#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:15:18 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193823 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041677.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_7041677
loop_
_publ_author_name
'Zhao, Xiao-Qing'
'Wang, Jin'
'Bao, Dong-Xu'
'Xiang, Shuo'
'Liu, Ya-Jun'
'Li, Yun-Chun'
_publ_section_title
;
 The ferromagnetic [Ln2Co6] heterometallic complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2196
_journal_page_last               2203
_journal_paper_doi               10.1039/c6dt04375e
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C74 H100 Cl6 Co6 Dy2 N8 O26, 0.5(C Cl2)'
_chemical_formula_sum            'C74.5 H101 Cl7 Co6 Dy2 N8 O26'
_chemical_formula_weight         2451.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2016-12-13
_audit_creation_method
;
Olex2 1.2
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_audit_update_record
;
2016-12-13 deposited with the CCDC.
2017-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                112.142(2)
_cell_angle_beta                 100.552(2)
_cell_angle_gamma                111.525(2)
_cell_formula_units_Z            1
_cell_length_a                   14.1416(3)
_cell_length_b                   14.4081(4)
_cell_length_c                   15.5303(4)
_cell_measurement_reflns_used    10549
_cell_measurement_temperature    121.1(2)
_cell_measurement_theta_max      28.3600
_cell_measurement_theta_min      3.1040
_cell_volume                     2529.78(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      121.1(2)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.9986
_diffrn_measured_fraction_theta_max 0.6336
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -24.00   90.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   19.0000 -150.0000 114

#__ type_ start__ end____ width___ exp.time_
  2 omega  -19.00    7.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497  -99.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega   70.00   95.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497 -178.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
  4 omega   16.00   60.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497  -99.0000  150.0000 44

#__ type_ start__ end____ width___ exp.time_
  5 omega   -8.00   37.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   77.0000   30.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega  -10.00   88.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   77.0000  -90.0000 98

#__ type_ start__ end____ width___ exp.time_
  7 omega  -70.00  -43.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5841 -178.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
  8 omega  -63.00  -36.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5841 -178.0000 -150.0000 27

#__ type_ start__ end____ width___ exp.time_
  9 omega  -19.00   53.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.5841   37.0000   60.0000 72
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0574536000
_diffrn_orient_matrix_UB_12      0.0234595000
_diffrn_orient_matrix_UB_13      0.0125816000
_diffrn_orient_matrix_UB_21      -0.0051705000
_diffrn_orient_matrix_UB_22      0.0096180000
_diffrn_orient_matrix_UB_23      -0.0417661000
_diffrn_orient_matrix_UB_31      0.0070224000
_diffrn_orient_matrix_UB_32      0.0549712000
_diffrn_orient_matrix_UB_33      0.0303575000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21013
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.897
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.669
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_description       block
_exptl_crystal_F_000             1225
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.386
_refine_diff_density_min         -1.419
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         8902
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0331P)²+9.8253P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0874
_refine_ls_wR_factor_ref         0.0920
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7944
_reflns_number_total             8902
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04375e2.cif
_cod_data_source_block           p150407y
_cod_depositor_comments
'Adding full bibliography for 7041675--7041678.cif.'
_cod_original_cell_volume        2529.79(12)
_cod_original_formula_sum        'C74.50 H101 Cl7 Co6 Dy2 N8 O26'
_cod_database_code               7041677
_chemical_oxdiff_formula         C1H1O1N1CO1DY1
_chemical_oxdiff_usercomment     375
_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   0.856
_shelx_estimated_absorpt_t_min   0.740
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C38-Cl5
 1.75 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C38) \\sim Ueq, Uanis(Cl4) \\sim Ueq, Uanis(Cl5) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C23) = Uanis(C23A)
Uanis(C24) = Uanis(C24A)
Uanis(C25) = Uanis(C25A)
4. Others
 Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(1)
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=
 Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
 Fixed Sof: Cl4(0.25) C38(0.25) Cl5(0.25)
5.a Riding coordinates:
 O1(H1), O2(H2A)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13), C14(H14)
5.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C28(H28A,H28B,H28C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C37(H37A,H37B,H37C), C23A(H23D,H23E,H23F), C24A(H24D,H24E,
 H24F), C25A(H25D,H25E,H25F)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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
Dy1 Dy 0.43678(2) 0.37926(2) 0.53318(2) 0.01949(7) Uani 1 1 d . . . . .
Co1 Co 0.44366(5) 0.51327(5) 0.77277(5) 0.02238(14) Uani 1 1 d . . . . .
Co2 Co 0.44429(5) 0.67610(5) 0.68597(4) 0.02106(14) Uani 1 1 d . . . . .
Co3 Co 0.68519(5) 0.66504(5) 0.71136(5) 0.02736(16) Uani 1 1 d . . . . .
Cl1 Cl 0.93719(13) 0.72887(15) 0.88922(13) 0.0617(5) Uani 1 1 d . . . . .
Cl2 Cl 0.91873(15) 0.97406(16) 0.89133(16) 0.0725(5) Uani 1 1 d . . . . .
