C46 143.3(2) . . ?
N11C Eu2 C46B 85.5(3) . . ?
N11C Eu2 C46C 46.8(2) . . ?
N11 Eu2 C46 45.7(2) . . ?
N11 Eu2 C46B 130.6(2) . . ?
N11 Eu2 C46C 79.8(2) . . ?
N11B Eu2 N9 149.6(2) . . ?
N11B Eu2 N9C 76.4(2) . . ?
N11B Eu2 N11C 120.9(3) . . ?
N11B Eu2 N11 117.5(2) . . ?
N11B Eu2 C46 77.0(2) . . ?
N11B Eu2 C46B 46.4(3) . . ?
N11B Eu2 C46C 140.7(3) . . ?
C46B Eu2 C46 87.7(2) . . ?
C46B Eu2 C46C 94.9(3) . . ?
C46C Eu2 C46 98.1(2) . . ?
N1 Zn1 N1C 93.9(3) . . ?
N1B Zn1 N1C 96.6(3) . . ?
N1B Zn1 N1 95.6(2) . . ?
N2 Zn1 N1C 169.9(3) . . ?
N2 Zn1 N1 77.2(3) . . ?
N2 Zn1 N1B 88.9(3) . . ?
N2 Zn1 N2C 99.3(3) . . ?
N2 Zn1 N2B 101.4(3) . . ?
N2C Zn1 N1C 75.8(3) . . ?
N2C Zn1 N1 89.9(2) . . ?
N2C Zn1 N1B 170.9(3) . . ?
N2C Zn1 N2B 98.7(2) . . ?
N2B Zn1 N1C 88.1(2) . . ?
N2B Zn1 N1 171.4(2) . . ?
N2B Zn1 N1B 75.8(2) . . ?
C46 O1 Eu2 119.5(5) . . ?
C46C O1C Eu2 121.3(6) . . ?
C46B O1B Eu2 124.3(6) . . ?
C1C N1C Zn1 124.4(7) . . ?
C1C N1C C5C 118.2(8) . . ?
C5C N1C Zn1 114.4(6) . . ?
C1 N1 Zn1 126.6(6) . . ?
C5 N1 Zn1 113.1(7) . . ?
C5 N1 C1 118.6(9) . . ?
C1B N1B Zn1 124.8(6) . . ?
C1B N1B C5B 117.7(7) . . ?
C5B N1B Zn1 115.7(5) . . ?
C6 N2 Zn1 114.1(7) . . ?
C6 N2 C7 105.7(8) . . ?
C7 N2 Zn1 138.4(7) . . ?
C6C N2C Zn1 115.6(6) . . ?
C6C N2C C7C 107.5(7) . . ?
C7C N2C Zn1 136.9(5) . . ?
C6B N2B Zn1 115.8(5) . . ?
C6B N2B C7B 106.2(6) . . ?
C7B N2B Zn1 137.2(5) . . ?
C6C N3C C52C 129.3(10) . . ?
C12C N3C C6C 107.5(7) . . ?
C12C N3C C52C 123.3(9) . . ?
C6 N3 C12 103.7(10) . . ?
C6 N3 C52 133.7(13) . . ?
C12 N3 C52 122.1(10) . . ?
C6B N3B C12B 107.8(7) . . ?
C6B N3B C52B 129.9(8) . . ?
C12B N3B C52B 122.3(7) . . ?
C16 N4 Eu1 128.6(6) . . ?
C17 N4 Eu1 115.1(5) . . ?
C17 N4 C16 107.7(8) . . ?
C16C N4C Eu1 136.0(6) . . ?
C17C N4C Eu1 117.4(6) . . ?
C17C N4C C16C 105.1(8) . . ?
C16B N4B Eu1 129.9(5) . . ?
C17B N4B Eu1 116.3(6) . . ?
C17B N4B C16B 107.5(7) . . ?
C17C N5C C18C 109.2(8) . . ?
C17C N5C C53C 126.4(10) . . ?
C18C N5C C53C 124.4(10) . . ?
C17B N5B C53B 130.0(10) . . ?
C18B N5B C17B 107.3(7) . . ?
C18B N5B C53B 122.4(10) . . ?
C17 N5 C18 107.2(9) . . ?
C17 N5 C53 127.3(9) . . ?
C18 N5 C53 125.4(9) . . ?
C21B N6B Eu1 119.3(7) . . ?
C25B N6B Eu1 119.9(6) . . ?
C25B N6B C21B 120.8(9) . . ?
C21C N6C Eu1 121.8(6) . . ?
C25C N6C Eu1 118.4(6) . . ?
C25C N6C C21C 119.6(8) . . ?
C21 N6 Eu1 121.3(5) . . ?
C21 N6 C25 118.1(7) . . ?
C25 N6 Eu1 120.6(5) . . ?
C26B N7B Eu1 113.5(6) . . ?
C26B N7B C27B 102.8(8) . . ?
C27B N7B Eu1 131.9(6) . . ?
C26 N7 Eu1 113.0(5) . . ?
C26 N7 C27 105.8(6) . . ?
C27 N7 Eu1 129.1(5) . . ?
C26C N7C Eu1 114.9(5) . . ?
C26C N7C C27C 104.3(8) . . ?
C27C N7C Eu1 129.6(5) . . ?
C26B N8B C32B 108.0(9) . . ?
C26B N8B C54B 128.4(11) . . ?
C32B N8B C54B 123.6(10) . . ?
C26C N8C C32C 104.2(8) . . ?
C26C N8C C54C 130.8(10) . . ?
C32C N8C C54C 124.6(9) . . ?
C26 N8 C54 127.9(8) . . ?
C32 N8 C26 108.1(7) . . ?
C32 N8 C54 123.8(7) . . ?
C36 N9 Eu2 133.6(5) . . ?
C37 N9 Eu2 121.1(5) . . ?
C37 N9 C36 104.8(7) . . ?
C36C N9C Eu2 136.3(6) . . ?
C37C N9C Eu2 116.8(6) . . ?
C37C N9C C36C 106.4(7) . . ?
C36B N9B Eu2 134.6(6) . . ?
C37B N9B Eu2 118.0(6) . . ?
C37B N9B C36B 106.1(8) . . ?
C37B N10B C55B 126.5(11) . . ?
C38B N10B C37B 106.3(8) . . ?
C38B N10B C55B 126.8(10) . . ?
C37 N10 C38 106.8(7) . . ?
C37 N10 C55 129.4(9) . . ?
C38 N10 C55 123.5(8) . . ?
C37C N10C C55C 130.4(10) . . ?
C38C N10C C37C 105.6(8) . . ?
C38C N10C C55C 123.9(9) . . ?
C41C N11C Eu2 120.3(7) . . ?
C41C N11C C45C 118.7(8) . . ?
C45C N11C Eu2 115.4(5) . . ?
C41 N11 Eu2 121.5(5) . . ?
C45 N11 Eu2 115.2(6) . . ?
C45 N11 C41 120.0(7) . . ?
C41B N11B Eu2 122.0(6) . . ?
C41B N11B C45B 119.4(9) . . ?
C45B N11B Eu2 118.3(7) . . ?
C46B N12B C47B 118.8(10) . . ?
C46B N12B C49B 125.2(14) . . ?
C49B N12B C47B 113.8(13) . . ?
C46C N12C C47C 116.6(8) . . ?
C46C N12C C49C 123.9(9) . . ?
C49C N12C C47C 119.3(8) . . ?
C46 N12 C47 117.9(10) . . ?
C46 N12 C49 125.7(10) . . ?
C49 N12 C47 115.9(10) . . ?
N1 C1 H1 118.3 . . ?
N1 C1 C2 123.4(12) . . ?
C2 C1 H1 118.3 . . ?
N1B C1B H1B 118.3 . . ?
N1B C1B C2B 123.5(8) . . ?
C2B C1B H1B 118.3 . . ?
N1C C1C H1C 117.8 . . ?
N1C C1C C2C 124.5(11) . . ?
C2C C1C H1C 117.8 . . ?
C1C C2C C51C 119.5(13) . . ?
C3C C2C C1C 115.8(11) . . ?
C3C C2C C51C 124.5(12) . . ?
C1B C2B C51B 119.4(9) . . ?
C3B C2B C1B 117.2(9) . . ?
C3B C2B C51B 123.4(9) . . ?
C1 C2 C51 119.9(13) . . ?
C3 C2 C1 117.1(13) . . ?
C3 C2 C51 123.1(11) . . ?
C2C C3C H3C 119.1 . . ?
C2C C3C C4C 121.8(11) . . ?
C4C C3C H3C 119.1 . . ?
C2B C3B H3B 120.0 . . ?
C2B C3B C4B 120.0(9) . . ?
C4B C3B H3B 120.0 . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.1(10) . . ?
C4 C3 H3 118.9 . . ?
C3C C4C H4C 121.9 . . ?
C5C C4C C3C 116.2(11) . . ?
C5C C4C H4C 121.9 . . ?
C3 C4 H4 121.6 . . ?
C3 C4 C5 116.9(13) . . ?
C5 C4 H4 121.6 . . ?
C3B C4B H4B 119.8 . . ?
C5B C4B C3B 120.4(9) . . ?
C5B C4B H4B 119.8 . . ?
N1 C5 C4 121.8(12) . . ?
N1 C5 C6 113.0(8) . . ?
C4 C5 C6 125.2(13) . . ?
N1B C5B C4B 120.9(8) . . ?
N1B C5B C6B 112.3(7) . . ?
C4B C5B C6B 126.8(8) . . ?
N1C C5C C4C 123.4(10) . . ?
N1C C5C C6C 114.0(8) . . ?
C4C C5C C6C 122.5(10) . . ?
N2B C6B N3B 111.6(7) . . ?
N2B C6B C5B 118.7(7) . . ?
N3B C6B C5B 129.6(7) . . ?
N2 C6 N3 114.6(11) . . ?
N2 C6 C5 120.3(9) . . ?
N3 C6 C5 124.9(11) . . ?
N2C C6C N3C 110.4(9) . . ?
N2C C6C C5C 118.3(8) . . ?
N3C C6C C5C 131.4(8) . . ?
C8C C7C N2C 130.0(8) . . ?
C8C C7C C12C 123.5(8) . . ?
C12C C7C N2C 106.5(8) . . ?
N2B C7B C12B 108.2(7) . . ?
C8B C7B N2B 131.3(7) . . ?
C8B C7B C12B 120.5(7) . . ?
N2 C7 C8 127.5(9) . . ?
N2 C7 C12 107.3(10) . . ?
C8 C7 C12 125.1(10) . . ?
C7B C8B H8B 119.9 . . ?
C9B C8B C7B 120.1(8) . . ?
C9B C8B H8B 119.9 . . ?
C7 C8 H8 121.3 . . ?
C7 C8 C9 117.3(10) . . ?
C9 C8 H8 121.3 . . ?
C7C C8C H8C 121.4 . . ?
C9C C8C C7C 117.1(9) . . ?
C9C C8C H8C 121.4 . . ?
C8C C9C C10C 117.4(10) . . ?
C8C C9C C13C 119.2(9) . . ?
C10C C9C C13C 123.4(9) . . ?
C8 C9 C10 117.3(12) . . ?
C8 C9 C13 120.5(11) . . ?
C10 C9 C13 121.9(10) . . ?
C8B C9B C10B 118.5(8) . . ?
C8B C9B C13B 121.6(8) . . ?
C10B C9B C13B 119.5(8) . . ?
C9B C10B H10B 118.5 . . ?
C11B C10B C9B 123.0(8) . . ?
C11B C10B H10B 118.5 . . ?
C9 C10 H10 118.3 . . ?
C11 C10 C9 123.4(11) . . ?
C11 C10 H10 118.3 . . ?
C9C C10C H10C 117.3 . . ?
C11C C10C C9C 125.4(10) . . ?
C11C C10C H10C 117.3 . . ?
C10 C11 H11 120.9 . . ?
C12 C11 C10 118.2(13) . . ?
C12 C11 H11 120.9 . . ?
C10C C11C H11C 120.8 . . ?
C10C C11C C12C 118.3(11) . . ?
C12C C11C H11C 120.8 . . ?
C10B C11B H11B 121.0 . . ?
C10B C11B C12B 118.0(8) . . ?
C12B C11B H11B 121.0 . . ?
N3B C12B C7B 106.0(7) . . ?
N3B C12B C11B 133.9(8) . . ?
C11B C12B C7B 119.9(8) . . ?
N3C C12C C7C 108.0(8) . . ?
N3C C12C C11C 133.6(9) . . ?
C7C C12C C11C 118.1(10) . . ?
N3 C12 C7 108.7(9) . . ?
N3 C12 C11 132.6(13) . . ?
C11 C12 C7 118.6(14) . . ?
C9 C13 H13A 108.0 . . ?
C9 C13 H13B 108.0 . . ?
C9 C13 C14 117.3(8) . . ?
H13A C13 H13B 107.2 . . ?
C14 C13 H13A 108.0 . . ?
C14 C13 H13B 108.0 . . ?
C9B C13B H13C 109.2 . . ?
C9B C13B H13D 109.2 . . ?
C9B C13B C14B 112.0(7) . . ?
H13C C13B H13D 107.9 . . ?
C14B C13B H13C 109.2 . . ?
C14B C13B H13D 109.2 . . ?
C9C C13C H13E 108.6 . . ?
C9C C13C H13F 108.6 . . ?
C9C C13C C14C 114.8(7) . . ?
H13E C13C H13F 107.6 . . ?
