#------------------------------------------------------------------------------
#$Date: 2015-07-11 01:26:29 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143685 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/53/7035395.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_7035395
loop_
_publ_author_name
'Zangana, Karzan H.'
'Moreno Pineda, Eufemio'
'Winpenny, Richard E. P.'
_publ_section_title
;
 Single molecule magnet behaviour in a {Dy4P2} octahedron.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12522
_journal_page_last               12525
_journal_paper_doi               10.1039/c5dt01786f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'2(C45 H69 Co3 N3 O13), C28 H58 Dy4 N6 O34 P2, 2(C2 H3 N)'
_chemical_formula_sum            'C122 H202 Co6 Dy4 N14 O60 P2'
_chemical_formula_weight         3890.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2015-02-25
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-03-22 deposited with the CCDC.
2015-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.9842(19)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.7542(2)
_cell_length_b                   19.4585(4)
_cell_length_c                   36.4590(7)
_cell_measurement_reflns_used    14214
_cell_measurement_temperature    150.1(1)
_cell_measurement_theta_max      28.6620
_cell_measurement_theta_min      3.5330
_cell_volume                     8258.0(3)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01)'
_computing_data_collection
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01)'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET) (compiled Aug 13 2014,18:06:01)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.1(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_details
;
  1 omega  -81.00    7.20   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.3571  -77.0000  -60.0000 294

  2 omega   20.00   47.00   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.3571   57.0000  -30.0000 90

  3 omega   31.00   56.80   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -       19.4509  -99.0000 -120.0000 86

  4 omega   21.00   49.50   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -       19.4509  -77.0000   90.0000 95

  5 omega  -50.00  -20.90   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -       19.4509  -77.0000   90.0000 97

  6 omega   37.00   91.00   0.3000   19.0000
omega____ theta____ kappa____ phi______ frames
    -       19.4509  178.0000 -150.0000 180
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0062190000
_diffrn_orient_matrix_UB_12      -0.0355228000
_diffrn_orient_matrix_UB_13      0.0041443000
_diffrn_orient_matrix_UB_21      0.0082473000
_diffrn_orient_matrix_UB_22      0.0077277000
_diffrn_orient_matrix_UB_23      0.0192063000
_diffrn_orient_matrix_UB_31      -0.0600426000
_diffrn_orient_matrix_UB_32      -0.0026212000
_diffrn_orient_matrix_UB_33      0.0002981000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_unetI/netI     0.0922
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            41706
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.182
_diffrn_reflns_theta_min         3.278
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.476
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91874
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       plate
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.214
_refine_diff_density_min         -1.333
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1059
_refine_ls_number_reflns         18920
_refine_ls_number_restraints     117
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0180P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.1012
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14626
_reflns_number_total             18920
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01786f2.cif
_cod_data_source_block           Dy4P4
_cod_depositor_comments
'Adding full bibliography for 7035395--7035396.cif.'
_cod_database_code               7035395
_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.
;
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 C9A-C7 \\sim C7-C10A \\sim C10A-C7 \\sim C7-C8A \\sim C8A-C7 \\sim C7-C9A
\\sim C9A-C7 \\sim C7-C6 \\sim C6-
 C7 \\sim C7-C10A \\sim C8A-C7 \\sim C7-C6
 with sigma of 0.02
 C9A-C8A \\sim C8A-C10A \\sim C8A-C10A \\sim C10A-C9A \\sim C10A-C9A \\sim
C9A-C8A
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C29, C27, C28, C29A, C30A, C28A, C30
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C25A, C22, C23, C23A, C24, C24A, C25
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7, C8, C8A, C9, C9A, C10, C10A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C28A)=Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29A)=Sof(H29D)=Sof(H29E)=
 Sof(H29F)=Sof(C30A)=Sof(H30D)=Sof(H30E)=Sof(H30F)=1-FVAR(1)
 Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=
 Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=FVAR(1)
 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(2)
 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(2)
 Sof(C8A)=Sof(H8AA)=Sof(H8AB)=Sof(H8AC)=Sof(C9A)=Sof(H9AA)=Sof(H9AB)=Sof(H9AC)=
 Sof(C10A)=Sof(H10F)=Sof(H10G)=Sof(H10H)=1-FVAR(3)
 Sof(C8)=Sof(H8A)=Sof(H8B)=Sof(H8C)=Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=
 Sof(C10)=Sof(H10C)=Sof(H10D)=Sof(H10E)=FVAR(3)
5.a Rotating group:
 O109(H10A,H10B)
5.b Aromatic/amide H refined with riding coordinates:
 C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47),
 C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C55(H55)
5.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C35(H35A,H35B,H35C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C),
 C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F), C25A(H25D,H25E,H25F), C28A(H28D,
 H28E,H28F), C29A(H29D,H29E,H29F), C30A(H30D,H30E,H30F), C2P(H2PA,H2PB,H2PC),
 C3(H3A,H3B,H3C), C3P(H3PA,H3PB,H3PC), C4(H4A,H4B,H4C), C4P(H4PA,H4PB,H4PC),
 C5(H5A,H5B,H5C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10C,H10D,H10E),
 C8A(H8AA,H8AB,H8AC), C9A(H9AA,H9AB,H9AC), C10A(H10F,H10G,H10H), C57(H57A,H57B,
 H57C)
;
_shelx_shelxl_version_number     2014/7
_olex2_date_sample_data_collection 2014-09-09
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Co1 Co 0.00592(5) 0.52976(3) 0.65706(2) 0.01583(13) Uani 1 1 d . . . . .