Cl3 Cl 0.48373(14) 0.97819(13) 0.85618(12) 0.0530(4) Uani 1 1 d . . . . .
C1 C 0.8254(5) 0.5962(5) 0.8435(4) 0.0374(13) Uani 1 1 d . . . . .
C2 C 0.8372(5) 0.5209(5) 0.8729(4) 0.0382(13) Uani 1 1 d . . . . .
H2 H 0.9048 0.5378 0.9136 0.046 Uiso 1 1 calc R . . . .
C3 C 0.7440(5) 0.4189(5) 0.8391(4) 0.0390(13) Uani 1 1 d . . . . .
H3 H 0.7488 0.3649 0.8560 0.047 Uiso 1 1 calc R . . . .
C4 C 0.6446(5) 0.3967(5) 0.7808(4) 0.0347(12) Uani 1 1 d . . . . .
H4 H 0.5818 0.3284 0.7580 0.042 Uiso 1 1 calc R . . . .
C5 C 0.6403(4) 0.4799(4) 0.7565(3) 0.0259(10) Uani 1 1 d . . . . .
C6 C 0.8075(5) 0.9169(6) 0.9243(5) 0.0539(17) Uani 1 1 d . . . . .
C7 C 0.8021(6) 0.9799(6) 1.0142(5) 0.065(2) Uani 1 1 d . . . . .
H7 H 0.8582 1.0531 1.0606 0.078 Uiso 1 1 calc R . . . .
C8 C 0.7113(6) 0.9299(7) 1.0315(5) 0.0623(19) Uani 1 1 d . . . . .
H8 H 0.7076 0.9678 1.0932 0.075 Uiso 1 1 calc R . . . .
C9 C 0.6282(6) 0.8298(5) 0.9640(5) 0.0550(17) Uani 1 1 d . . . . .
H9 H 0.5650 0.7979 0.9757 0.066 Uiso 1 1 calc R . . . .
C10 C 0.6389(4) 0.7722(4) 0.8721(4) 0.0300(11) Uani 1 1 d . . . . .
C11 C 0.5634(5) 0.9601(4) 0.7849(4) 0.0380(13) Uani 1 1 d . . . . .
C12 C 0.6374(6) 1.0512(5) 0.7827(5) 0.0568(18) Uani 1 1 d . . . . .
H12 H 0.6452 1.1238 0.8176 0.068 Uiso 1 1 calc R . . . .
C13 C 0.7004(6) 1.0317(5) 0.7264(6) 0.0598(19) Uani 1 1 d . . . . .
H13 H 0.7507 1.0921 0.7226 0.072 Uiso 1 1 calc R . . . .
C14 C 0.6897(5) 0.9237(4) 0.6756(4) 0.0392(13) Uani 1 1 d . . . . .
H14 H 0.7326 0.9103 0.6387 0.047 Uiso 1 1 calc R . . . .
C15 C 0.6116(4) 0.8362(4) 0.6824(3) 0.0257(10) Uani 1 1 d . . . . .
C16 C 0.2554(7) 0.1402(5) 0.6504(5) 0.060(2) Uani 1 1 d . . . . .
C17 C 0.3244(5) 0.2558(4) 0.6576(4) 0.0349(12) Uani 1 1 d . . . . .
C18 C 0.3306(9) 0.1248(7) 0.7184(7) 0.117(5) Uani 1 1 d . . . . .
H18A H 0.3931 0.1314 0.7001 0.175 Uiso 1 1 calc GR . . . .
H18B H 0.2927 0.0508 0.7123 0.175 Uiso 1 1 calc GR . . . .
H18C H 0.3544 0.1825 0.7863 0.175 Uiso 1 1 calc GR . . . .
C19 C 0.2072(6) 0.0442(5) 0.5460(5) 0.0563(18) Uani 1 1 d . . . . .
H19A H 0.1631 0.0580 0.5026 0.084 Uiso 1 1 calc GR . . . .
H19B H 0.1626 -0.0258 0.5441 0.084 Uiso 1 1 calc GR . . . .
H19C H 0.2650 0.0386 0.5240 0.084 Uiso 1 1 calc GR . . . .
C20 C 0.1545(8) 0.1406(6) 0.6797(7) 0.085(3) Uani 1 1 d . . . . .
H20A H 0.1799 0.1930 0.7498 0.128 Uiso 1 1 calc GR . . . .
H20B H 0.1056 0.0653 0.6660 0.128 Uiso 1 1 calc GR . . . .
H20C H 0.1166 0.1639 0.6413 0.128 Uiso 1 1 calc GR . . . .
C21 C 0.2165(4) 0.6458(5) 0.8415(4) 0.0345(12) Uani 1 1 d . . . . .
C22 C 0.3081(4) 0.6317(4) 0.8063(3) 0.0253(10) Uani 1 1 d . . . . .