C14C C13C H13E 108.6 . . ?
C14C C13C H13F 108.6 . . ?
C15C C14C C13C 121.0(9) . . ?
C20C C14C C13C 119.0(9) . . ?
C20C C14C C15C 120.0(10) . . ?
C15 C14 C13 119.3(11) . . ?
C20 C14 C13 121.0(10) . . ?
C20 C14 C15 119.7(12) . . ?
C15B C14B C13B 118.9(8) . . ?
C15B C14B C20B 121.3(10) . . ?
C20B C14B C13B 119.8(8) . . ?
C14B C15B H15B 120.4 . . ?
C14B C15B C16B 119.2(8) . . ?
C16B C15B H15B 120.4 . . ?
C14C C15C H15C 120.1 . . ?
C14C C15C C16C 119.8(9) . . ?
C16C C15C H15C 120.1 . . ?
C14 C15 H15 120.5 . . ?
C16 C15 C14 119.0(11) . . ?
C16 C15 H15 120.5 . . ?
N4 C16 C18 107.0(9) . . ?
C15 C16 N4 132.7(9) . . ?
C15 C16 C18 120.3(9) . . ?
N4C C16C C15C 129.7(8) . . ?
N4C C16C C18C 110.7(9) . . ?
C18C C16C C15C 119.6(9) . . ?
N4B C16B C18B 106.7(9) . . ?
C15B C16B N4B 132.6(7) . . ?
C15B C16B C18B 120.6(9) . . ?
N4C C17C N5C 110.0(9) . . ?
N4C C17C C21C 121.1(9) . . ?
N5C C17C C21C 128.0(9) . . ?
N4B C17B N5B 112.4(8) . . ?
N4B C17B C21B 120.2(8) . . ?
N5B C17B C21B 127.2(9) . . ?
N4 C17 N5 111.6(8) . . ?
N4 C17 C21 119.9(8) . . ?
N5 C17 C21 128.4(9) . . ?
N5B C18B C16B 106.0(8) . . ?
N5B C18B C19B 134.9(9) . . ?
C19B C18B C16B 119.1(10) . . ?
N5C C18C C16C 105.0(9) . . ?
N5C C18C C19C 133.9(10) . . ?
C16C C18C C19C 120.9(11) . . ?
N5 C18 C16 106.4(8) . . ?
N5 C18 C19 132.7(12) . . ?
C19 C18 C16 120.8(11) . . ?
C18C C19C H19C 120.9 . . ?
C18C C19C C20C 118.2(11) . . ?
C20C C19C H19C 120.9 . . ?
C18B C19B H19B 121.4 . . ?
C20B C19B C18B 117.1(8) . . ?
C20B C19B H19B 121.4 . . ?
C18 C19 H19 121.5 . . ?
C20 C19 C18 117.0(12) . . ?
C20 C19 H19 121.5 . . ?
C14B C20B H20B 118.7 . . ?
C19B C20B C14B 122.5(9) . . ?
C19B C20B H20B 118.7 . . ?
C14C C20C C19C 120.7(11) . . ?
C14C C20C H20C 119.7 . . ?
C19C C20C H20C 119.7 . . ?
C14 C20 H20 118.4 . . ?
C19 C20 C14 123.2(10) . . ?
C19 C20 H20 118.4 . . ?
N6 C21 C17 112.6(8) . . ?
N6 C21 C22 122.2(8) . . ?
C22 C21 C17 124.6(8) . . ?
N6C C21C C17C 112.9(8) . . ?
C22C C21C N6C 122.5(10) . . ?
C22C C21C C17C 124.6(10) . . ?
N6B C21B C17B 114.8(9) . . ?
N6B C21B C22B 118.9(11) . . ?
C22B C21B C17B 126.1(10) . . ?
C21B C22B H22B 120.8 . . ?
C23B C22B C21B 118.4(12) . . ?
C23B C22B H22B 120.8 . . ?
C21C C22C H22C 120.8 . . ?
C21C C22C C23C 118.4(12) . . ?
C23C C22C H22C 120.8 . . ?
C21 C22 H22 120.8 . . ?
C21 C22 C23 118.5(9) . . ?
C23 C22 H22 120.8 . . ?
C22C C23C H23C 120.0 . . ?
C24C C23C C22C 120.0(10) . . ?
C24C C23C H23C 120.0 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.1(9) . . ?
C24 C23 H23 119.5 . . ?
C22B C23B H23B 119.3 . . ?
C24B C23B C22B 121.3(12) . . ?
C24B C23B H23B 119.3 . . ?
C23B C24B H24B 121.5 . . ?
C23B C24B C25B 117.0(12) . . ?
C25B C24B H24B 121.5 . . ?
C23 C24 H24 121.7 . . ?
C23 C24 C25 116.5(9) . . ?
C25 C24 H24 121.7 . . ?
C23C C24C H24C 120.8 . . ?
C23C C24C C25C 118.5(10) . . ?
C25C C24C H24C 120.8 . . ?
N6C C25C C24C 120.7(10) . . ?
N6C C25C C26C 114.4(8) . . ?
C24C C25C C26C 124.5(9) . . ?
N6B C25B C24B 123.3(11) . . ?
N6B C25B C26B 114.7(9) . . ?
C24B C25B C26B 121.4(11) . . ?
N6 C25 C24 123.6(8) . . ?
N6 C25 C26 110.3(7) . . ?
C24 C25 C26 125.9(8) . . ?
N7 C26 N8 111.2(7) . . ?
N7 C26 C25 121.7(7) . . ?
N8 C26 C25 127.0(7) . . ?
N7C C26C N8C 114.9(9) . . ?
N7C C26C C25C 119.7(8) . . ?
N8C C26C C25C 125.4(8) . . ?
N7B C26B C25B 116.5(8) . . ?
N8B C26B N7B 114.1(9) . . ?
N8B C26B C25B 129.3(10) . . ?
N7 C27 C28 129.3(7) . . ?
N7 C27 C32 108.1(7) . . ?
C28 C27 C32 122.5(8) . . ?
C28C C27C N7C 128.7(8) . . ?
C32C C27C N7C 107.6(9) . . ?
C32C C27C C28C 123.7(9) . . ?
C28B C27B N7B 129.0(9) . . ?
C28B C27B C32B 121.2(10) . . ?
C32B C27B N7B 109.7(10) . . ?
C27B C28B H28B 120.9 . . ?
C29B C28B C27B 118.2(10) . . ?
C29B C28B H28B 120.9 . . ?
C27C C28C H28C 122.0 . . ?
C29C C28C C27C 116.0(8) . . ?
C29C C28C H28C 122.0 . . ?
C27 C28 H28 120.8 . . ?
C29 C28 C27 118.5(8) . . ?
C29 C28 H28 120.8 . . ?
C28 C29 C30 119.4(9) . . ?
C28 C29 C33 122.7(8) . . ?
C30 C29 C33 117.9(8) . . ?
C28B C29B C30B 119.9(11) . . ?
C28B C29B C33B 121.1(10) . . ?
C30B C29B C33B 118.9(10) . . ?
C28C C29C C30C 121.9(10) . . ?
C28C C29C C33C 119.6(9) . . ?
C30C C29C C33C 118.4(9) . . ?
C29 C30 H30 118.3 . . ?
C31 C30 C29 123.3(9) . . ?
C31 C30 H30 118.3 . . ?
C29B C30B H30B 120.1 . . ?
C31B C30B C29B 119.9(11) . . ?
C31B C30B H30B 120.1 . . ?
C29C C30C H30C 118.8 . . ?
C31C C30C C29C 122.3(10) . . ?
C31C C30C H30C 118.8 . . ?
C30C C31C H31C 121.3 . . ?
C30C C31C C32C 117.3(10) . . ?
C32C C31C H31C 121.3 . . ?
C30 C31 H31 121.8 . . ?
C30 C31 C32 116.5(9) . . ?
C32 C31 H31 121.8 . . ?
C30B C31B H31B 120.1 . . ?
C32B C31B C30B 119.9(12) . . ?
C32B C31B H31B 120.1 . . ?
N8B C32B C27B 104.9(9) . . ?
C31B C32B N8B 134.1(12) . . ?
C31B C32B C27B 120.9(13) . . ?
N8C C32C C31C 132.5(9) . . ?
C27C C32C N8C 108.9(9) . . ?
C27C C32C C31C 118.7(10) . . ?
N8 C32 C27 106.6(7) . . ?
N8 C32 C31 133.8(8) . . ?
C31 C32 C27 119.6(9) . . ?
C29B C33B H33B 121.8 . . ?
C34B C33B C29B 116.3(8) . . ?
C34B C33B H33B 121.8 . . ?
C29C C33C H33A 109.1 . . ?
C29C C33C H33C 109.1 . . ?
H33A C33C H33C 107.8 . . ?
C34C C33C C29C 112.5(7) . . ?
C34C C33C H33A 109.1 . . ?
C34C C33C H33C 109.1 . . ?
C29 C33 H33D 108.9 . . ?
C29 C33 H33E 108.9 . . ?
C29 C33 C34 113.5(7) . . ?
H33D C33 H33E 107.7 . . ?
C34 C33 H33D 108.9 . . ?
C34 C33 H33E 108.9 . . ?
C35B C34B C33B 119.2(10) . . ?
C35B C34B C40B 118.8(11) . . ?
C40B C34B C33B 122.0(10) . . ?
C35C C34C C33C 121.4(9) . . ?
C35C C34C C40C 117.9(10) . . ?
C40C C34C C33C 120.7(9) . . ?
C35 C34 C33 119.0(8) . . ?
C40 C34 C33 121.3(9) . . ?
C40 C34 C35 119.7(9) . . ?
C34 C35 H35 120.4 . . ?
C34 C35 C36 119.2(8) . . ?
C36 C35 H35 120.4 . . ?
C34C C35C H35C 119.8 . . ?
C36C C35C C34C 120.3(8) . . ?
C36C C35C H35C 119.8 . . ?
C34B C35B H35B 121.0 . . ?
C36B C35B C34B 118.0(10) . . ?
C36B C35B H35B 121.0 . . ?
C35B C36B N9B 130.3(8) . . ?
C38B C36B N9B 107.8(9) . . ?
C38B C36B C35B 121.9(9) . . ?
C35 C36 N9 131.6(8) . . ?
C35 C36 C38 118.9(8) . . ?
C38 C36 N9 109.4(7) . . ?
N9C C36C C35C 131.9(7) . . ?
N9C C36C C38C 108.8(8) . . ?
C35C C36C C38C 119.3(8) . . ?
N9B C37B N10B 110.3(9) . . ?
N9B C37B C41B 120.9(8) . . ?
N10B C37B C41B 128.6(9) . . ?
N9C C37C N10C 112.8(9) . . ?
N9C C37C C41C 122.9(7) . . ?
N10C C37C C41C 124.3(9) . . ?
N9 C37 N10 113.6(8) . . ?
N9 C37 C41 120.5(7) . . ?
N10 C37 C41 125.8(7) . . ?
C36 C38 N10 105.4(8) . . ?
C36 C38 C39 123.2(9) . . ?
C39 C38 N10 131.4(9) . . ?
N10C C38C C36C 106.3(8) . . ?
N10C C38C C39C 130.5(9) . . ?
C36C C38C C39C 123.2(10) . . ?
N10B C38B C36B 109.4(9) . . ?
N10B C38B C39B 130.0(11) . . ?
C36B C38B C39B 120.6(11) . . ?
C38 C39 H39 123.1 . . ?
C40 C39 C38 113.9(10) . . ?
C40 C39 H39 123.1 . . ?
C38C C39C H39C 122.5 . . ?
C40C C39C C38C 114.9(8) . . ?
C40C C39C H39C 122.5 . . ?
C38B C39B H39B 120.5 . . ?
C40B C39B C38B 119.1(11) . . ?
C40B C39B H39B 120.5 . . ?
C34 C40 C39 125.0(10) . . ?
C34 C40 H40 117.5 . . ?
C39 C40 H40 117.5 . . ?
C34C C40C H40C 117.8 . . ?
C39C C40C C34C 124.3(8) . . ?
C39C C40C H40C 117.8 . . ?
C34B C40B H40B 119.2 . . ?
C39B C40B C34B 121.6(10) . . ?
C39B C40B H40B 119.2 . . ?
N11B C41B C37B 113.7(8) . . ?
N11B C41B C42B 121.8(11) . . ?
C42B C41B C37B 124.5(10) . . ?
N11 C41 C37 112.0(7) . . ?
C42 C41 N11 118.1(9) . . ?
C42 C41 C37 129.8(9) . . ?
N11C C41C C37C 111.8(8) . . ?
N11C C41C C42C 121.2(10) . . ?
C42C C41C C37C 126.9(9) . . ?
C41C C42C H42C 120.5 . . ?
C43C C42C C41C 119.1(10) . . ?
C43C C42C H42C 120.5 . . ?
C41B C42B H42B 121.5 . . ?
C43B C42B C41B 117.0(12) . . ?
C43B C42B H42B 121.5 . . ?
C41 C42 H42 117.6 . . ?
C43 C42 C41 124.9(10) . . ?
C43 C42 H42 117.6 . . ?
C42 C43 H43 120.3 . . ?
C42 C43 C44 119.3(9) . . ?
C44 C43 H43 120.3 . . ?
C42B C43B H43B 119.8 . . ?
C42B C43B C44B 120.5(11) . . ?
C44B C43B H43B 119.8 . . ?
C42C C43C H43C 120.2 . . ?