Co2 Co 0.01912(5) 0.37671(3) 0.62553(2) 0.01651(13) Uani 1 1 d . . . . .
Co10 Co 0.09759(5) 0.40708(3) 0.71164(2) 0.01475(13) Uani 1 1 d . . . . .
O5 O 0.2216(2) 0.46974(14) 0.71813(8) 0.0190(7) Uani 1 1 d . . . . .
O6 O 0.1310(2) 0.56336(14) 0.69105(8) 0.0193(7) Uani 1 1 d . . . . .
O7 O 0.0100(2) 0.46637(14) 0.73808(8) 0.0187(7) Uani 1 1 d . . . . .
O8 O -0.0931(2) 0.53068(14) 0.69365(9) 0.0193(7) Uani 1 1 d . . . . .
O9 O 0.1043(3) 0.53841(14) 0.62049(9) 0.0203(7) Uani 1 1 d . . . . .
O10 O 0.0617(3) 0.43923(15) 0.58991(9) 0.0223(7) Uani 1 1 d . . . . .
O11 O -0.1277(2) 0.51332(14) 0.62203(9) 0.0193(7) Uani 1 1 d . . . . .
O12 O -0.1386(2) 0.39837(14) 0.61508(9) 0.0206(7) Uani 1 1 d . . . . .
O13 O 0.1752(2) 0.34825(15) 0.63231(8) 0.0198(7) Uani 1 1 d . . . . .
O14 O 0.2006(2) 0.34268(14) 0.69460(8) 0.0188(7) Uani 1 1 d . . . . .
O15 O -0.0257(2) 0.30106(14) 0.65322(8) 0.0193(7) Uani 1 1 d . . . . .
O16 O -0.0238(2) 0.34315(14) 0.71064(8) 0.0182(7) Uani 1 1 d . . . . .
O17 O 0.0452(2) 0.43841(14) 0.66461(8) 0.0179(7) Uani 1 1 d . . . . .
N4 N 0.1552(3) 0.36780(17) 0.76146(10) 0.0177(8) Uani 1 1 d . . . . .
N5 N -0.0373(3) 0.62930(17) 0.64730(10) 0.0192(8) Uani 1 1 d . . . . .
N6 N -0.0065(3) 0.31243(17) 0.58227(10) 0.0193(8) Uani 1 1 d . . . . .
C11 C -0.0684(4) 0.5080(2) 0.72616(13) 0.0181(10) Uani 1 1 d . . . . .
C12 C -0.1388(4) 0.5379(2) 0.75529(14) 0.0279(11) Uani 1 1 d . . . . .
C13 C -0.2629(4) 0.5464(3) 0.73878(16) 0.0420(15) Uani 1 1 d . . . . .
H13A H -0.2952 0.5023 0.7316 0.063 Uiso 1 1 calc GR . . . .
H13B H -0.2676 0.5757 0.7174 0.063 Uiso 1 1 calc GR . . . .
H13C H -0.3049 0.5668 0.7568 0.063 Uiso 1 1 calc GR . . . .
C14 C -0.0859(5) 0.6094(3) 0.76432(18) 0.0499(17) Uani 1 1 d . . . . .
H14A H -0.1248 0.6313 0.7827 0.075 Uiso 1 1 calc GR . . . .
H14B H -0.0942 0.6369 0.7422 0.075 Uiso 1 1 calc GR . . . .