C23 C 0.2344(10) 0.7682(10) 0.8719(10) 0.058(3) Uani 0.660(9) 1 d . . P A 1
H23A H 0.3013 0.8222 0.9292 0.088 Uiso 0.660(9) 1 calc GR . P A 1
H23B H 0.1742 0.7750 0.8883 0.088 Uiso 0.660(9) 1 calc GR . P A 1
H23C H 0.2388 0.7832 0.8172 0.088 Uiso 0.660(9) 1 calc GR . P A 1
C24 C 0.1087(8) 0.5625(11) 0.7516(10) 0.073(4) Uani 0.660(9) 1 d . . P A 1
H24A H 0.1125 0.5786 0.6974 0.109 Uiso 0.660(9) 1 calc GR . P A 1
H24B H 0.0498 0.5707 0.7699 0.109 Uiso 0.660(9) 1 calc GR . P A 1
H24C H 0.0960 0.4859 0.7311 0.109 Uiso 0.660(9) 1 calc GR . P A 1
C25 C 0.2164(12) 0.6298(14) 0.9333(10) 0.073(4) Uani 0.660(9) 1 d . . P A 1
H25A H 0.1903 0.5506 0.9140 0.110 Uiso 0.660(9) 1 calc GR . P A 1
H25B H 0.1693 0.6548 0.9608 0.110 Uiso 0.660(9) 1 calc GR . P A 1
H25C H 0.2895 0.6739 0.9827 0.110 Uiso 0.660(9) 1 calc GR . P A 1
C26 C 0.9401(4) 0.7351(5) 0.5935(4) 0.0350(12) Uani 1 1 d . . . . .
C27 C 0.8326(4) 0.7230(4) 0.6085(4) 0.0287(11) Uani 1 1 d . . . . .
C28 C 0.9373(5) 0.6201(5) 0.5673(6) 0.0561(18) Uani 1 1 d . . . . .
H28A H 0.9342 0.6048 0.6221 0.084 Uiso 1 1 calc GR . . . .
H28B H 1.0022 0.6227 0.5551 0.084 Uiso 1 1 calc GR . . . .
H28C H 0.8739 0.5607 0.5083 0.084 Uiso 1 1 calc GR . . . .
C29 C 1.0361(5) 0.8283(5) 0.6907(5) 0.0510(16) Uani 1 1 d . . . . .
H29A H 1.0372 0.9000 0.7071 0.077 Uiso 1 1 calc GR . . . .
H29B H 1.1032 0.8331 0.6827 0.077 Uiso 1 1 calc GR . . . .
H29C H 1.0286 0.8105 0.7435 0.077 Uiso 1 1 calc GR . . . .
C30 C 0.9493(5) 0.7622(6) 0.5091(5) 0.0515(16) Uani 1 1 d . . . . .
H30A H 0.8855 0.7057 0.4494 0.077 Uiso 1 1 calc GR . . . .
H30B H 1.0134 0.7621 0.4969 0.077 Uiso 1 1 calc GR . . . .
H30C H 0.9549 0.8361 0.5274 0.077 Uiso 1 1 calc GR . . . .
C31 C 0.3037(4) 0.7555(4) 0.4891(4) 0.0307(11) Uani 1 1 d . . . . .
C32 C 0.3715(4) 0.6964(4) 0.5041(3) 0.0232(10) Uani 1 1 d . . . . .
C33 C 0.3630(6) 0.8459(6) 0.4616(6) 0.063(2) Uani 1 1 d . . . . .
H33A H 0.4315 0.9038 0.5158 0.094 Uiso 1 1 calc GR . . . .
H33B H 0.3184 0.8797 0.4494 0.094 Uiso 1 1 calc GR . . . .
H33C H 0.3764 0.8110 0.4023 0.094 Uiso 1 1 calc GR . . . .
C34 C 0.1942(5) 0.6617(6) 0.4026(5) 0.0573(18) Uani 1 1 d . . . . .
H34A H 0.2080 0.6223 0.3451 0.086 Uiso 1 1 calc GR . . . .
H34B H 0.1515 0.6956 0.3862 0.086 Uiso 1 1 calc GR . . . .
H34C H 0.1547 0.6086 0.4226 0.086 Uiso 1 1 calc GR . . . .
C35 C 0.2809(5) 0.8071(6) 0.5832(4) 0.0468(15) Uani 1 1 d . . . . .
H35A H 0.2487 0.7496 0.6015 0.070 Uiso 1 1 calc GR . . . .
H35B H 0.2313 0.8356 0.5704 0.070 Uiso 1 1 calc GR . . . .
H35C H 0.3483 0.8686 0.6369 0.070 Uiso 1 1 calc GR . . . .
C36 C 0.6062(5) 0.5624(5) 0.9760(4) 0.0366(13) Uani 1 1 d . . . . .
C37 C 0.6922(5) 0.5785(6) 1.0586(5) 0.0548(18) Uani 1 1 d . . . . .
H37A H 0.6799 0.5055 1.0517 0.082 Uiso 1 1 calc GR . . . .
H37B H 0.6900 0.6234 1.1215 0.082 Uiso 1 1 calc GR . . . .
H37C H 0.7626 0.6172 1.0565 0.082 Uiso 1 1 calc GR . . . .
N1 N 0.7311(3) 0.5774(4) 0.7847(3) 0.0291(9) Uani 1 1 d . . . . .