C44C C43C C42C 119.6(11) . . ?
C44C C43C H43C 120.2 . . ?
C43C C44C H44C 120.7 . . ?
C43C C44C C45C 118.7(11) . . ?
C45C C44C H44C 120.7 . . ?
C43 C44 H44 121.7 . . ?
C43 C44 C45 116.6(9) . . ?
C45 C44 H44 121.7 . . ?
C43B C44B H44B 121.0 . . ?
C45B C44B C43B 118.1(12) . . ?
C45B C44B H44B 121.0 . . ?
N11 C45 C44 120.7(9) . . ?
N11 C45 C46 113.9(7) . . ?
C44 C45 C46 125.0(8) . . ?
N11B C45B C46B 108.4(8) . . ?
C44B C45B N11B 122.9(11) . . ?
C44B C45B C46B 128.7(11) . . ?
N11C C45C C44C 122.8(9) . . ?
N11C C45C C46C 112.6(8) . . ?
C44C C45C C46C 124.0(10) . . ?
O1 C46 Eu2 40.7(4) . . ?
O1 C46 N12 121.8(9) . . ?
O1 C46 C45 115.2(8) . . ?
N12 C46 Eu2 142.9(6) . . ?
N12 C46 C45 123.0(8) . . ?
C45 C46 Eu2 83.5(5) . . ?
O1B C46B Eu2 37.6(4) . . ?
O1B C46B N12B 120.3(10) . . ?
O1B C46B C45B 117.8(8) . . ?
N12B C46B Eu2 143.5(7) . . ?
N12B C46B C45B 121.8(9) . . ?
C45B C46B Eu2 86.2(5) . . ?
O1C C46C Eu2 39.3(4) . . ?
O1C C46C N12C 121.7(9) . . ?
O1C C46C C45C 116.5(9) . . ?
N12C C46C Eu2 149.3(7) . . ?
N12C C46C C45C 121.7(9) . . ?
C45C C46C Eu2 82.8(6) . . ?
N12C C47C H47A 109.3 . . ?
N12C C47C H47B 109.3 . . ?
N12C C47C C48C 111.5(9) . . ?
H47A C47C H47B 108.0 . . ?
C48C C47C H47A 109.3 . . ?
C48C C47C H47B 109.3 . . ?
N12B C47B H47C 109.6 . . ?
N12B C47B H47D 109.6 . . ?
N12B C47B C48B 110.4(11) . . ?
H47C C47B H47D 108.1 . . ?
C48B C47B H47C 109.6 . . ?
C48B C47B H47D 109.6 . . ?
N12 C47 H47 123.2 . . ?
C48 C47 N12 113.6(13) . . ?
C48 C47 H47 123.2 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47B C48B H48D 109.5 . . ?
C47B C48B H48E 109.5 . . ?
C47B C48B H48F 109.5 . . ?
H48D C48B H48E 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
C47C C48C H48G 109.5 . . ?
C47C C48C H48H 109.5 . . ?
C47C C48C H48I 109.5 . . ?
H48G C48C H48H 109.5 . . ?
H48G C48C H48I 109.5 . . ?
H48H C48C H48I 109.5 . . ?
N12 C49 H49A 109.7 . . ?
N12 C49 H49B 109.7 . . ?
N12 C49 C50 110.0(10) . . ?
H49A C49 H49B 108.2 . . ?
C50 C49 H49A 109.7 . . ?
C50 C49 H49B 109.7 . . ?
N12C C49C H49C 109.5 . . ?
N12C C49C H49D 109.5 . . ?
N12C C49C C50C 110.6(12) . . ?
H49C C49C H49D 108.1 . . ?
C50C C49C H49C 109.5 . . ?
C50C C49C H49D 109.5 . . ?
N12B C49B H49E 110.3 . . ?
N12B C49B H49F 110.3 . . ?
N12B C49B C50B 107.2(19) . . ?
H49E C49B H49F 108.5 . . ?
C50B C49B H49E 110.3 . . ?
C50B C49B H49F 110.3 . . ?
C49B C50B H50A 109.5 . . ?
C49B C50B H50B 109.5 . . ?
C49B C50B H50C 109.5 . . ?
H50A C50B H50B 109.5 . . ?
H50A C50B H50C 109.5 . . ?
H50B C50B H50C 109.5 . . ?
C49C C50C H50D 109.5 . . ?
C49C C50C H50E 109.5 . . ?
C49C C50C H50F 109.5 . . ?
H50D C50C H50E 109.5 . . ?
H50D C50C H50F 109.5 . . ?
H50E C50C H50F 109.5 . . ?
C49 C50 H50G 109.5 . . ?
C49 C50 H50H 109.5 . . ?
C49 C50 H50I 109.5 . . ?
H50G C50 H50H 109.5 . . ?
H50G C50 H50I 109.5 . . ?
H50H C50 H50I 109.5 . . ?
C2 C51 H51A 109.5 . . ?
C2 C51 H51B 109.5 . . ?
C2 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C2B C51B H51D 109.5 . . ?
C2B C51B H51E 109.5 . . ?
C2B C51B H51F 109.5 . . ?
H51D C51B H51E 109.5 . . ?
H51D C51B H51F 109.5 . . ?
H51E C51B H51F 109.5 . . ?
C2C C51C H51G 109.5 . . ?
C2C C51C H51H 109.5 . . ?
C2C C51C H51I 109.5 . . ?
H51G C51C H51H 109.5 . . ?
H51G C51C H51I 109.5 . . ?
H51H C51C H51I 109.5 . . ?
N3C C52C H52A 109.5 . . ?
N3C C52C H52B 109.5 . . ?
N3C C52C H52C 109.5 . . ?
H52A C52C H52B 109.5 . . ?
H52A C52C H52C 109.5 . . ?
H52B C52C H52C 109.5 . . ?
N3 C52 H52D 109.5 . . ?
N3 C52 H52E 109.5 . . ?
N3 C52 H52F 109.5 . . ?
H52D C52 H52E 109.5 . . ?
H52D C52 H52F 109.5 . . ?
H52E C52 H52F 109.5 . . ?
N3B C52B H52G 109.5 . . ?
N3B C52B H52H 109.5 . . ?
N3B C52B H52I 109.5 . . ?
H52G C52B H52H 109.5 . . ?
H52G C52B H52I 109.5 . . ?
H52H C52B H52I 109.5 . . ?
N5B C53B H53A 109.5 . . ?
N5B C53B H53B 109.5 . . ?
N5B C53B H53C 109.5 . . ?
H53A C53B H53B 109.5 . . ?
H53A C53B H53C 109.5 . . ?
H53B C53B H53C 109.5 . . ?
N5C C53C H53D 109.5 . . ?
N5C C53C H53E 109.5 . . ?
N5C C53C H53F 109.5 . . ?
H53D C53C H53E 109.5 . . ?
H53D C53C H53F 109.5 . . ?
H53E C53C H53F 109.5 . . ?
N5 C53 H53G 109.5 . . ?
N5 C53 H53H 109.5 . . ?
N5 C53 H53I 109.5 . . ?
H53G C53 H53H 109.5 . . ?
H53G C53 H53I 109.5 . . ?
H53H C53 H53I 109.5 . . ?
N8B C54B H54A 109.5 . . ?
N8B C54B H54B 109.5 . . ?
N8B C54B H54C 109.5 . . ?
H54A C54B H54B 109.5 . . ?
H54A C54B H54C 109.5 . . ?
H54B C54B H54C 109.5 . . ?
N8 C54 H54D 109.5 . . ?
N8 C54 H54E 109.5 . . ?
N8 C54 H54F 109.5 . . ?
H54D C54 H54E 109.5 . . ?
H54D C54 H54F 109.5 . . ?
H54E C54 H54F 109.5 . . ?
N8C C54C H54G 109.5 . . ?
N8C C54C H54H 109.5 . . ?
N8C C54C H54I 109.5 . . ?
H54G C54C H54H 109.5 . . ?
H54G C54C H54I 109.5 . . ?
H54H C54C H54I 109.5 . . ?
N10 C55 H55A 109.5 . . ?
N10 C55 H55B 109.5 . . ?
N10 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N10C C55C H55D 109.5 . . ?
N10C C55C H55E 109.5 . . ?
N10C C55C H55F 109.5 . . ?
H55D C55C H55E 109.5 . . ?
H55D C55C H55F 109.5 . . ?
H55E C55C H55F 109.5 . . ?
N10B C55B H55G 109.5 . . ?
N10B C55B H55H 109.5 . . ?
N10B C55B H55I 109.5 . . ?
H55G C55B H55H 109.5 . . ?
H55G C55B H55I 109.5 . . ?
H55H C55B H55I 109.5 . . ?
O1S C2S H2S 110.8 . . ?
O1S C2S C4S 107.1(15) . . ?
C3S C2S O1S 110(2) . . ?
C3S C2S H2S 110.8 . . ?
C3S C2S C4S 107.2(18) . . ?
C4S C2S H2S 110.8 . . ?
C2S C3S H3SA 115.8 . . ?
C2S C3S H3SB 111.4 . . ?
C2S C3S H3SC 100.8 . . ?
H3SA C3S H3SB 109.4 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
C2S C4S H4SA 110.5 . . ?
C2S C4S H4SB 110.1 . . ?
C2S C4S H4SC 107.7 . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
O23T S8 O24T 102(2) . . ?
O23T S8 O26T 121(2) . . ?
O23T S8 C8T 111(2) . . ?
O24T S8 O26T 110.6(14) . . ?
O24T S8 C8T 113.6(17) . . ?
O26T S8 C8T 99.4(16) . . ?
F22T C8T S8 142(3) . . ?
F22T C8T F23T 100(3) . . ?
F22T C8T F24T 100(2) . . ?
F23T C8T S8 97(2) . . ?
F24T C8T S8 101(2) . . ?
F24T C8T F23T 119(4) . . ?
F19T C7T S7 121(2) . . ?
F20T C7T F19T 115(3) . . ?
F20T C7T F21T 77(3) . . ?
F20T C7T S7 106(2) . . ?
F21T C7T F19T 72(3) . . ?
F21T C7T S7 80(2) . . ?
C7T F19T F21T 54.2(15) . . ?
C7T F20T F21T 51.8(15) . . ?
C7T F21T F19T 54.3(15) . . ?
C7T F21T F20T 51.1(16) . . ?
C7T F21T S7 57.9(16) . . ?
F19T F21T F20T 89(2) . . ?
F19T F21T S7 96(2) . . ?
F20T F21T S7 83(2) . . ?
C7T S7 F21T 41.8(10) . . ?
O19T S7 C7T 121.6(14) . . ?
O19T S7 F21T 89.1(14) . . ?
O20T S7 C7T 105.4(17) . . ?
O20T S7 F21T 123(2) . . ?
O20T S7 O19T 71.6(17) . . ?
O21T S7 C7T 112.8(15) . . ?
O21T S7 F21T 103.4(18) . . ?
O21T S7 O19T 107.0(14) . . ?
O21T S7 O20T 134(2) . . ?
S7 O19T O20T 54.2(10) . . ?
S7 O20T O19T 54.2(11) . . ?
O13T S5 O15T 111.4(14) . . ?
O13T S5 C5T 107.0(9) . . ?
O14T S5 O13T 138.5(15) . . ?
O14T S5 O15T 90.9(17) . . ?
O14T S5 C5T 107.8(14) . . ?
C5T S5 O15T 89.4(14) . . ?
S5 C5T F13T 113.9(12) . . ?
F14T C5T S5 117.7(15) . . ?
F14T C5T F13T 107.1(15) . . ?
F14T C5T F15T 103.6(15) . . ?
F15T C5T S5 127.5(12) . . ?
F15T C5T F13T 80.0(11) . . ?
F1TA C1TA S1A 98.4(17) . . ?
F2TA C1TA F1TA 120(2) . . ?
F2TA C1TA S1A 105.9(18) . . ?
F3TA C1TA F1TA 115(2) . . ?
F3TA C1TA F2TA 111(2) . . ?
F3TA C1TA S1A 104.0(18) . . ?
O1TA S1A C1TA 116.4(14) . . ?
O1TA S1A O2TA 105.7(17) . . ?
O1TA S1A O3TA 124.0(17) . . ?
O2TA S1A C1TA 93.5(12) . . ?
O3TA S1A C1TA 110.2(13) . . ?
O3TA S1A O2TA 100.5(16) . . ?
F1TB C1TB S1B 101.6(11) . . ?
F2TB C1TB F1TB 105.9(15) . . ?
F2TB C1TB S1B 113.2(13) . . ?
F3TB C1TB F1TB 107.8(16) . . ?
F3TB C1TB F2TB 111.0(15) . . ?
F3TB C1TB S1B 116.2(13) . . ?
O1TB S1B C1TB 109.5(8) . . ?
O1TB S1B O2TB 106.6(7) . . ?
O1TB S1B O3TB 117.7(8) . . ?
O2TB S1B C1TB 101.8(8) . . ?
O3TB S1B C1TB 109.2(8) . . ?
O3TB S1B O2TB 110.9(7) . . ?
F4T C2T F5T 109(2) . . ?
F4T C2T F6T 115(2) . . ?
F4T C2T S2 116.1(18) . . ?
F5T C2T F6T 96(2) . . ?
F5T C2T S2 111.8(17) . . ?
F6T C2T S2 107.2(16) . . ?
O4T S2 C2T 100.8(12) . . ?
O5T S2 C2T 99.5(12) . . ?
O5T S2 O4T 107.9(15) . . ?