H14C H -0.0059 0.6045 0.7737 0.075 Uiso 1 1 calc GR . . . .
C15 C -0.1276(5) 0.4944(3) 0.78969(15) 0.0496(16) Uani 1 1 d . . . . .
H15A H -0.0481 0.4907 0.7999 0.074 Uiso 1 1 calc GR . . . .
H15B H -0.1582 0.4495 0.7836 0.074 Uiso 1 1 calc GR . . . .
H15C H -0.1695 0.5154 0.8075 0.074 Uiso 1 1 calc GR . . . .
C16 C 0.2144(4) 0.5331(2) 0.70970(13) 0.0214(10) Uani 1 1 d . . . . .
C17 C 0.3183(4) 0.5779(2) 0.72419(14) 0.0249(11) Uani 1 1 d . . . . .
C18 C 0.2750(5) 0.6410(3) 0.74305(17) 0.0467(16) Uani 1 1 d . . . . .
H18A H 0.3384 0.6710 0.7510 0.070 Uiso 1 1 calc GR . . . .
H18B H 0.2402 0.6267 0.7641 0.070 Uiso 1 1 calc GR . . . .
H18C H 0.2193 0.6648 0.7259 0.070 Uiso 1 1 calc GR . . . .
C19 C 0.3742(5) 0.6002(3) 0.69069(17) 0.0575(19) Uani 1 1 d . . . . .
H19A H 0.4007 0.5604 0.6788 0.086 Uiso 1 1 calc GR . . . .
H19B H 0.4380 0.6300 0.6987 0.086 Uiso 1 1 calc GR . . . .
H19C H 0.3189 0.6243 0.6735 0.086 Uiso 1 1 calc GR . . . .
C20 C 0.4043(5) 0.5391(3) 0.75124(18) 0.0536(19) Uani 1 1 d . . . . .
H20A H 0.4340 0.5009 0.7388 0.080 Uiso 1 1 calc GR . . . .
H20B H 0.3673 0.5225 0.7714 0.080 Uiso 1 1 calc GR . . . .
H20C H 0.4662 0.5692 0.7607 0.080 Uiso 1 1 calc GR . . . .
C21 C -0.1801(4) 0.4582(2) 0.61312(12) 0.0203(10) Uani 1 1 d . . . . .
C22 C -0.3073(4) 0.4647(2) 0.59731(15) 0.0297(11) Uani 1 1 d . U . . .
C26 C 0.1110(4) 0.4968(2) 0.59472(13) 0.0203(10) Uani 1 1 d . . . . .
C27 C 0.1894(5) 0.5173(3) 0.56609(15) 0.0322(12) Uani 1 1 d . U . . .
C31 C 0.2326(4) 0.3345(2) 0.66335(13) 0.0171(10) Uani 1 1 d . . . . .
C32 C 0.3548(4) 0.3077(2) 0.66346(13) 0.0251(11) Uani 1 1 d . . . . .
C33 C 0.3742(4) 0.2843(3) 0.62502(15) 0.0398(14) Uani 1 1 d . . . . .
H33A H 0.4523 0.2694 0.6257 0.060 Uiso 1 1 calc GR . . . .
H33B H 0.3594 0.3219 0.6079 0.060 Uiso 1 1 calc GR . . . .
H33C H 0.3233 0.2470 0.6172 0.060 Uiso 1 1 calc GR . . . .
C34 C 0.3760(4) 0.2488(3) 0.69113(15) 0.0404(14) Uani 1 1 d . . . . .
H34A H 0.4531 0.2322 0.6916 0.061 Uiso 1 1 calc GR . . . .
H34B H 0.3228 0.2122 0.6838 0.061 Uiso 1 1 calc GR . . . .
H34C H 0.3655 0.2648 0.7153 0.061 Uiso 1 1 calc GR . . . .
C35 C 0.4359(4) 0.3675(3) 0.67624(17) 0.0439(15) Uani 1 1 d . . . . .
H35A H 0.4202 0.3838 0.6999 0.066 Uiso 1 1 calc GR . . . .
H35B H 0.4242 0.4042 0.6585 0.066 Uiso 1 1 calc GR . . . .
H35C H 0.5141 0.3520 0.6783 0.066 Uiso 1 1 calc GR . . . .
C36 C -0.0551(3) 0.3010(2) 0.68536(13) 0.0187(10) Uani 1 1 d . . . . .