N2 N 0.7275(3) 0.8081(4) 0.8506(3) 0.0329(10) Uani 1 1 d . . . . .
N3 N 0.5472(3) 0.8537(3) 0.7344(3) 0.0271(9) Uani 1 1 d . . . . .
N4 N 0.5382(4) 0.5482(4) 0.9136(3) 0.0318(10) Uani 1 1 d . . . . .
O1 O 0.3850(3) 0.5021(2) 0.6345(2) 0.0214(7) Uani 1 1 d . . . . .
H1 H 0.3153 0.4668 0.6036 0.026 Uiso 1 1 d R . . . .
O2 O 0.5999(3) 0.5345(2) 0.5657(2) 0.0213(7) Uani 1 1 d . . . . .
H2A H 0.6378 0.5026 0.5436 0.026 Uiso 1 1 d R . . . .
O3 O 0.5482(3) 0.4685(3) 0.7065(2) 0.0298(8) Uani 1 1 d . . . . .
O4 O 0.5570(3) 0.6779(3) 0.7977(3) 0.0362(9) Uani 1 1 d . . . . .
O5 O 0.5912(3) 0.7290(3) 0.6384(2) 0.0225(7) Uani 1 1 d . . . . .
O6 O 0.3602(3) 0.2534(3) 0.5892(3) 0.0317(8) Uani 1 1 d . . . . .
O7 O 0.3435(3) 0.3459(3) 0.7332(3) 0.0336(8) Uani 1 1 d . . . . .
O8 O 0.3447(3) 0.5723(3) 0.8286(2) 0.0277(7) Uani 1 1 d . . . . .
O9 O 0.3379(3) 0.6786(3) 0.7553(2) 0.0286(8) Uani 1 1 d . . . . .
O10 O 0.8247(3) 0.7226(3) 0.6881(3) 0.0363(9) Uani 1 1 d . . . . .
O11 O 0.7569(3) 0.7093(3) 0.5397(3) 0.0289(8) Uani 1 1 d . . . . .
O12 O 0.3477(3) 0.6411(3) 0.5513(2) 0.0238(7) Uani 1 1 d . . . . .
O13 O 0.4439(3) 0.7021(3) 0.4674(2) 0.0273(7) Uani 1 1 d . . . . .
C23A C 0.180(2) 0.711(2) 0.803(2) 0.058(3) Uani 0.340(9) 1 d . . P A 2
H23D H 0.2424 0.7819 0.8220 0.088 Uiso 0.340(9) 1 calc GR . P A 2
H23E H 0.1283 0.7254 0.8295 0.088 Uiso 0.340(9) 1 calc GR . P A 2
H23F H 0.1467 0.6674 0.7308 0.088 Uiso 0.340(9) 1 calc GR . P A 2
C24A C 0.1253(17) 0.527(2) 0.801(2) 0.073(4) Uani 0.340(9) 1 d . . P A 2
H24D H 0.1069 0.4834 0.7306 0.109 Uiso 0.340(9) 1 calc GR . P A 2
H24E H 0.0622 0.5301 0.8132 0.109 Uiso 0.340(9) 1 calc GR . P A 2
H24F H 0.1489 0.4902 0.8346 0.109 Uiso 0.340(9) 1 calc GR . P A 2
C25A C 0.266(2) 0.707(3) 0.952(2) 0.073(4) Uani 0.340(9) 1 d . . P A 2
H25D H 0.2960 0.6664 0.9739 0.110 Uiso 0.340(9) 1 calc GR . P A 2
H25E H 0.2112 0.7122 0.9786 0.110 Uiso 0.340(9) 1 calc GR . P A 2
H25F H 0.3235 0.7824 0.9744 0.110 Uiso 0.340(9) 1 calc GR . P A 2
Cl4 Cl 0.9477(8) 0.3205(9) 0.8656(8) 0.108(4) Uani 0.25 1 d . U P . .
C38 C 0.991(3) 0.225(3) 0.8578(19) 0.073(9) Uani 0.25 1 d D U P . .
Cl5 Cl 0.9733(16) 0.147(2) 0.7379(19) 0.240(10) Uani 0.25 1 d D U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Co1 Dy1 Dy1 105.820(13) . 2_666
O1 Dy1 Dy1 83.85(7) . 2_666
O1 Dy1 Co1 35.94(7) . .
O1 Dy1 O2 90.98(11) . .
O1 Dy1 O2 79.04(10) . 2_666
O1 Dy1 O3 68.65(11) . .
O1 Dy1 O5 141.68(10) . 2_666
O1 Dy1 O11 73.66(11) . 2_666
O1 Dy1 O13 144.64(11) . 2_666
O2 Dy1 Dy1 35.48(7) . 2_666
O2 Dy1 Dy1 34.50(7) 2_666 2_666
O2 Dy1 Co1 92.67(8) . .
O2 Dy1 Co1 113.32(7) 2_666 .
O2 Dy1 O2 69.99(12) . 2_666
O2 Dy1 O3 72.48(11) . .
O2 Dy1 O5 94.07(10) . 2_666
O2 Dy1 O11 143.69(11) . 2_666
O2 Dy1 O13 80.20(11) . 2_666
O3 Dy1 Dy1 102.08(9) . 2_666
O3 Dy1 Co1 36.87(8) . .