O5T S2 O6T 127.6(15) . . ?
O6T S2 C2T 106.4(13) . . ?
O6T S2 O4T 110.7(15) . . ?
F3 C1A F4 102(2) . . ?
F3 C1A F5 114.8(19) . . ?
F3 C1A S9 117.4(17) . . ?
F4 C1A S9 107.8(16) . . ?
F5 C1A F4 106(2) . . ?
F5 C1A S9 107.8(15) . . ?
O7 S9 C1A 102.8(11) . . ?
O7 S9 O8 109.2(14) . . ?
O8 S9 C1A 103.2(11) . . ?
O9 S9 C1A 105.2(11) . . ?
O9 S9 O7 117.0(14) . . ?
O9 S9 O8 117.3(14) . . ?
O7T S3 O8T 117.5(8) . . ?
O7T S3 O9T 113.7(9) . . ?
O7T S3 C3T 107.2(13) . . ?
O8T S3 O9T 114.7(8) . . ?
O8T S3 C3T 104.4(12) . . ?
O9T S3 C3T 96.2(12) . . ?
F7T C3T S3 115.7(19) . . ?
F7T C3T F9T 100(2) . . ?
F8T C3T S3 123(2) . . ?
F8T C3T F7T 104(2) . . ?
F8T C3T F9T 99.6(19) . . ?
F9T C3T S3 111.8(19) . . ?
F16T C6T S6 100.1(17) . . ?
F17T C6T F16T 108(2) . . ?
F17T C6T S6 115.5(18) . . ?
F18T C6T F16T 110(2) . . ?
F18T C6T F17T 116(2) . . ?
F18T C6T S6 105.4(13) . . ?
O16T S6 C6T 103.2(9) . . ?
O16T S6 O17T 108.0(10) . . ?
O17T S6 C6T 106.4(11) . . ?
O18T S6 C6T 111.8(9) . . ?
O18T S6 O16T 111.5(8) . . ?
O18T S6 O17T 115.1(9) . . ?
F10T C4T S4 106.2(13) . . ?
F11T C4T S4 112.1(16) . . ?
F11T C4T F10T 108.2(18) . . ?
F11T C4T F12T 107.2(17) . . ?
F12T C4T S4 110.9(14) . . ?
F12T C4T F10T 112.2(17) . . ?
O10T S4 C4T 104.2(12) . . ?
O11T S4 C4T 104.7(10) . . ?
O11T S4 O10T 117.2(12) . . ?
O12T S4 C4T 104.9(9) . . ?
O12T S4 O10T 108.2(10) . . ?
O12T S4 O11T 116.1(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N4 2.616(7) . ?
Eu1 N4C 2.606(7) . ?
Eu1 N4B 2.573(7) . ?
Eu1 N6B 2.601(7) . ?
Eu1 N6C 2.611(7) . ?
Eu1 N6 2.615(7) . ?
Eu1 N7B 2.587(8) . ?
Eu1 N7 2.581(6) . ?
Eu1 N7C 2.538(6) . ?
Eu2 O1 2.428(6) . ?
Eu2 O1C 2.388(6) . ?
Eu2 O1B 2.350(6) . ?
Eu2 N9 2.585(7) . ?
Eu2 N9C 2.589(6) . ?
Eu2 N9B 2.559(7) . ?
Eu2 N11C 2.582(7) . ?
Eu2 N11 2.624(6) . ?
Eu2 N11B 2.580(8) . ?
Eu2 C46 3.241(8) . ?
Eu2 C46B 3.183(8) . ?
Eu2 C46C 3.224(11) . ?
Zn1 N1C 2.211(7) . ?
Zn1 N1 2.197(7) . ?
Zn1 N1B 2.173(6) . ?
Zn1 N2 2.087(8) . ?
Zn1 N2C 2.112(6) . ?
Zn1 N2B 2.117(6) . ?
O1 C46 1.261(10) . ?
O1C C46C 1.257(12) . ?
O1B C46B 1.199(11) . ?
N1C C1C 1.321(11) . ?
N1C C5C 1.322(12) . ?
N1 C1 1.366(11) . ?
N1 C5 1.332(14) . ?
N1B C1B 1.342(10) . ?
N1B C5B 1.358(10) . ?
N2 C6 1.315(12) . ?
N2 C7 1.366(12) . ?
N2C C6C 1.335(10) . ?
N2C C7C 1.406(10) . ?
N2B C6B 1.328(10) . ?
N2B C7B 1.377(9) . ?
N3C C6C 1.378(12) . ?
N3C C12C 1.363(13) . ?
N3C C52C 1.422(12) . ?
N3 C6 1.353(13) . ?
N3 C12 1.366(16) . ?
N3 C52 1.498(15) . ?
N3B C6B 1.347(10) . ?
N3B C12B 1.364(10) . ?
N3B C52B 1.489(11) . ?
N4 C16 1.397(10) . ?
N4 C17 1.310(11) . ?
N4C C16C 1.358(11) . ?
N4C C17C 1.337(11) . ?
N4B C16B 1.396(12) . ?
N4B C17B 1.303(11) . ?
N5C C17C 1.338(12) . ?
N5C C18C 1.347(13) . ?
N5C C53C 1.473(14) . ?
N5B C17B 1.378(11) . ?
N5B C18B 1.365(13) . ?
N5B C53B 1.470(12) . ?
N5 C17 1.367(11) . ?
N5 C18 1.382(14) . ?
N5 C53 1.498(14) . ?
N6B C21B 1.336(12) . ?
N6B C25B 1.311(12) . ?
N6C C21C 1.357(13) . ?
N6C C25C 1.327(11) . ?
N6 C21 1.340(10) . ?
N6 C25 1.382(10) . ?
N7B C26B 1.342(12) . ?
N7B C27B 1.426(11) . ?
N7 C26 1.342(10) . ?
N7 C27 1.380(10) . ?
N7C C26C 1.312(10) . ?
N7C C27C 1.422(11) . ?
N8B C26B 1.327(12) . ?
N8B C32B 1.393(15) . ?
N8B C54B 1.509(14) . ?
N8C C26C 1.365(11) . ?
N8C C32C 1.379(13) . ?
N8C C54C 1.468(12) . ?
N8 C26 1.359(9) . ?
N8 C32 1.342(11) . ?
N8 C54 1.468(11) . ?
N9 C36 1.409(11) . ?
N9 C37 1.328(10) . ?
N9C C36C 1.383(11) . ?
N9C C37C 1.296(11) . ?
N9B C36B 1.411(11) . ?
N9B C37B 1.351(11) . ?
N10B C37B 1.389(12) . ?
N10B C38B 1.364(14) . ?
N10B C55B 1.508(14) . ?
N10 C37 1.345(11) . ?
N10 C38 1.410(12) . ?
N10 C55 1.452(11) . ?
N10C C37C 1.384(10) . ?
N10C C38C 1.381(12) . ?
N10C C55C 1.508(12) . ?
N11C C41C 1.324(11) . ?
N11C C45C 1.347(12) . ?
N11 C41 1.373(11) . ?
N11 C45 1.323(11) . ?
N11B C41B 1.329(12) . ?
N11B C45B 1.355(12) . ?
N12B C46B 1.345(12) . ?
N12B C47B 1.477(16) . ?
N12B C49B 1.42(2) . ?
N12C C46C 1.346(12) . ?
N12C C47C 1.491(12) . ?
N12C C49C 1.453(14) . ?
N12 C46 1.331(12) . ?
N12 C47 1.516(18) . ?
N12 C49 1.439(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.396(13) . ?
C1B H1B 0.9500 . ?
C1B C2B 1.408(12) . ?
C1C H1C 0.9500 . ?
C1C C2C 1.378(15) . ?
C2C C3C 1.374(18) . ?
C2C C51C 1.532(16) . ?
C2B C3B 1.356(14) . ?
C2B C51B 1.480(13) . ?
C2 C3 1.39(2) . ?
C2 C51 1.509(19) . ?
C3C H3C 0.9500 . ?
C3C C4C 1.390(17) . ?
C3B H3B 0.9500 . ?
C3B C4B 1.375(14) . ?
C3 H3 0.9500 . ?
C3 C4 1.38(2) . ?
C4C H4C 0.9500 . ?
C4C C5C 1.385(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.455(14) . ?
C4B H4B 0.9500 . ?
C4B C5B 1.374(11) . ?
C5 C6 1.468(16) . ?
C5B C6B 1.471(11) . ?
C5C C6C 1.479(14) . ?
C7C C8C 1.401(12) . ?
C7C C12C 1.404(11) . ?
C7B C8B 1.377(11) . ?
C7B C12B 1.404(11) . ?
C7 C8 1.380(14) . ?
C7 C12 1.401(14) . ?
C8B H8B 0.9500 . ?
C8B C9B 1.356(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.420(12) . ?
C8C H8C 0.9500 . ?
C8C C9C 1.398(12) . ?
C9C C10C 1.432(15) . ?
C9C C13C 1.499(14) . ?
C9 C10 1.420(17) . ?
C9 C13 1.456(18) . ?
C9B C10B 1.418(13) . ?
C9B C13B 1.528(12) . ?
C10B H10B 0.9500 . ?
C10B C11B 1.345(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.41(2) . ?
C10C H10C 0.9500 . ?
C10C C11C 1.315(16) . ?
C11 H11 0.9500 . ?
C11 C12 1.368(18) . ?
C11C H11C 0.9500 . ?
C11C C12C 1.409(14) . ?
C11B H11B 0.9500 . ?
C11B C12B 1.394(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.554(17) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C13B C14B 1.552(13) . ?
C13C H13E 0.9900 . ?
C13C H13F 0.9900 . ?
C13C C14C 1.546(14) . ?
C14C C15C 1.365(11) . ?
C14C C20C 1.361(16) . ?
C14 C15 1.399(12) . ?
C14 C20 1.389(17) . ?
C14B C15B 1.356(11) . ?
C14B C20B 1.391(12) . ?
C15B H15B 0.9500 . ?
C15B C16B 1.366(13) . ?
C15C H15C 0.9500 . ?
C15C C16C 1.395(13) . ?
C15 H15 0.9500 . ?
C15 C16 1.348(14) . ?
C16 C18 1.414(14) . ?
C16C C18C 1.365(13) . ?
C16B C18B 1.450(11) . ?
C17C C21C 1.462(14) . ?
C17B C21B 1.442(14) . ?
C17 C21 1.458(12) . ?
C18B C19B 1.415(15) . ?
C18C C19C 1.369(15) . ?
C18 C19 1.408(13) . ?
C19C H19C 0.9500 . ?
C19C C20C 1.401(17) . ?
C19B H19B 0.9500 . ?
C19B C20B 1.373(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.336(18) . ?
C20B H20B 0.9500 . ?
C20C H20C 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.397(13) . ?
C21C C22C 1.340(14) . ?
C21B C22B 1.415(14) . ?
C22B H22B 0.9500 . ?
C22B C23B 1.372(18) . ?
C22C H22C 0.9500 . ?
C22C C23C 1.396(19) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(13) . ?
C23C H23C 0.9500 . ?
C23C C24C 1.37(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.391(13) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.354(18) . ?
C24B H24B 0.9500 . ?
C24B C25B 1.374(14) . ?
C24 H24 0.9500 . ?
C24 C25 1.392(12) . ?
C24C H24C 0.9500 . ?
C24C C25C 1.408(12) . ?
C25C C26C 1.443(14) . ?
C25B C26B 1.503(14) . ?
C25 C26 1.464(12) . ?
C27 C28 1.382(12) . ?
C27 C32 1.415(11) . ?
C27C C28C 1.400(12) . ?
C27C C32C 1.379(12) . ?
C27B C28B 1.386(14) . ?
C27B C32B 1.397(14) . ?
C28B H28B 0.9500 . ?
C28B C29B 1.375(12) . ?
C28C H28C 0.9500 . ?
C28C C29C 1.345(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.379(11) . ?
C29 C30 1.413(13) . ?
C29 C33 1.501(13) . ?
C29B C30B 1.445(19) . ?
C29B C33B 1.505(16) . ?
C29C C30C 1.429(14) . ?
C29C C33C 1.572(15) . ?
C30 H30 0.9500 . ?
C30 C31 1.394(14) . ?
C30B H30B 0.9500 . ?
C30B C31B 1.363(19) . ?
C30C H30C 0.9500 . ?
C30C C31C 1.328(16) . ?
C31C H31C 0.9500 . ?
C31C C32C 1.443(15) . ?
C31 H31 0.9500 . ?
C31 C32 1.413(12) . ?
C31B H31B 0.9500 . ?
C31B C32B 1.355(16) . ?
C33B H33B 0.9500 . ?
C33B C34B 1.472(17) . ?
C33C H33A 0.9900 . ?
C33C H33C 0.9900 . ?
C33C C34C 1.517(15) . ?
C33 H33D 0.9900 . ?
C33 H33E 0.9900 . ?
C33 C34 1.565(13) . ?
C34B C35B 1.399(13) . ?
C34B C40B 1.424(16) . ?
C34C C35C 1.406(12) . ?
C34C C40C 1.409(14) . ?
C34 C35 1.369(12) . ?
C34 C40 1.359(14) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(11) . ?
C35C H35C 0.9500 . ?
C35C C36C 1.384(13) . ?
C35B H35B 0.9500 . ?
C35B C36B 1.390(14) . ?
C36B C38B 1.364(13) . ?
C36 C38 1.395(12) . ?
C36C C38C 1.398(11) . ?