C37 C -0.1381(4) 0.2453(2) 0.69386(13) 0.0243(11) Uani 1 1 d . . . . .
C38 C -0.1002(5) 0.1762(2) 0.67862(15) 0.0407(14) Uani 1 1 d . . . . .
H38A H -0.1578 0.1420 0.6807 0.061 Uiso 1 1 calc GR . . . .
H38B H -0.0288 0.1621 0.6926 0.061 Uiso 1 1 calc GR . . . .
H38C H -0.0904 0.1816 0.6531 0.061 Uiso 1 1 calc GR . . . .
C39 C -0.1428(5) 0.2391(3) 0.73520(15) 0.0443(15) Uani 1 1 d . . . . .
H39A H -0.1742 0.2805 0.7440 0.066 Uiso 1 1 calc GR . . . .
H39B H -0.0666 0.2321 0.7480 0.066 Uiso 1 1 calc GR . . . .
H39C H -0.1905 0.2008 0.7397 0.066 Uiso 1 1 calc GR . . . .
C40 C -0.2559(4) 0.2651(3) 0.67300(17) 0.0437(15) Uani 1 1 d . . . . .
H40A H -0.2767 0.3101 0.6806 0.066 Uiso 1 1 calc GR . . . .
H40B H -0.3124 0.2324 0.6785 0.066 Uiso 1 1 calc GR . . . .
H40C H -0.2525 0.2651 0.6468 0.066 Uiso 1 1 calc GR . . . .
C41 C 0.0816(4) 0.3487(2) 0.78468(13) 0.0213(10) Uani 1 1 d . . . . .
H41 H 0.0046 0.3605 0.7789 0.026 Uiso 1 1 calc R . . . .
C42 C 0.1156(4) 0.3127(2) 0.81638(13) 0.0235(11) Uani 1 1 d . . . . .
H42 H 0.0621 0.3000 0.8317 0.028 Uiso 1 1 calc R . . . .
C43 C 0.2290(4) 0.2952(2) 0.82562(13) 0.0266(11) Uani 1 1 d . . . . .
H43 H 0.2533 0.2701 0.8470 0.032 Uiso 1 1 calc R . . . .
C44 C 0.3058(4) 0.3155(2) 0.80273(13) 0.0256(11) Uani 1 1 d . . . . .
H44 H 0.3832 0.3046 0.8085 0.031 Uiso 1 1 calc R . . . .
C45 C 0.2670(4) 0.3524(2) 0.77094(13) 0.0210(10) Uani 1 1 d . . . . .
H45 H 0.3197 0.3669 0.7557 0.025 Uiso 1 1 calc R . . . .
C46 C 0.0327(4) 0.6732(2) 0.63315(13) 0.0248(11) Uani 1 1 d . . . . .
H46 H 0.1071 0.6593 0.6309 0.030 Uiso 1 1 calc R . . . .
C47 C -0.0022(4) 0.7389(2) 0.62182(14) 0.0289(12) Uani 1 1 d . . . . .
H47 H 0.0466 0.7674 0.6107 0.035 Uiso 1 1 calc R . . . .
C48 C -0.1085(5) 0.7612(2) 0.62704(15) 0.0348(13) Uani 1 1 d . . . . .
H48 H -0.1324 0.8055 0.6202 0.042 Uiso 1 1 calc R . . . .
C49 C -0.1805(4) 0.7171(2) 0.64265(15) 0.0331(13) Uani 1 1 d . . . . .
H49 H -0.2536 0.7311 0.6465 0.040 Uiso 1 1 calc R . . . .
C50 C -0.1418(4) 0.6518(2) 0.65239(14) 0.0284(12) Uani 1 1 d . . . . .
H50 H -0.1901 0.6221 0.6629 0.034 Uiso 1 1 calc R . . . .
C51 C -0.0676(4) 0.3325(2) 0.55041(13) 0.0285(12) Uani 1 1 d . . . . .
H51 H -0.1006 0.3760 0.5490 0.034 Uiso 1 1 calc R . . . .
C52 C -0.0833(4) 0.2906(2) 0.51963(14) 0.0317(12) Uani 1 1 d . . . . .
H52 H -0.1280 0.3057 0.4981 0.038 Uiso 1 1 calc R . . . .
C53 C -0.0336(4) 0.2273(2) 0.52071(14) 0.0266(11) Uani 1 1 d . . . . .
H53 H -0.0415 0.1992 0.4999 0.032 Uiso 1 1 calc R . . . .