O3 Dy1 O2 129.24(11) . 2_666
O5 Dy1 Dy1 78.71(7) 2_666 2_666
O5 Dy1 Co1 172.95(8) 2_666 .
O5 Dy1 O2 67.28(10) 2_666 2_666
O5 Dy1 O3 148.39(11) 2_666 .
O6 Dy1 Dy1 172.66(9) . 2_666
O6 Dy1 Co1 67.09(9) . .
O6 Dy1 O1 89.03(11) . .
O6 Dy1 O2 145.28(12) . 2_666
O6 Dy1 O2 143.41(12) . .
O6 Dy1 O3 73.52(13) . .
O6 Dy1 O5 108.17(11) . 2_666
O6 Dy1 O11 70.55(12) . 2_666
O6 Dy1 O13 78.88(12) . 2_666
O11 Dy1 Dy1 108.90(8) 2_666 2_666
O11 Dy1 Co1 93.19(8) 2_666 .
O11 Dy1 O2 74.81(11) 2_666 2_666
O11 Dy1 O3 127.46(12) 2_666 .
O11 Dy1 O5 80.13(11) 2_666 2_666
O11 Dy1 O13 130.47(12) 2_666 2_666
O13 Dy1 Dy1 106.03(8) 2_666 2_666
O13 Dy1 Co1 109.81(8) 2_666 .
O13 Dy1 O2 127.81(11) 2_666 2_666
O13 Dy1 O3 76.05(11) 2_666 .
O13 Dy1 O5 73.48(11) 2_666 2_666
N4 Co1 Dy1 133.84(12) . .
N4 Co1 O4 90.52(15) . .
O1 Co1 Dy1 41.13(8) . .
O1 Co1 N4 166.81(15) . .
O1 Co1 O3 79.20(12) . .
O1 Co1 O4 78.30(13) . .
O3 Co1 Dy1 43.14(9) . .
O3 Co1 N4 92.18(15) . .
O3 Co1 O4 80.53(15) . .
O4 Co1 Dy1 91.92(11) . .
O7 Co1 Dy1 80.38(10) . .
O7 Co1 N4 92.45(16) . .
O7 Co1 O1 97.69(13) . .
O7 Co1 O3 91.54(14) . .
O7 Co1 O4 171.64(15) . .
O8 Co1 Dy1 132.88(10) . .
O8 Co1 N4 92.96(15) . .
O8 Co1 O1 94.57(13) . .
O8 Co1 O3 171.72(13) . .
O8 Co1 O4 92.93(14) . .
O8 Co1 O7 94.72(14) . .
N3 Co2 O5 60.08(13) . .
O1 Co2 N3 163.50(14) . .
O1 Co2 O4 79.11(13) . .
O1 Co2 O5 104.48(12) . .
O4 Co2 N3 92.25(14) . .
O4 Co2 O5 82.34(13) . .
O9 Co2 N3 103.68(15) . .
O9 Co2 O1 91.22(13) . .
O9 Co2 O4 95.48(14) . .
O9 Co2 O5 163.34(13) . .
O9 Co2 O12 97.74(13) . .
O12 Co2 N3 95.16(14) . .
O12 Co2 O1 89.73(12) . .
O12 Co2 O4 162.87(14) . .
O12 Co2 O5 88.01(12) . .
N1 Co3 O5 163.40(14) . .
N2 Co3 N1 92.48(16) . .
N2 Co3 O5 87.18(14) . .
O2 Co3 N1 100.88(14) . .
O2 Co3 N2 161.01(15) . .
O2 Co3 O5 76.16(11) . .
O10 Co3 N1 94.75(16) . .
O10 Co3 N2 99.49(16) . .
O10 Co3 O2 92.85(14) . .
O10 Co3 O5 101.68(14) . .
C2 C1 Cl1 119.3(4) . .
N1 C1 Cl1 115.9(4) . .
N1 C1 C2 124.8(5) . .
C1 C2 H2 121.5 . .
C1 C2 C3 117.0(5) . .
C3 C2 H2 121.5 . .
C2 C3 H3 119.7 . .
C4 C3 C2 120.6(5) . .
C4 C3 H3 119.7 . .
C3 C4 H4 120.9 . .
C3 C4 C5 118.3(5) . .
C5 C4 H4 120.9 . .
N1 C5 C4 122.0(5) . .
O3 C5 C4 122.1(5) . .
O3 C5 N1 115.9(4) . .
C7 C6 Cl2 121.2(5) . .
C7 C6 N2 125.4(6) . .
N2 C6 Cl2 113.3(5) . .
C6 C7 H7 121.6 . .
C8 C7 C6 116.9(6) . .
C8 C7 H7 121.6 . .
C7 C8 H8 118.9 . .
C9 C8 C7 122.2(7) . .
C9 C8 H8 118.9 . .
C8 C9 H9 121.4 . .
C8 C9 C10 117.2(7) . .
C10 C9 H9 121.4 . .
N2 C10 C9 125.7(5) . .