C37B C41B 1.439(14) . ?
C37C C41C 1.492(14) . ?
C37 C41 1.470(12) . ?
C38 C39 1.395(14) . ?
C38C C39C 1.416(13) . ?
C38B C39B 1.389(15) . ?
C39 H39 0.9500 . ?
C39 C40 1.382(16) . ?
C39C H39C 0.9500 . ?
C39C C40C 1.383(15) . ?
C39B H39B 0.9500 . ?
C39B C40B 1.345(17) . ?
C40 H40 0.9500 . ?
C40C H40C 0.9500 . ?
C40B H40B 0.9500 . ?
C41B C42B 1.420(14) . ?
C41 C42 1.338(12) . ?
C41C C42C 1.398(14) . ?
C42C H42C 0.9500 . ?
C42C C43C 1.381(16) . ?
C42B H42B 0.9500 . ?
C42B C43B 1.372(18) . ?
C42 H42 0.9500 . ?
C42 C43 1.309(13) . ?
C43 H43 0.9500 . ?
C43 C44 1.372(14) . ?
C43B H43B 0.9500 . ?
C43B C44B 1.421(18) . ?
C43C H43C 0.9500 . ?
C43C C44C 1.353(15) . ?
C44C H44C 0.9500 . ?
C44C C45C 1.378(14) . ?
C44 H44 0.9500 . ?
C44 C45 1.446(12) . ?
C44B H44B 0.9500 . ?
C44B C45B 1.336(15) . ?
C45 C46 1.475(13) . ?
C45B C46B 1.524(15) . ?
C45C C46C 1.514(13) . ?
C47C H47A 0.9900 . ?
C47C H47B 0.9900 . ?
C47C C48C 1.501(15) . ?
C47B H47C 0.9900 . ?
C47B H47D 0.9900 . ?
C47B C48B 1.553(15) . ?
C47 H47 0.9500 . ?
C47 C48 1.41(2) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C48B H48D 0.9800 . ?
C48B H48E 0.9800 . ?
C48B H48F 0.9800 . ?
C48C H48G 0.9800 . ?
C48C H48H 0.9800 . ?
C48C H48I 0.9800 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.539(19) . ?
C49C H49C 0.9900 . ?
C49C H49D 0.9900 . ?
C49C C50C 1.56(2) . ?
C49B H49E 0.9900 . ?
C49B H49F 0.9900 . ?
C49B C50B 1.66(3) . ?
C50B H50A 0.9800 . ?
C50B H50B 0.9800 . ?
C50B H50C 0.9800 . ?
C50C H50D 0.9800 . ?
C50C H50E 0.9800 . ?
C50C H50F 0.9800 . ?
C50 H50G 0.9800 . ?
C50 H50H 0.9800 . ?
C50 H50I 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51B H51D 0.9800 . ?
C51B H51E 0.9800 . ?
C51B H51F 0.9800 . ?
C51C H51G 0.9800 . ?
C51C H51H 0.9800 . ?
C51C H51I 0.9800 . ?
C52C H52A 0.9800 . ?
C52C H52B 0.9800 . ?
C52C H52C 0.9800 . ?
C52 H52D 0.9800 . ?
C52 H52E 0.9800 . ?
C52 H52F 0.9800 . ?
C52B H52G 0.9800 . ?
C52B H52H 0.9800 . ?
C52B H52I 0.9800 . ?
C53B H53A 0.9800 . ?
C53B H53B 0.9800 . ?
C53B H53C 0.9800 . ?
C53C H53D 0.9800 . ?
C53C H53E 0.9800 . ?
C53C H53F 0.9800 . ?
C53 H53G 0.9800 . ?
C53 H53H 0.9800 . ?
C53 H53I 0.9800 . ?
C54B H54A 0.9800 . ?
C54B H54B 0.9800 . ?
C54B H54C 0.9800 . ?
C54 H54D 0.9800 . ?
C54 H54E 0.9800 . ?
C54 H54F 0.9800 . ?
C54C H54G 0.9800 . ?
C54C H54H 0.9800 . ?
C54C H54I 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C55C H55D 0.9800 . ?
C55C H55E 0.9800 . ?
C55C H55F 0.9800 . ?
C55B H55G 0.9800 . ?
C55B H55H 0.9800 . ?
C55B H55I 0.9800 . ?
O1S C2S 1.51(2) . ?
C2S H2S 1.0000 . ?
C2S C3S 1.40(3) . ?
C2S C4S 1.60(2) . ?
C3S H3SA 0.9804 . ?
C3S H3SB 0.9802 . ?
C3S H3SC 0.9793 . ?
C4S H4SA 0.9801 . ?
C4S H4SB 0.9806 . ?
C4S H4SC 0.9800 . ?
S8 O23T 1.33(4) . ?
S8 O24T 1.46(2) . ?
S8 O26T 1.48(2) . ?
S8 C8T 1.796(19) . ?
F22T C8T 1.307(19) . ?
F23T C8T 1.32(2) . ?
F24T C8T 1.32(2) . ?
C7T F19T 1.343(19) . ?
C7T F20T 1.329(19) . ?
C7T F21T 1.34(2) . ?
C7T S7 1.706(17) . ?
F19T F21T 1.57(5) . ?
F20T F21T 1.67(5) . ?
F21T S7 1.98(4) . ?
S7 O19T 1.386(13) . ?
S7 O20T 1.385(18) . ?
S7 O21T 1.318(16) . ?
O19T O20T 1.62(3) . ?
S5 O13T 1.395(13) . ?
S5 O14T 1.34(3) . ?
S5 O15T 1.49(3) . ?
S5 C5T 1.477(12) . ?
F13T C5T 1.53(2) . ?
F14T C5T 1.21(2) . ?
F15T C5T 1.430(18) . ?
C1TA F1TA 1.332(16) . ?
C1TA F2TA 1.326(15) . ?
C1TA F3TA 1.320(15) . ?
C1TA S1A 1.812(15) . ?
S1A O1TA 1.385(13) . ?
S1A O2TA 1.495(14) . ?
S1A O3TA 1.421(13) . ?
C1TB F1TB 1.369(18) . ?
C1TB F2TB 1.335(16) . ?
C1TB F3TB 1.311(16) . ?
C1TB S1B 1.805(16) . ?
S1B O1TB 1.394(10) . ?
S1B O2TB 1.457(11) . ?
S1B O3TB 1.433(10) . ?
C2T F4T 1.25(2) . ?
C2T F5T 1.359(19) . ?
C2T F6T 1.38(2) . ?
C2T S2 1.713(17) . ?
S2 O4T 1.470(18) . ?
S2 O5T 1.412(17) . ?
S2 O6T 1.413(17) . ?
C1A F3 1.312(16) . ?
C1A F4 1.342(15) . ?
C1A F5 1.340(16) . ?
C1A S9 1.739(14) . ?
S9 O7 1.436(14) . ?
S9 O8 1.440(14) . ?
S9 O9 1.420(14) . ?
S3 O7T 1.400(12) . ?
S3 O8T 1.433(9) . ?
S3 O9T 1.440(11) . ?
S3 C3T 1.69(3) . ?
F7T C3T 1.37(3) . ?
F8T C3T 1.31(2) . ?
F9T C3T 1.45(2) . ?
C6T F16T 1.350(14) . ?
C6T F17T 1.327(13) . ?
C6T F18T 1.323(13) . ?
C6T S6 1.745(16) . ?
S6 O16T 1.487(12) . ?
S6 O17T 1.520(14) . ?
S6 O18T 1.418(10) . ?
C4T S4 1.761(15) . ?
C4T F10T 1.356(16) . ?
C4T F11T 1.308(17) . ?
C4T F12T 1.336(16) . ?
S4 O10T 1.454(12) . ?
S4 O11T 1.446(11) . ?
S4 O12T 1.427(9) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 N4 C16 C15 37.2(12) . . . . ?
Eu1 N4 C16 C18 -142.8(6) . . . . ?
Eu1 N4 C17 N5 147.6(5) . . . . ?
Eu1 N4 C17 C21 -35.9(8) . . . . ?
Eu1 N4C C16C C15C 18.5(16) . . . . ?
Eu1 N4C C16C C18C -164.1(7) . . . . ?
Eu1 N4C C17C N5C 167.3(6) . . . . ?
Eu1 N4C C17C C21C -22.5(11) . . . . ?
Eu1 N4B C16B C15B 33.3(12) . . . . ?
Eu1 N4B C16B C18B -149.3(6) . . . . ?
Eu1 N4B C17B N5B 153.0(6) . . . . ?
Eu1 N4B C17B C21B -30.0(10) . . . . ?
Eu1 N6B C21B C17B 6.9(11) . . . . ?
Eu1 N6B C21B C22B -176.6(8) . . . . ?
Eu1 N6B C25B C24B 174.4(8) . . . . ?
Eu1 N6B C25B C26B 3.3(10) . . . . ?
Eu1 N6C C21C C17C 11.7(11) . . . . ?
Eu1 N6C C21C C22C -168.7(11) . . . . ?
Eu1 N6C C25C C24C 173.4(8) . . . . ?
Eu1 N6C C25C C26C 0.3(11) . . . . ?
Eu1 N6 C21 C17 8.2(8) . . . . ?
Eu1 N6 C21 C22 179.8(6) . . . . ?
Eu1 N6 C25 C24 179.8(6) . . . . ?
Eu1 N6 C25 C26 4.2(7) . . . . ?
Eu1 N7B C26B N8B 142.2(7) . . . . ?
Eu1 N7B C26B C25B -41.0(9) . . . . ?
Eu1 N7B C27B C28B 44.7(13) . . . . ?
Eu1 N7B C27B C32B -132.2(8) . . . . ?
Eu1 N7 C26 N8 142.9(5) . . . . ?
Eu1 N7 C26 C25 -40.5(8) . . . . ?
Eu1 N7 C27 C28 47.2(11) . . . . ?
Eu1 N7 C27 C32 -136.0(6) . . . . ?
Eu1 N7C C26C N8C 145.3(6) . . . . ?
Eu1 N7C C26C C25C -37.4(10) . . . . ?
Eu1 N7C C27C C28C 42.6(11) . . . . ?
Eu1 N7C C27C C32C -138.4(6) . . . . ?
Eu2 O1 C46 N12 135.9(8) . . . . ?
Eu2 O1 C46 C45 -42.3(9) . . . . ?
Eu2 O1C C46C N12C 147.2(7) . . . . ?
Eu2 O1C C46C C45C -33.6(11) . . . . ?
Eu2 O1B C46B N12B -140.2(8) . . . . ?
Eu2 O1B C46B C45B 36.1(11) . . . . ?
Eu2 N9 C36 C35 7.8(14) . . . . ?
Eu2 N9 C36 C38 -173.0(6) . . . . ?
Eu2 N9 C37 N10 173.8(5) . . . . ?
Eu2 N9 C37 C41 -3.3(10) . . . . ?
Eu2 N9C C36C C35C 7.3(14) . . . . ?
Eu2 N9C C36C C38C -169.7(6) . . . . ?
Eu2 N9C C37C N10C 173.2(6) . . . . ?
Eu2 N9C C37C C41C -6.9(11) . . . . ?
Eu2 N9B C36B C35B 13.5(13) . . . . ?
Eu2 N9B C36B C38B -166.4(6) . . . . ?
Eu2 N9B C37B N10B 169.2(5) . . . . ?
Eu2 N9B C37B C41B -14.7(10) . . . . ?
Eu2 N11C C41C C37C 24.6(11) . . . . ?
Eu2 N11C C41C C42C -151.9(9) . . . . ?
Eu2 N11C C45C C44C 153.1(9) . . . . ?
Eu2 N11C C45C C46C -17.9(10) . . . . ?
Eu2 N11 C41 C37 19.7(9) . . . . ?
Eu2 N11 C41 C42 -158.4(7) . . . . ?
Eu2 N11 C45 C44 157.5(7) . . . . ?
Eu2 N11 C45 C46 -15.3(9) . . . . ?
Eu2 N11B C41B C37B -11.7(10) . . . . ?
Eu2 N11B C41B C42B 167.7(7) . . . . ?
Eu2 N11B C45B C44B -167.4(8) . . . . ?
Eu2 N11B C45B C46B 9.6(10) . . . . ?
Zn1 N1C C1C C2C -162.4(8) . . . . ?
Zn1 N1C C5C C4C 160.6(8) . . . . ?
Zn1 N1C C5C C6C -15.4(9) . . . . ?
Zn1 N1 C1 C2 -162.6(8) . . . . ?
Zn1 N1 C5 C4 162.7(8) . . . . ?
Zn1 N1 C5 C6 -16.4(9) . . . . ?
Zn1 N1B C1B C2B -166.9(6) . . . . ?
Zn1 N1B C5B C4B 163.2(7) . . . . ?
Zn1 N1B C5B C6B -14.4(8) . . . . ?
Zn1 N2 C6 N3 168.7(7) . . . . ?
Zn1 N2 C6 C5 -6.9(10) . . . . ?
Zn1 N2 C7 C8 12.7(15) . . . . ?
Zn1 N2 C7 C12 -163.9(7) . . . . ?
Zn1 N2C C6C N3C -179.9(5) . . . . ?
Zn1 N2C C6C C5C 0.0(9) . . . . ?
Zn1 N2C C7C C8C -1.4(12) . . . . ?
Zn1 N2C C7C C12C 178.6(6) . . . . ?
Zn1 N2B C6B N3B 175.0(5) . . . . ?