C54 C 0.0291(4) 0.2060(2) 0.55375(14) 0.0295(12) Uani 1 1 d . . . . .
H54 H 0.0641 0.1631 0.5554 0.035 Uiso 1 1 calc R . . . .
C55 C 0.0391(4) 0.2489(2) 0.58399(14) 0.0245(11) Uani 1 1 d . . . . .
H55 H 0.0787 0.2335 0.6063 0.029 Uiso 1 1 calc R . . . .
C23 C -0.357(2) 0.3993(10) 0.5819(6) 0.045(5) Uani 0.52(2) 1 d . U P A 1
H23A H -0.4384 0.4046 0.5750 0.068 Uiso 0.52(2) 1 calc GR . P A 1
H23B H -0.3425 0.3637 0.6002 0.068 Uiso 0.52(2) 1 calc GR . P A 1
H23C H -0.3225 0.3870 0.5605 0.068 Uiso 0.52(2) 1 calc GR . P A 1
C24 C -0.3650(12) 0.4859(9) 0.6323(4) 0.045(3) Uani 0.52(2) 1 d . U P A 1
H24A H -0.3292 0.5269 0.6431 0.068 Uiso 0.52(2) 1 calc GR . P A 1
H24B H -0.3553 0.4494 0.6502 0.068 Uiso 0.52(2) 1 calc GR . P A 1
H24C H -0.4454 0.4941 0.6249 0.068 Uiso 0.52(2) 1 calc GR . P A 1
C25 C -0.3226(11) 0.5225(8) 0.5705(5) 0.044(4) Uani 0.52(2) 1 d . U P A 1
H25A H -0.2761 0.5147 0.5513 0.066 Uiso 0.52(2) 1 calc GR . P A 1
H25B H -0.2996 0.5646 0.5831 0.066 Uiso 0.52(2) 1 calc GR . P A 1
H25C H -0.4018 0.5254 0.5599 0.066 Uiso 0.52(2) 1 calc GR . P A 1
C28 C 0.1339(12) 0.5036(8) 0.5283(3) 0.082(5) Uani 0.568(9) 1 d . U P B 1
H28A H 0.1837 0.5179 0.5110 0.122 Uiso 0.568(9) 1 calc GR . P B 1
H28B H 0.0630 0.5287 0.5238 0.122 Uiso 0.568(9) 1 calc GR . P B 1
H28C H 0.1185 0.4553 0.5254 0.122 Uiso 0.568(9) 1 calc GR . P B 1
C29 C 0.2994(9) 0.4738(6) 0.5751(4) 0.059(4) Uani 0.568(9) 1 d . U P B 1
H29A H 0.2790 0.4266 0.5781 0.088 Uiso 0.568(9) 1 calc GR . P B 1
H29B H 0.3433 0.4902 0.5976 0.088 Uiso 0.568(9) 1 calc GR . P B 1
H29C H 0.3446 0.4775 0.5552 0.088 Uiso 0.568(9) 1 calc GR . P B 1
C30 C 0.2257(12) 0.5907(5) 0.5693(4) 0.059(4) Uani 0.568(9) 1 d . U P B 1
H30A H 0.2629 0.5995 0.5940 0.088 Uiso 0.568(9) 1 calc GR . P B 1
H30B H 0.1594 0.6197 0.5641 0.088 Uiso 0.568(9) 1 calc GR . P B 1
H30C H 0.2781 0.6001 0.5520 0.088 Uiso 0.568(9) 1 calc GR . P B 1
C23A C -0.371(2) 0.3955(11) 0.5942(6) 0.036(4) Uani 0.48(2) 1 d . U P A 2
H23D H -0.4488 0.4025 0.5832 0.054 Uiso 0.48(2) 1 calc GR . P A 2
H23E H -0.3693 0.3760 0.6184 0.054 Uiso 0.48(2) 1 calc GR . P A 2
H23F H -0.3334 0.3648 0.5790 0.054 Uiso 0.48(2) 1 calc GR . P A 2
C24A C -0.3683(13) 0.5154(9) 0.6169(5) 0.048(4) Uani 0.48(2) 1 d . U P A 2
H24D H -0.3315 0.5594 0.6162 0.072 Uiso 0.48(2) 1 calc GR . P A 2
H24E H -0.3671 0.5013 0.6422 0.072 Uiso 0.48(2) 1 calc GR . P A 2
H24F H -0.4465 0.5189 0.6052 0.072 Uiso 0.48(2) 1 calc GR . P A 2