O4 C10 C9 121.2(5) . .
O4 C10 N2 113.0(5) . .
C12 C11 Cl3 120.3(4) . .
N3 C11 Cl3 116.1(4) . .
N3 C11 C12 123.6(5) . .
C11 C12 H12 121.2 . .
C11 C12 C13 117.6(5) . .
C13 C12 H12 121.2 . .
C12 C13 H13 119.5 . .
C12 C13 C14 121.1(6) . .
C14 C13 H13 119.5 . .
C13 C14 H14 121.5 . .
C13 C14 C15 116.9(6) . .
C15 C14 H14 121.5 . .
N3 C15 C14 122.4(4) . .
O5 C15 C14 124.3(5) . .
O5 C15 N3 113.3(4) . .
C17 C16 C20 109.3(5) . .
C18 C16 C17 106.3(6) . .
C18 C16 C20 113.4(7) . .
C19 C16 C17 112.0(5) . .
C19 C16 C18 110.6(6) . .
C19 C16 C20 105.4(7) . .
O6 C17 C16 116.8(5) . .
O6 C17 O7 125.1(5) . .
O7 C17 C16 118.1(5) . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C16 C20 H20A 109.5 . .
C16 C20 H20B 109.5 . .
C16 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C23 109.4(5) . .
C24 C21 C22 107.0(6) . .
C24 C21 C23 107.9(8) . .
C24 C21 C25 113.2(9) . .
C25 C21 C22 112.5(5) . .
C25 C21 C23 106.8(8) . .
C23A C21 C22 109.7(9) . .
C23A C21 C24A 111.8(15) . .
C23A C21 C25A 111.9(14) . .
C24A C21 C22 106.0(10) . .
C25A C21 C22 105.2(10) . .
C25A C21 C24A 111.9(15) . .
O8 C22 C21 118.0(4) . .
O9 C22 C21 116.3(4) . .
O9 C22 O8 125.6(4) . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C25 H25A 109.5 . .
C21 C25 H25B 109.5 . .
C21 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C28 C26 C27 106.4(4) . .
C29 C26 C27 109.2(5) . .
C29 C26 C28 109.7(5) . .
C30 C26 C27 111.0(5) . .
C30 C26 C28 109.9(5) . .
C30 C26 C29 110.4(5) . .
O10 C27 C26 116.9(5) . .
O11 C27 C26 118.7(5) . .
O11 C27 O10 124.4(5) . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C26 C30 H30A 109.5 . .
C26 C30 H30B 109.5 . .
C26 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C33 C31 C32 110.2(4) . .
C33 C31 C34 110.0(5) . .
C34 C31 C32 106.4(4) . .
C35 C31 C32 110.1(4) . .
C35 C31 C33 111.4(5) . .
C35 C31 C34 108.7(5) . .
O12 C32 C31 117.1(4) . .
O13 C32 C31 119.2(4) . .
O13 C32 O12 123.7(4) . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C31 C35 H35A 109.5 . .
C31 C35 H35B 109.5 . .
C31 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N4 C36 C37 177.9(6) . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37B 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C1 N1 Co3 134.8(4) . .
C1 N1 C5 117.3(4) . .
C5 N1 Co3 107.8(3) . .
C6 N2 Co3 145.8(4) . .
C10 N2 Co3 102.0(3) . .
C10 N2 C6 112.1(5) . .
C11 N3 Co2 145.7(4) . .
C11 N3 C15 118.3(4) . .
C15 N3 Co2 95.8(3) . .
C36 N4 Co1 161.9(4) . .
Dy1 O1 H1 101.9 . .
Co1 O1 Dy1 102.93(12) . .
Co1 O1 Co2 96.99(13) . .
Co1 O1 H1 117.3 . .
Co2 O1 Dy1 129.13(15) . .
Co2 O1 H1 109.5 . .
Dy1 O2 Dy1 110.01(12) . 2_666
Dy1 O2 H2A 103.0 . .
Dy1 O2 H2A 107.9 2_666 .
Co3 O2 Dy1 117.30(14) . .
Co3 O2 Dy1 106.06(12) . 2_666
Co3 O2 H2A 112.2 . .
Co1 O3 Dy1 99.99(13) . .
C5 O3 Dy1 135.7(3) . .
C5 O3 Co1 123.9(3) . .
Co2 O4 Co1 93.67(13) . .
C10 O4 Co1 137.5(3) . .
C10 O4 Co2 122.4(3) . .
Co2 O5 Dy1 117.67(13) . 2_666
Co3 O5 Dy1 100.86(12) . 2_666
Co3 O5 Co2 98.00(12) . .
C15 O5 Dy1 125.1(3) . 2_666
C15 O5 Co2 90.4(3) . .
C15 O5 Co3 122.0(3) . .
C17 O6 Dy1 136.5(3) . .
C17 O7 Co1 128.2(3) . .
C22 O8 Co1 127.5(3) . .
C22 O9 Co2 131.2(3) . .
C27 O10 Co3 125.7(3) . .
C27 O11 Dy1 141.4(3) . 2_666
C32 O12 Co2 127.2(3) . .