Zn1 N2B C6B C5B -2.7(9) . . . . ?
Zn1 N2B C7B C8B 5.8(13) . . . . ?
Zn1 N2B C7B C12B -172.1(6) . . . . ?
N1C C1C C2C C3C 5.0(16) . . . . ?
N1C C1C C2C C51C -178.8(10) . . . . ?
N1C C5C C6C N2C 10.7(11) . . . . ?
N1C C5C C6C N3C -169.4(8) . . . . ?
N1 C1 C2 C3 1.7(16) . . . . ?
N1 C1 C2 C51 -176.1(9) . . . . ?
N1 C5 C6 N2 16.3(12) . . . . ?
N1 C5 C6 N3 -158.8(9) . . . . ?
N1B C1B C2B C3B 5.3(14) . . . . ?
N1B C1B C2B C51B -174.2(9) . . . . ?
N1B C5B C6B N2B 11.4(11) . . . . ?
N1B C5B C6B N3B -165.7(8) . . . . ?
N2 C7 C8 C9 -175.4(8) . . . . ?
N2 C7 C12 N3 1.1(12) . . . . ?
N2 C7 C12 C11 178.9(10) . . . . ?
N2C C7C C8C C9C -176.5(7) . . . . ?
N2C C7C C12C N3C 2.2(8) . . . . ?
N2C C7C C12C C11C 176.8(7) . . . . ?
N2B C7B C8B C9B -176.4(8) . . . . ?
N2B C7B C12B N3B 1.9(8) . . . . ?
N2B C7B C12B C11B 178.6(7) . . . . ?
N4 C16 C18 N5 -1.4(9) . . . . ?
N4 C16 C18 C19 -179.9(8) . . . . ?
N4 C17 C21 N6 19.0(10) . . . . ?
N4 C17 C21 C22 -152.3(8) . . . . ?
N4C C16C C18C N5C -0.2(12) . . . . ?
N4C C16C C18C C19C 175.7(11) . . . . ?
N4C C17C C21C N6C 7.5(13) . . . . ?
N4C C17C C21C C22C -172.1(12) . . . . ?
N4B C16B C18B N5B 0.3(9) . . . . ?
N4B C16B C18B C19B -179.5(8) . . . . ?
N4B C17B C21B N6B 15.6(12) . . . . ?
N4B C17B C21B C22B -160.6(11) . . . . ?
N5C C17C C21C N6C 175.8(9) . . . . ?
N5C C17C C21C C22C -3.8(19) . . . . ?
N5C C18C C19C C20C -176.3(13) . . . . ?
N5B C17B C21B N6B -167.9(9) . . . . ?
N5B C17B C21B C22B 15.9(17) . . . . ?
N5B C18B C19B C20B 178.8(10) . . . . ?
N5 C17 C21 N6 -165.1(7) . . . . ?
N5 C17 C21 C22 23.5(13) . . . . ?
N5 C18 C19 C20 -179.5(10) . . . . ?
N6B C21B C22B C23B -1.0(19) . . . . ?
N6B C25B C26B N7B 25.8(12) . . . . ?
N6B C25B C26B N8B -158.1(10) . . . . ?
N6C C21C C22C C23C -6(2) . . . . ?
N6C C25C C26C N7C 24.9(13) . . . . ?
N6C C25C C26C N8C -158.1(9) . . . . ?
N6 C21 C22 C23 1.0(12) . . . . ?
N6 C25 C26 N7 24.8(9) . . . . ?
N6 C25 C26 N8 -159.1(7) . . . . ?
N7B C27B C28B C29B -178.0(9) . . . . ?
N7B C27B C32B N8B -5.5(12) . . . . ?
N7B C27B C32B C31B 177.5(11) . . . . ?
N7 C27 C28 C29 -178.5(8) . . . . ?
N7 C27 C32 N8 -1.3(9) . . . . ?
N7 C27 C32 C31 178.0(7) . . . . ?
N7C C27C C28C C29C -178.4(7) . . . . ?
N7C C27C C32C N8C -1.9(9) . . . . ?
N7C C27C C32C C31C 177.5(8) . . . . ?
N9 C36 C38 N10 1.2(10) . . . . ?
N9 C36 C38 C39 179.8(9) . . . . ?
N9 C37 C41 N11 -10.6(12) . . . . ?
N9 C37 C41 C42 167.3(9) . . . . ?
N9C C36C C38C N10C -2.2(10) . . . . ?
N9C C36C C38C C39C 177.7(8) . . . . ?
N9C C37C C41C N11C -11.4(14) . . . . ?
N9C C37C C41C C42C 164.9(11) . . . . ?
N9B C36B C38B N10B 0.2(10) . . . . ?
N9B C36B C38B C39B 178.0(9) . . . . ?
N9B C37B C41B N11B 17.4(12) . . . . ?
N9B C37B C41B C42B -161.9(9) . . . . ?
N10B C37B C41B N11B -167.3(8) . . . . ?
N10B C37B C41B C42B 13.4(15) . . . . ?
N10B C38B C39B C40B 179.3(11) . . . . ?
N10 C37 C41 N11 172.6(8) . . . . ?
N10 C37 C41 C42 -9.5(16) . . . . ?
N10 C38 C39 C40 177.7(10) . . . . ?
N10C C37C C41C N11C 168.4(9) . . . . ?
N10C C37C C41C C42C -15.3(17) . . . . ?
N10C C38C C39C C40C 177.5(10) . . . . ?
N11C C41C C42C C43C 0.2(19) . . . . ?
N11C C45C C46C Eu2 12.9(7) . . . . ?
N11C C45C C46C O1C 33.6(13) . . . . ?
N11C C45C C46C N12C -147.2(9) . . . . ?
N11 C41 C42 C43 4.6(16) . . . . ?
N11 C45 C46 Eu2 11.2(7) . . . . ?
N11 C45 C46 O1 37.5(11) . . . . ?
N11 C45 C46 N12 -140.8(9) . . . . ?
N11B C41B C42B C43B 2.8(16) . . . . ?
N11B C45B C46B Eu2 -6.8(7) . . . . ?
N11B C45B C46B O1B -27.9(12) . . . . ?
N11B C45B C46B N12B 148.3(9) . . . . ?
C1 N1 C5 C4 -3.5(13) . . . . ?
C1 N1 C5 C6 177.4(8) . . . . ?
C1 C2 C3 C4 -3.1(18) . . . . ?
C1B N1B C5B C4B -2.6(12) . . . . ?
C1B N1B C5B C6B 179.8(7) . . . . ?
C1B C2B C3B C4B -2.9(15) . . . . ?
C1C N1C C5C C4C -0.7(13) . . . . ?
C1C N1C C5C C6C -176.7(8) . . . . ?
C1C C2C C3C C4C -3.1(19) . . . . ?
C2C C3C C4C C5C -0.2(18) . . . . ?
C2B C3B C4B C5B -1.9(16) . . . . ?
C2 C3 C4 C5 1.3(17) . . . . ?
C3C C4C C5C N1C 2.3(16) . . . . ?
C3C C4C C5C C6C 177.9(10) . . . . ?
C3B C4B C5B N1B 4.9(14) . . . . ?
C3B C4B C5B C6B -178.0(9) . . . . ?
C3 C4 C5 N1 2.1(15) . . . . ?
C3 C4 C5 C6 -178.9(10) . . . . ?
C4C C5C C6C N2C -165.3(8) . . . . ?
C4C C5C C6C N3C 14.6(15) . . . . ?
C4 C5 C6 N2 -162.8(9) . . . . ?
C4 C5 C6 N3 22.1(15) . . . . ?
C4B C5B C6B N2B -165.9(8) . . . . ?
C4B C5B C6B N3B 16.9(14) . . . . ?
C5 N1 C1 C2 1.6(14) . . . . ?
C5B N1B C1B C2B -2.5(12) . . . . ?
C5C N1C C1C C2C -3.1(14) . . . . ?
C6B N2B C7B C8B 174.8(8) . . . . ?
C6B N2B C7B C12B -3.1(8) . . . . ?
C6B N3B C12B C7B 0.0(9) . . . . ?
C6B N3B C12B C11B -176.0(9) . . . . ?
C6 N2 C7 C8 175.1(9) . . . . ?
C6 N2 C7 C12 -1.4(10) . . . . ?
C6 N3 C12 C7 -0.3(12) . . . . ?
C6 N3 C12 C11 -177.7(13) . . . . ?
C6C N2C C7C C8C 178.5(7) . . . . ?
C6C N2C C7C C12C -1.4(8) . . . . ?
C6C N3C C12C C7C -2.2(9) . . . . ?
C6C N3C C12C C11C -175.6(10) . . . . ?
C7C N2C C6C N3C 0.1(8) . . . . ?
C7C N2C C6C C5C -180.0(7) . . . . ?
C7C C8C C9C C10C -3.5(11) . . . . ?
C7C C8C C9C C13C 174.6(7) . . . . ?
C7B N2B C6B N3B 3.2(9) . . . . ?
C7B N2B C6B C5B -174.4(7) . . . . ?
C7B C8B C9B C10B -1.7(12) . . . . ?
C7B C8B C9B C13B 171.9(7) . . . . ?
C7 N2 C6 N3 1.3(11) . . . . ?
C7 N2 C6 C5 -174.3(8) . . . . ?
C7 C8 C9 C10 -3.5(13) . . . . ?
C7 C8 C9 C13 170.7(9) . . . . ?
C8B C7B C12B N3B -176.3(7) . . . . ?
C8B C7B C12B C11B 0.4(12) . . . . ?
C8B C9B C10B C11B 0.5(13) . . . . ?
C8B C9B C13B C14B 55.3(10) . . . . ?
C8 C7 C12 N3 -175.5(10) . . . . ?
C8 C7 C12 C11 2.2(16) . . . . ?
C8 C9 C10 C11 4.0(17) . . . . ?
C8 C9 C13 C14 38.1(14) . . . . ?
C8C C7C C12C N3C -177.7(7) . . . . ?
C8C C7C C12C C11C -3.1(12) . . . . ?
C8C C9C C10C C11C 3.9(14) . . . . ?
C8C C9C C13C C14C 48.9(11) . . . . ?
C9C C10C C11C C12C -3.6(16) . . . . ?
C9C C13C C14C C15C 48.1(12) . . . . ?
C9C C13C C14C C20C -130.0(11) . . . . ?
C9 C10 C11 C12 -1(2) . . . . ?
C9 C13 C14 C15 44.1(13) . . . . ?
C9 C13 C14 C20 -135.0(11) . . . . ?
C9B C10B C11B C12B 1.1(14) . . . . ?
C9B C13B C14B C15B 36.9(10) . . . . ?
C9B C13B C14B C20B -146.2(8) . . . . ?
C10B C9B C13B C14B -131.2(8) . . . . ?
C10B C11B C12B N3B 174.0(9) . . . . ?
C10B C11B C12B C7B -1.6(13) . . . . ?
C10 C9 C13 C14 -148.0(10) . . . . ?
C10 C11 C12 N3 175.2(13) . . . . ?
C10 C11 C12 C7 -1.9(18) . . . . ?
C10C C9C C13C C14C -133.1(9) . . . . ?
C10C C11C C12C N3C 176.0(10) . . . . ?
C10C C11C C12C C7C 3.0(14) . . . . ?
C12B N3B C6B N2B -2.1(9) . . . . ?
C12B N3B C6B C5B 175.3(8) . . . . ?
C12B C7B C8B C9B 1.3(11) . . . . ?
C12C N3C C6C N2C 1.3(9) . . . . ?
C12C N3C C6C C5C -178.6(9) . . . . ?
C12C C7C C8C C9C 3.4(11) . . . . ?
C12 N3 C6 N2 -0.6(12) . . . . ?
C12 N3 C6 C5 174.7(10) . . . . ?
C12 C7 C8 C9 0.6(14) . . . . ?
C13 C9 C10 C11 -170.2(12) . . . . ?
C13 C14 C15 C16 179.4(8) . . . . ?
C13 C14 C20 C19 179.2(10) . . . . ?
C13B C9B C10B C11B -173.2(8) . . . . ?
C13B C14B C15B C16B 175.2(7) . . . . ?
C13B C14B C20B C19B -178.6(8) . . . . ?
C13C C9C C10C C11C -174.1(10) . . . . ?
C13C C14C C15C C16C 178.1(8) . . . . ?
C13C C14C C20C C19C -175.2(11) . . . . ?
C14C C15C C16C N4C -179.1(9) . . . . ?
C14C C15C C16C C18C 3.8(14) . . . . ?
C14 C15 C16 N4 -178.6(8) . . . . ?
C14 C15 C16 C18 1.3(12) . . . . ?
C14B C15B C16B N4B -179.6(8) . . . . ?
C14B C15B C16B C18B 3.3(11) . . . . ?
C15B C14B C20B C19B -1.8(13) . . . . ?
C15B C16B C18B N5B 178.1(7) . . . . ?
C15B C16B C18B C19B -1.7(13) . . . . ?
C15C C14C C20C C19C 6.6(18) . . . . ?
C15C C16C C18C N5C 177.5(9) . . . . ?
C15C C16C C18C C19C -6.7(16) . . . . ?
C15 C14 C20 C19 0.0(16) . . . . ?
C15 C16 C18 N5 178.7(7) . . . . ?
C15 C16 C18 C19 0.2(13) . . . . ?
C16 N4 C17 N5 -3.2(9) . . . . ?
C16 N4 C17 C21 173.3(7) . . . . ?
C16 C18 C19 C20 -1.5(15) . . . . ?