C32 O13 Dy1 130.9(3) . 2_666
C21 C23A H23D 109.5 . .
C21 C23A H23E 109.5 . .
C21 C23A H23F 109.5 . .
H23D C23A H23E 109.5 . .
H23D C23A H23F 109.5 . .
H23E C23A H23F 109.5 . .
C21 C24A H24D 109.5 . .
C21 C24A H24E 109.5 . .
C21 C24A H24F 109.5 . .
H24D C24A H24E 109.5 . .
H24D C24A H24F 109.5 . .
H24E C24A H24F 109.5 . .
C21 C25A H25D 109.5 . .
C21 C25A H25E 109.5 . .
C21 C25A H25F 109.5 . .
H25D C25A H25E 109.5 . .
H25D C25A H25F 109.5 . .
H25E C25A H25F 109.5 . .
Cl4 C38 Cl5 109(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy1 3.8957(4) 2_666
Dy1 Co1 3.4492(7) .
Dy1 O1 2.328(3) .
Dy1 O2 2.407(3) 2_666
Dy1 O2 2.349(3) .
Dy1 O3 2.395(3) .
Dy1 O5 2.391(3) 2_666
Dy1 O6 2.305(3) .
Dy1 O11 2.372(3) 2_666
Dy1 O13 2.381(3) 2_666
Co1 N4 2.104(4) .
Co1 O1 2.077(3) .
Co1 O3 2.101(3) .
Co1 O4 2.154(3) .
Co1 O7 2.063(3) .
Co1 O8 2.048(3) .
Co2 N3 2.156(4) .
Co2 O1 2.080(3) .
Co2 O4 2.115(3) .
Co2 O5 2.296(3) .
Co2 O9 2.007(3) .
Co2 O12 2.037(3) .
Co3 N1 2.174(4) .
Co3 N2 2.132(5) .
Co3 O2 2.058(3) .
Co3 O5 2.244(3) .
Co3 O10 1.999(4) .
Cl1 C1 1.734(6) .
Cl2 C6 1.754(7) .
Cl3 C11 1.737(6) .
C1 C2 1.374(8) .
C1 N1 1.338(7) .
C2 H2 0.9300 .
C2 C3 1.384(8) .
C3 H3 0.9300 .
C3 C4 1.373(7) .
C4 H4 0.9300 .
C4 C5 1.404(7) .
C5 N1 1.349(6) .
C5 O3 1.304(6) .
C6 C7 1.384(9) .
C6 N2 1.385(8) .
C7 H7 0.9300 .
C7 C8 1.353(10) .
C8 H8 0.9300 .
C8 C9 1.314(9) .
C9 H9 0.9300 .
C9 C10 1.423(8) .
C10 N2 1.325(7) .
C10 O4 1.302(6) .
C11 C12 1.364(8) .
C11 N3 1.337(6) .
C12 H12 0.9300 .
C12 C13 1.386(10) .
C13 H13 0.9300 .
C13 C14 1.388(8) .
C14 H14 0.9300 .
C14 C15 1.394(7) .
C15 N3 1.352(6) .
C15 O5 1.320(5) .
C16 C17 1.538(7) .
C16 C18 1.493(11) .
C16 C19 1.490(9) .
C16 C20 1.577(10) .
C17 O6 1.251(6) .
C17 O7 1.271(6) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22 1.545(7) .
C21 C23 1.548(12) .
C21 C24 1.525(12) .
C21 C25 1.528(12) .
C21 C23A 1.47(2) .
C21 C24A 1.51(3) .
C21 C25A 1.47(3) .
C22 O8 1.267(6) .
C22 O9 1.255(6) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.536(7) .
C26 C28 1.534(8) .
C26 C29 1.519(8) .
C26 C30 1.517(8) .
C27 O10 1.264(6) .
C27 O11 1.261(6) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.538(6) .
C31 C33 1.527(8) .
C31 C34 1.537(8) .
C31 C35 1.524(7) .
C32 O12 1.273(5) .
C32 O13 1.252(6) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 C37 1.475(8) .
C36 N4 1.128(7) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
O1 H1 0.8575 .
O2 Dy1 2.407(3) 2_666
O2 H2A 0.8632 .
O5 Dy1 2.391(3) 2_666
O11 Dy1 2.372(3) 2_666
O13 Dy1 2.380(3) 2_666
C23A H23D 0.9600 .
C23A H23E 0.9600 .
C23A H23F 0.9600 .
C24A H24D 0.9600 .
C24A H24E 0.9600 .
C24A H24F 0.9600 .
C25A H25D 0.9600 .
C25A H25E 0.9600 .
C25A H25F 0.9600 .
Cl4 C38 1.68(4) .
C38 Cl5 1.685(18) .
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_4
Cl1 C1 C2 C3 176.3(4) .
Cl1 C1 N1 Co3 11.2(7) .
Cl1 C1 N1 C5 -173.3(4) .
Cl2 C6 C7 C8 177.8(6) .
Cl2 C6 N2 Co3 9.3(10) .
Cl2 C6 N2 C10 -172.6(4) .