C16C N4C C17C N5C -0.8(10) . . . . ?
C16C N4C C17C C21C 169.4(8) . . . . ?
C16C C18C C19C C20C 9(2) . . . . ?
C16B N4B C17B N5B -1.9(10) . . . . ?
C16B N4B C17B C21B 175.0(7) . . . . ?
C16B C18B C19B C20B -1.6(13) . . . . ?
C17C N4C C16C C15C -176.7(9) . . . . ?
C17C N4C C16C C18C 0.6(11) . . . . ?
C17C N5C C18C C16C -0.3(12) . . . . ?
C17C N5C C18C C19C -175.4(14) . . . . ?
C17C C21C C22C C23C 173.1(14) . . . . ?
C17B N4B C16B C15B -176.4(9) . . . . ?
C17B N4B C16B C18B 1.0(9) . . . . ?
C17B N5B C18B C16B -1.4(10) . . . . ?
C17B N5B C18B C19B 178.3(10) . . . . ?
C17B C21B C22B C23B 175.0(12) . . . . ?
C17 N4 C16 C15 -177.3(9) . . . . ?
C17 N4 C16 C18 2.8(8) . . . . ?
C17 N5 C18 C16 -0.4(9) . . . . ?
C17 N5 C18 C19 177.8(10) . . . . ?
C17 C21 C22 C23 171.5(8) . . . . ?
C18B N5B C17B N4B 2.1(10) . . . . ?
C18B N5B C17B C21B -174.6(9) . . . . ?
C18B C19B C20B C14B 3.3(14) . . . . ?
C18C N5C C17C N4C 0.7(11) . . . . ?
C18C N5C C17C C21C -168.6(10) . . . . ?
C18C C19C C20C C14C -9(2) . . . . ?
C18 N5 C17 N4 2.3(9) . . . . ?
C18 N5 C17 C21 -173.8(8) . . . . ?
C18 C19 C20 C14 1.4(17) . . . . ?
C20B C14B C15B C16B -1.7(11) . . . . ?
C20C C14C C15C C16C -3.8(14) . . . . ?
C20 C14 C15 C16 -1.4(13) . . . . ?
C21 N6 C25 C24 0.2(10) . . . . ?
C21 N6 C25 C26 -175.5(6) . . . . ?
C21 C22 C23 C24 -1.1(13) . . . . ?
C21C N6C C25C C24C -1.0(15) . . . . ?
C21C N6C C25C C26C -174.1(8) . . . . ?
C21C C22C C23C C24C 3(3) . . . . ?
C21B N6B C25B C24B -2.5(15) . . . . ?
C21B N6B C25B C26B -173.6(8) . . . . ?
C21B C22B C23B C24B 4(2) . . . . ?
C22B C23B C24B C25B -6(2) . . . . ?
C22C C23C C24C C25C 1(3) . . . . ?
C22 C23 C24 C25 0.7(13) . . . . ?
C23C C24C C25C N6C -2(2) . . . . ?
C23C C24C C25C C26C 170.2(14) . . . . ?
C23 C24 C25 N6 -0.3(12) . . . . ?
C23 C24 C25 C26 174.7(7) . . . . ?
C23B C24B C25B N6B 5.2(18) . . . . ?
C23B C24B C25B C26B 175.7(11) . . . . ?
C24B C25B C26B N7B -145.5(10) . . . . ?
C24B C25B C26B N8B 30.7(16) . . . . ?
C24 C25 C26 N7 -150.7(8) . . . . ?
C24 C25 C26 N8 25.3(12) . . . . ?
C24C C25C C26C N7C -147.8(11) . . . . ?
C24C C25C C26C N8C 29.1(16) . . . . ?
C25C N6C C21C C17C -174.1(8) . . . . ?
C25C N6C C21C C22C 5.5(17) . . . . ?
C25B N6B C21B C17B -176.1(8) . . . . ?
C25B N6B C21B C22B 0.4(14) . . . . ?
C25 N6 C21 C17 -172.1(6) . . . . ?
C25 N6 C21 C22 -0.5(10) . . . . ?
C26 N7 C27 C28 -174.0(8) . . . . ?
C26 N7 C27 C32 2.9(8) . . . . ?
C26 N8 C32 C27 -0.8(9) . . . . ?
C26 N8 C32 C31 -179.9(9) . . . . ?
C26C N7C C27C C28C -176.6(8) . . . . ?
C26C N7C C27C C32C 2.4(9) . . . . ?
C26C N8C C32C C27C 0.6(10) . . . . ?
C26C N8C C32C C31C -178.7(10) . . . . ?
C26B N7B C27B C28B -176.5(10) . . . . ?
C26B N7B C27B C32B 6.7(10) . . . . ?
C26B N8B C32B C27B 2.1(12) . . . . ?
C26B N8B C32B C31B 178.5(13) . . . . ?
C27 N7 C26 N8 -3.4(8) . . . . ?
C27 N7 C26 C25 173.2(7) . . . . ?
C27 C28 C29 C30 -1.3(12) . . . . ?
C27 C28 C29 C33 177.3(7) . . . . ?
C27C N7C C26C N8C -2.2(9) . . . . ?
C27C N7C C26C C25C 175.1(8) . . . . ?
C27C C28C C29C C30C -0.7(12) . . . . ?
C27C C28C C29C C33C 176.0(7) . . . . ?
C27B N7B C26B N8B -5.5(11) . . . . ?
C27B N7B C26B C25B 171.3(8) . . . . ?
C27B C28B C29B C30B 1.2(14) . . . . ?
C27B C28B C29B C33B 179.9(9) . . . . ?
C28B C27B C32B N8B 177.3(9) . . . . ?
C28B C27B C32B C31B 0.3(17) . . . . ?
C28B C29B C30B C31B 0.0(18) . . . . ?
C28B C29B C33B C34B 25.0(14) . . . . ?
C28C C27C C32C N8C 177.2(8) . . . . ?
C28C C27C C32C C31C -3.4(13) . . . . ?
C28C C29C C30C C31C -0.5(15) . . . . ?
C28C C29C C33C C34C 30.0(11) . . . . ?
C28 C27 C32 N8 175.8(7) . . . . ?
C28 C27 C32 C31 -4.9(12) . . . . ?
C28 C29 C30 C31 -2.6(14) . . . . ?
C28 C29 C33 C34 24.4(12) . . . . ?
C29 C30 C31 C32 2.7(15) . . . . ?
C29 C33 C34 C35 60.1(11) . . . . ?
C29 C33 C34 C40 -118.9(10) . . . . ?
C29B C30B C31B C32B -1(2) . . . . ?
C29B C33B C34B C35B 56.3(13) . . . . ?
C29B C33B C34B C40B -122.8(11) . . . . ?
C29C C30C C31C C32C -0.2(16) . . . . ?
C29C C33C C34C C35C 54.7(11) . . . . ?
C29C C33C C34C C40C -126.2(9) . . . . ?
C30 C29 C33 C34 -156.9(8) . . . . ?
C30 C31 C32 N8 -180.0(9) . . . . ?
C30 C31 C32 C27 0.9(13) . . . . ?
C30B C29B C33B C34B -156.4(10) . . . . ?
C30B C31B C32B N8B -175.0(14) . . . . ?
C30B C31B C32B C27B 1(2) . . . . ?
C30C C29C C33C C34C -153.2(8) . . . . ?
C30C C31C C32C N8C -178.7(10) . . . . ?
C30C C31C C32C C27C 2.0(15) . . . . ?
C32B N8B C26B N7B 2.3(12) . . . . ?
C32B N8B C26B C25B -174.0(10) . . . . ?
C32B C27B C28B C29B -1.4(14) . . . . ?
C32C N8C C26C N7C 1.1(10) . . . . ?
C32C N8C C26C C25C -176.0(9) . . . . ?
C32C C27C C28C C29C 2.7(12) . . . . ?
C32 N8 C26 N7 2.7(9) . . . . ?
C32 N8 C26 C25 -173.7(7) . . . . ?
C32 C27 C28 C29 5.0(12) . . . . ?
C33B C29B C30B C31B -178.6(12) . . . . ?
C33B C34B C35B C36B 178.1(8) . . . . ?
C33B C34B C40B C39B -177.9(11) . . . . ?
C33C C29C C30C C31C -177.2(10) . . . . ?
C33C C34C C35C C36C 176.4(8) . . . . ?
C33C C34C C40C C39C -178.7(9) . . . . ?
C33 C29 C30 C31 178.7(9) . . . . ?
C33 C34 C35 C36 176.9(8) . . . . ?
C33 C34 C40 C39 -178.2(10) . . . . ?
C34B C35B C36B N9B -177.6(8) . . . . ?
C34B C35B C36B C38B 2.3(12) . . . . ?
C34C C35C C36C N9C -174.3(8) . . . . ?
C34C C35C C36C C38C 2.5(12) . . . . ?
C34 C35 C36 N9 -177.6(8) . . . . ?
C34 C35 C36 C38 3.2(13) . . . . ?
C35 C34 C40 C39 2.9(17) . . . . ?
C35 C36 C38 N10 -179.4(8) . . . . ?
C35 C36 C38 C39 -0.9(14) . . . . ?
C35C C34C C40C C39C 0.5(14) . . . . ?
C35C C36C C38C N10C -179.7(8) . . . . ?
C35C C36C C38C C39C 0.2(14) . . . . ?
C35B C34B C40B C39B 2.9(16) . . . . ?
C35B C36B C38B N10B -179.7(8) . . . . ?
C35B C36B C38B C39B -2.0(14) . . . . ?
C36B N9B C37B N10B 0.4(9) . . . . ?
C36B N9B C37B C41B 176.5(7) . . . . ?
C36B C38B C39B C40B 2.0(17) . . . . ?
C36 N9 C37 N10 0.8(10) . . . . ?
C36 N9 C37 C41 -176.3(8) . . . . ?
C36 C38 C39 C40 -0.5(16) . . . . ?
C36C N9C C37C N10C 0.2(10) . . . . ?
C36C N9C C37C C41C -179.9(8) . . . . ?
C36C C38C C39C C40C -2.4(14) . . . . ?
C37B N9B C36B C35B 179.6(8) . . . . ?
C37B N9B C36B C38B -0.4(9) . . . . ?
C37B N10B C38B C36B 0.0(10) . . . . ?
C37B N10B C38B C39B -177.4(10) . . . . ?
C37B C41B C42B C43B -177.8(10) . . . . ?
C37C N9C C36C C35C 178.3(9) . . . . ?
C37C N9C C36C C38C 1.3(9) . . . . ?
C37C N10C C38C C36C 2.2(10) . . . . ?
C37C N10C C38C C39C -177.7(10) . . . . ?
C37C C41C C42C C43C -175.8(11) . . . . ?
C37 N9 C36 C35 179.5(9) . . . . ?
C37 N9 C36 C38 -1.2(9) . . . . ?
C37 N10 C38 C36 -0.7(10) . . . . ?
C37 N10 C38 C39 -179.1(11) . . . . ?
C37 C41 C42 C43 -173.2(10) . . . . ?
C38 N10 C37 N9 -0.1(10) . . . . ?
C38 N10 C37 C41 176.9(8) . . . . ?
C38 C39 C40 C34 -0.5(18) . . . . ?
C38C N10C C37C N9C -1.6(10) . . . . ?
C38C N10C C37C C41C 178.6(9) . . . . ?
C38C C39C C40C C34C 2.0(15) . . . . ?
C38B N10B C37B N9B -0.3(10) . . . . ?
C38B N10B C37B C41B -176.0(9) . . . . ?
C38B C39B C40B C34B -2.5(18) . . . . ?
C40 C34 C35 C36 -4.1(14) . . . . ?
C40C C34C C35C C36C -2.8(12) . . . . ?
C40B C34B C35B C36B -2.7(13) . . . . ?
C41B N11B C45B C44B 7.4(15) . . . . ?
C41B N11B C45B C46B -175.7(8) . . . . ?
C41B C42B C43B C44B 0.9(18) . . . . ?
C41 N11 C45 C44 -2.6(12) . . . . ?
C41 N11 C45 C46 -175.3(7) . . . . ?
C41 C42 C43 C44 -6.8(17) . . . . ?
C41C N11C C45C C44C -0.7(16) . . . . ?
C41C N11C C45C C46C -171.7(9) . . . . ?
C41C C42C C43C C44C -1(2) . . . . ?
C42C C43C C44C C45C 1(2) . . . . ?
C42B C43B C44B C45B -0.5(19) . . . . ?
C42 C43 C44 C45 4.0(15) . . . . ?
C43 C44 C45 N11 0.4(13) . . . . ?
C43 C44 C45 C46 172.4(9) . . . . ?
C43B C44B C45B N11B -3.7(17) . . . . ?
C43B C44B C45B C46B -179.9(11) . . . . ?
C43C C44C C45C N11C 0.0(19) . . . . ?
C43C C44C C45C C46C 170.0(12) . . . . ?
C44C C45C C46C Eu2 -157.9(11) . . . . ?
C44C C45C C46C O1C -137.2(11) . . . . ?
C44C C45C C46C N12C 42.0(16) . . . . ?
C44 C45 C46 Eu2 -161.2(8) . . . . ?
C44 C45 C46 O1 -135.0(9) . . . . ?
C44 C45 C46 N12 46.8(14) . . . . ?
C44B C45B C46B Eu2 169.9(11) . . . . ?
C44B C45B C46B O1B 148.8(10) . . . . ?
C44B C45B C46B N12B -35.0(16) . . . . ?
C45 N11 C41 C37 178.5(8) . . . . ?
C45 N11 C41 C42 0.3(13) . . . . ?
C45B N11B C41B C37B 173.7(8) . . . . ?
C45B N11B C41B C42B -6.9(13) . . . . ?
C45C N11C C41C C37C 177.1(8) . . . . ?
C45C N11C C41C C42C 0.6(16) . . . . ?
C46 N12 C47 C48 83.0(17) . . . . ?
C46 N12 C49 C50 95.3(15) . . . . ?
C46B N12B C47B C48B 81.9(13) . . . . ?
C46B N12B C49B C50B 110.1(19) . . . . ?
C46C N12C C47C C48C 79.2(12) . . . . ?
C46C N12C C49C C50C 106.9(13) . . . . ?
C47C N12C C46C Eu2 54.5(17) . . . . ?
C47C N12C C46C O1C 12.3(14) . . . . ?
C47C N12C C46C C45C -166.9(9) . . . . ?
C47C N12C C49C C50C -68.2(15) . . . . ?
C47B N12B C46B Eu2 -44.7(18) . . . . ?
C47B N12B C46B O1B -3.6(15) . . . . ?
C47B N12B C46B C45B -179.7(9) . . . . ?
C47B N12B C49B C50B -87.3(19) . . . . ?
C47 N12 C46 Eu2 51.6(17) . . . . ?
C47 N12 C46 O1 2.8(15) . . . . ?
C47 N12 C46 C45 -179.1(10) . . . . ?
C47 N12 C49 C50 -76.9(15) . . . . ?
C49 N12 C46 Eu2 -120.5(11) . . . . ?
C49 N12 C46 O1 -169.3(10) . . . . ?
C49 N12 C46 C45 8.8(16) . . . . ?
C49 N12 C47 C48 -104.1(18) . . . . ?
C49C N12C C46C Eu2 -120.7(14) . . . . ?
C49C N12C C46C O1C -162.9(11) . . . . ?
C49C N12C C46C C45C 17.9(16) . . . . ?
C49C N12C C47C C48C -105.3(12) . . . . ?
C49B N12B C46B Eu2 117.1(16) . . . . ?
C49B N12B C46B O1B 158.2(14) . . . . ?
C49B N12B C46B C45B -17.9(18) . . . . ?
C49B N12B C47B C48B -82.0(15) . . . . ?
C51 C2 C3 C4 174.6(11) . . . . ?
C51B C2B C3B C4B 176.6(10) . . . . ?
C51C C2C C3C C4C -179.2(12) . . . . ?
C52C N3C C6C N2C -177.9(9) . . . . ?
C52C N3C C6C C5C 2.1(16) . . . . ?
C52C N3C C12C C7C 177.1(9) . . . . ?
C52C N3C C12C C11C 3.7(16) . . . . ?
C52 N3 C6 N2 -171.9(12) . . . . ?
C52 N3 C6 C5 3.5(19) . . . . ?
C52 N3 C12 C7 172.2(11) . . . . ?
C52 N3 C12 C11 -5(2) . . . . ?
C52B N3B C6B N2B -179.5(8) . . . . ?
C52B N3B C6B C5B -2.2(15) . . . . ?
C52B N3B C12B C7B 177.7(8) . . . . ?
C52B N3B C12B C11B 1.7(14) . . . . ?
C53B N5B C17B N4B -173.0(10) . . . . ?
C53B N5B C17B C21B 10.3(16) . . . . ?
C53B N5B C18B C16B 174.3(9) . . . . ?
C53B N5B C18B C19B -6.1(17) . . . . ?
C53C N5C C17C N4C -178.1(12) . . . . ?
C53C N5C C17C C21C 12.6(18) . . . . ?
C53C N5C C18C C16C 178.5(12) . . . . ?
C53C N5C C18C C19C 3(2) . . . . ?
C53 N5 C17 N4 -174.0(8) . . . . ?
C53 N5 C17 C21 9.9(14) . . . . ?
C53 N5 C18 C16 175.9(8) . . . . ?
C53 N5 C18 C19 -5.9(16) . . . . ?
C54B N8B C26B N7B -175.2(11) . . . . ?
C54B N8B C26B C25B 8.6(18) . . . . ?
C54B N8B C32B C27B 179.7(11) . . . . ?
C54B N8B C32B C31B -4(2) . . . . ?
C54 N8 C26 N7 -173.1(8) . . . . ?
C54 N8 C26 C25 10.5(13) . . . . ?
C54 N8 C32 C27 175.2(8) . . . . ?
C54 N8 C32 C31 -4.0(15) . . . . ?
C54C N8C C26C N7C -171.4(10) . . . . ?
C54C N8C C26C C25C 11.5(16) . . . . ?
C54C N8C C32C C27C 173.7(9) . . . . ?
C54C N8C C32C C31C -5.6(16) . . . . ?
C55 N10 C37 N9 173.3(10) . . . . ?
C55 N10 C37 C41 -9.7(16) . . . . ?
C55 N10 C38 C36 -174.6(10) . . . . ?
C55 N10 C38 C39 7.0(18) . . . . ?
C55C N10C C37C N9C 175.6(10) . . . . ?
C55C N10C C37C C41C -4.3(16) . . . . ?
C55C N10C C38C C36C -175.2(9) . . . . ?
C55C N10C C38C C39C 4.9(16) . . . . ?
C55B N10B C37B N9B -173.7(9) . . . . ?
C55B N10B C37B C41B 10.6(15) . . . . ?
C55B N10B C38B C36B 173.4(10) . . . . ?
C55B N10B C38B C39B -4.1(18) . . . . ?
O23T S8 C8T F22T 74(5) . . . . ?
O23T S8 C8T F23T -42(3) . . . . ?
O23T S8 C8T F24T -163(3) . . . . ?
O24T S8 C8T F22T -171(4) . . . . ?
O24T S8 C8T F23T 73(3) . . . . ?
O24T S8 C8T F24T -49(3) . . . . ?
O26T S8 C8T F22T -54(5) . . . . ?
O26T S8 C8T F23T -170(2) . . . . ?
O26T S8 C8T F24T 69(3) . . . . ?
C7T F19T F21T F20T 40.9(18) . . . . ?
C7T F19T F21T S7 -42.4(17) . . . . ?
C7T F20T F21T F19T -43.1(18) . . . . ?
C7T F20T F21T S7 53.5(15) . . . . ?
C7T S7 O19T O20T -97(2) . . . . ?
C7T S7 O20T O19T 118.7(15) . . . . ?
F19T C7T F20T F21T 62(3) . . . . ?
F19T C7T F21T F20T -123(2) . . . . ?
F19T C7T F21T S7 128(2) . . . . ?
F19T C7T S7 F21T -61(3) . . . . ?
F19T C7T S7 O19T -106(3) . . . . ?
F19T C7T S7 O20T 177(3) . . . . ?
F19T C7T S7 O21T 23(4) . . . . ?
F20T C7T F19T F21T -65(3) . . . . ?
F20T C7T F21T F19T 123(2) . . . . ?
F20T C7T F21T S7 -109.5(19) . . . . ?
F20T C7T S7 F21T 73(3) . . . . ?
F20T C7T S7 O19T 29(3) . . . . ?
F20T C7T S7 O20T -49(3) . . . . ?
F20T C7T S7 O21T 158(2) . . . . ?
F21T C7T S7 O19T -44(3) . . . . ?
F21T C7T S7 O20T -122(3) . . . . ?
F21T C7T S7 O21T 85(3) . . . . ?
F21T S7 O19T O20T -125(2) . . . . ?
F21T S7 O20T O19T 76.5(19) . . . . ?
S7 C7T F19T F21T 66(3) . . . . ?
S7 C7T F20T F21T -76(3) . . . . ?
S7 C7T F21T F19T -128(2) . . . . ?
S7 C7T F21T F20T 109.5(19) . . . . ?
O21T S7 O19T O20T 131(2) . . . . ?
O21T S7 O20T O19T -96(3) . . . . ?
O13T S5 C5T F13T 64.1(14) . . . . ?
O13T S5 C5T F14T -62.5(18) . . . . ?
O13T S5 C5T F15T 160.0(15) . . . . ?
O14T S5 C5T F13T -92.9(18) . . . . ?
O14T S5 C5T F14T 140(2) . . . . ?
O14T S5 C5T F15T 3(2) . . . . ?
O15T S5 C5T F13T 176.3(17) . . . . ?
O15T S5 C5T F14T 50(2) . . . . ?
O15T S5 C5T F15T -88(2) . . . . ?
F1TA C1TA S1A O1TA 69(2) . . . . ?
F1TA C1TA S1A O2TA 178(2) . . . . ?
F1TA C1TA S1A O3TA -79(2) . . . . ?
F2TA C1TA S1A O1TA -55(3) . . . . ?
F2TA C1TA S1A O2TA 54(2) . . . . ?
F2TA C1TA S1A O3TA 157(2) . . . . ?
F3TA C1TA S1A O1TA -172(2) . . . . ?
F3TA C1TA S1A O2TA -63(2) . . . . ?
F3TA C1TA S1A O3TA 40(3) . . . . ?
F1TB C1TB S1B O1TB 67.3(13) . . . . ?
F1TB C1TB S1B O2TB 179.8(11) . . . . ?
F1TB C1TB S1B O3TB -63.0(13) . . . . ?
F2TB C1TB S1B O1TB -45.8(16) . . . . ?
F2TB C1TB S1B O2TB 66.7(15) . . . . ?
F2TB C1TB S1B O3TB -176.1(13) . . . . ?
F3TB C1TB S1B O1TB -176.0(14) . . . . ?
F3TB C1TB S1B O2TB -63.5(16) . . . . ?
F3TB C1TB S1B O3TB 53.7(17) . . . . ?
F4T C2T S2 O4T -61(2) . . . . ?
F4T C2T S2 O5T 50(2) . . . . ?
F4T C2T S2 O6T -176(2) . . . . ?
F5T C2T S2 O4T 66(2) . . . . ?
F5T C2T S2 O5T 176(2) . . . . ?
F5T C2T S2 O6T -50(2) . . . . ?
F6T C2T S2 O4T 169.7(18) . . . . ?
F6T C2T S2 O5T -79.8(19) . . . . ?
F6T C2T S2 O6T 54(2) . . . . ?
F3 C1A S9 O7 -73(2) . . . . ?
F3 C1A S9 O8 40(2) . . . . ?
F3 C1A S9 O9 164(2) . . . . ?
F4 C1A S9 O7 172.2(19) . . . . ?
F4 C1A S9 O8 -74(2) . . . . ?
F4 C1A S9 O9 49(2) . . . . ?
F5 C1A S9 O7 58.4(19) . . . . ?
F5 C1A S9 O8 171.9(18) . . . . ?
F5 C1A S9 O9 -65(2) . . . . ?
O7T S3 C3T F7T 47(2) . . . . ?
O7T S3 C3T F8T 176(2) . . . . ?
O7T S3 C3T F9T -66(2) . . . . ?
O8T S3 C3T F7T 172.7(18) . . . . ?
O8T S3 C3T F8T -59(2) . . . . ?
O8T S3 C3T F9T 60(2) . . . . ?
O9T S3 C3T F7T -70(2) . . . . ?
O9T S3 C3T F8T 59(2) . . . . ?
O9T S3 C3T F9T 177.1(17) . . . . ?
F16T C6T S6 O16T -59.9(17) . . . . ?
F16T C6T S6 O17T -173.4(16) . . . . ?
F16T C6T S6 O18T 60.1(17) . . . . ?
F17T C6T S6 O16T 56(2) . . . . ?
F17T C6T S6 O17T -57(2) . . . . ?
F17T C6T S6 O18T 176.2(18) . . . . ?
F18T C6T S6 O16T -173.6(16) . . . . ?
F18T C6T S6 O17T 72.8(19) . . . . ?
F18T C6T S6 O18T -53.6(19) . . . . ?
F10T C4T S4 O10T 60.6(17) . . . . ?
F10T C4T S4 O11T -63.0(16) . . . . ?
F10T C4T S4 O12T 174.2(13) . . . . ?
F11T C4T S4 O10T -57.3(19) . . . . ?
F11T C4T S4 O11T 179.0(16) . . . . ?
F11T C4T S4 O12T 56.3(18) . . . . ?
F12T C4T S4 O10T -177.2(16) . . . . ?
F12T C4T S4 O11T 59.2(17) . . . . ?
F12T C4T S4 O12T -63.6(17) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0002 0.0003 0.9995 -0.0311 -0.0066 -0.0059
0.0002 -0.0003 -0.9995 0.0311 0.0066 0.0059
0.9997 -1.9999 -0.9993 -0.0085 0.1673 0.0743
0.9954 5.0016 2.0129 0.0123 -0.2571 -0.5191
1.9976 -0.9993 -0.9933 0.0008 0.1546 -0.1041
-1.9976 0.9993 0.9933 -0.0008 -0.1546 0.1041
-4.9911 -2.0029 -0.0244 0.0024 -0.1100 0.6450
-2.9982 4.9991 0.9970 0.0714 -0.4310 -0.1288
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.689 -0.028 -0.875 3882.7 1007.0 '2 CF3SO3,24 C3H8O'
2 0.373 0.790 0.812 17.0 0.0 ?
3 0.383 0.720 0.623 14.9 0.0 ?
4 0.617 0.280 0.377 14.9 0.0 ?
5 0.627 0.210 0.188 17.0 0.0 ?