Cl3 C11 C12 C13 178.4(6) .
Cl3 C11 N3 Co2 11.1(9) .
Cl3 C11 N3 C15 -176.3(4) .
C1 C2 C3 C4 -1.4(8) .
C2 C1 N1 Co3 -172.0(4) .
C2 C1 N1 C5 3.4(8) .
C2 C3 C4 C5 0.1(8) .
C3 C4 C5 N1 3.1(8) .
C3 C4 C5 O3 -175.9(5) .
C4 C5 N1 Co3 171.9(4) .
C4 C5 N1 C1 -4.8(7) .
C4 C5 O3 Dy1 -85.8(6) .
C4 C5 O3 Co1 84.5(5) .
C6 C7 C8 C9 -4.7(12) .
C7 C6 N2 Co3 -173.4(6) .
C7 C6 N2 C10 4.7(9) .
C7 C8 C9 C10 2.8(11) .
C8 C9 C10 N2 3.6(9) .
C8 C9 C10 O4 -173.5(6) .
C9 C10 N2 Co3 172.0(5) .
C9 C10 N2 C6 -6.9(8) .
C9 C10 O4 Co1 -53.4(7) .
C9 C10 O4 Co2 90.2(5) .
C11 C12 C13 C14 -1.0(11) .
C12 C11 N3 Co2 -169.0(5) .
C12 C11 N3 C15 3.6(8) .
C12 C13 C14 C15 1.2(10) .
C13 C14 C15 N3 1.0(8) .
C13 C14 C15 O5 179.8(5) .
C14 C15 N3 Co2 172.5(4) .
C14 C15 N3 C11 -3.3(7) .
C14 C15 O5 Dy1 -47.9(6) 2_666
C14 C15 O5 Co2 -172.9(5) .
C14 C15 O5 Co3 87.4(5) .
C16 C17 O6 Dy1 165.8(4) .
C16 C17 O7 Co1 173.8(4) .
C18 C16 C17 O6 98.9(7) .
C18 C16 C17 O7 -79.0(8) .
C19 C16 C17 O6 -22.0(9) .
C19 C16 C17 O7 160.1(6) .
C20 C16 C17 O6 -138.4(6) .
C20 C16 C17 O7 43.7(8) .
C21 C22 O8 Co1 167.8(3) .
C21 C22 O9 Co2 -175.3(3) .
C23 C21 C22 O8 142.9(7) .
C23 C21 C22 O9 -38.8(8) .
C24 C21 C22 O8 -100.4(8) .
C24 C21 C22 O9 77.8(8) .
C25 C21 C22 O8 24.4(9) .
C25 C21 C22 O9 -157.3(8) .
C26 C27 O10 Co3 -161.4(3) .
C26 C27 O11 Dy1 149.0(4) 2_666
C28 C26 C27 O10 73.8(6) .
C28 C26 C27 O11 -103.2(6) .
C29 C26 C27 O10 -44.6(6) .
C29 C26 C27 O11 138.5(5) .
C30 C26 C27 O10 -166.6(5) .
C30 C26 C27 O11 16.4(7) .
C31 C32 O12 Co2 -115.5(4) .
C31 C32 O13 Dy1 -177.9(3) 2_666
C33 C31 C32 O12 162.5(5) .
C33 C31 C32 O13 -19.5(7) .
C34 C31 C32 O12 -78.3(6) .
C34 C31 C32 O13 99.7(5) .
C35 C31 C32 O12 39.3(6) .
C35 C31 C32 O13 -142.8(5) .
N1 C1 C2 C3 -0.4(8) .
N1 C5 O3 Dy1 95.2(5) .
N1 C5 O3 Co1 -94.5(4) .
N2 C6 C7 C8 0.7(12) .
N2 C10 O4 Co1 129.1(4) .
N2 C10 O4 Co2 -87.2(5) .
N3 C11 C12 C13 -1.4(11) .
N3 C15 O5 Dy1 130.9(3) 2_666
N3 C15 O5 Co2 6.0(4) .
N3 C15 O5 Co3 -93.7(4) .
O3 C5 N1 Co3 -9.1(5) .
O3 C5 N1 C1 174.3(4) .
O4 C10 N2 Co3 -10.7(5) .
O4 C10 N2 C6 170.4(5) .
O5 C15 N3 Co2 -6.4(4) .
O5 C15 N3 C11 177.8(4) .
O6 C17 O7 Co1 -3.9(8) .
O7 C17 O6 Dy1 -16.4(9) .
O8 C22 O9 Co2 2.7(7) .
O9 C22 O8 Co1 -10.2(7) .
O10 C27 O11 Dy1 -27.7(8) 2_666
O11 C27 O10 Co3 15.3(7) .
O12 C32 O13 Dy1 -0.1(7) 2_666
O13 C32 O12 Co2 66.7(6) .
C23A C21 C22 O8 -176.2(12) .
C23A C21 C22 O9 2.0(13) .
C24A C21 C22 O8 -55.3(13) .
C24A C21 C22 O9 122.9(13) .
C25A C21 C22 O8 63.3(13) .
C25A C21 C22 O9 -118.5(12) .