C25A C -0.3064(12) 0.4905(10) 0.5554(4) 0.043(4) Uani 0.48(2) 1 d . U P A 2
H25D H -0.2633 0.5325 0.5555 0.064 Uiso 0.48(2) 1 calc GR . P A 2
H25E H -0.3838 0.4985 0.5439 0.064 Uiso 0.48(2) 1 calc GR . P A 2
H25F H -0.2715 0.4561 0.5417 0.064 Uiso 0.48(2) 1 calc GR . P A 2
C28A C 0.1232(15) 0.5718(8) 0.5417(4) 0.062(5) Uani 0.432(9) 1 d . U P B 2
H28D H 0.1074 0.6103 0.5567 0.094 Uiso 0.432(9) 1 calc GR . P B 2
H28E H 0.0522 0.5527 0.5298 0.094 Uiso 0.432(9) 1 calc GR . P B 2
H28F H 0.1684 0.5868 0.5232 0.094 Uiso 0.432(9) 1 calc GR . P B 2
C29A C 0.2053(17) 0.4571(7) 0.5414(5) 0.065(5) Uani 0.432(9) 1 d . U P B 2
H29D H 0.2440 0.4720 0.5213 0.097 Uiso 0.432(9) 1 calc GR . P B 2
H29E H 0.1316 0.4384 0.5317 0.097 Uiso 0.432(9) 1 calc GR . P B 2
H29F H 0.2504 0.4224 0.5554 0.097 Uiso 0.432(9) 1 calc GR . P B 2
C30A C 0.2984(14) 0.5454(12) 0.5859(5) 0.090(6) Uani 0.432(9) 1 d . U P B 2
H30D H 0.3322 0.5126 0.6038 0.136 Uiso 0.432(9) 1 calc GR . P B 2
H30E H 0.2828 0.5872 0.5983 0.136 Uiso 0.432(9) 1 calc GR . P B 2
H30F H 0.3505 0.5547 0.5685 0.136 Uiso 0.432(9) 1 calc GR . P B 2
Dy1 Dy 0.45562(2) 0.89734(2) 0.55735(2) 0.01657(6) Uani 1 1 d . . . . .
Dy2 Dy 0.27524(2) 1.04452(2) 0.50086(2) 0.01706(6) Uani 1 1 d . . . . .
P1 P 0.42798(9) 0.94579(6) 0.46165(3) 0.0151(2) Uani 1 1 d . . . . .
O1 O 0.3144(3) 0.97188(15) 0.56985(9) 0.0233(7) Uani 1 1 d . . . . .
O1N O 0.6144(3) 0.84327(16) 0.59834(9) 0.0266(8) Uani 1 1 d . . . . .
O2 O 0.2096(3) 1.06537(15) 0.55789(9) 0.0235(7) Uani 1 1 d . . . . .
O2N O 0.6507(3) 0.86124(19) 0.65764(10) 0.0432(10) Uani 1 1 d . . . . .
O3 O 0.2906(3) 1.15903(16) 0.48801(11) 0.0370(9) Uani 1 1 d . . . . .
O3N O 0.5197(3) 0.92163(16) 0.62317(9) 0.0257(8) Uani 1 1 d . . . . .
O4 O 0.4656(3) 1.18411(16) 0.47518(9) 0.0272(8) Uani 1 1 d . . . . .
O4N O 0.2792(2) 0.83006(15) 0.53657(9) 0.0232(7) Uani 1 1 d . . . . .
O5N O 0.2072(3) 0.75386(18) 0.57051(10) 0.0399(10) Uani 1 1 d . . . . .
O6N O 0.3637(3) 0.80919(16) 0.59178(9) 0.0281(8) Uani 1 1 d . . . . .
O7N O 0.1573(3) 1.06681(17) 0.43861(9) 0.0278(8) Uani 1 1 d . . . . .
O8N O 0.0733(2) 1.08420(16) 0.48694(9) 0.0232(7) Uani 1 1 d . . . . .
O9N O -0.0096(3) 1.11784(19) 0.43272(10) 0.0430(10) Uani 1 1 d . . . . .
O100 O 0.3755(2) 0.93610(14) 0.49776(8) 0.0154(6) Uani 1 1 d . . . . .
O109 O 0.1468(2) 0.94593(15) 0.49999(9) 0.0245(8) Uani 1 1 d . . . . .
H10A H 0.0808 0.9585 0.5058 0.037 Uiso 1 1 d GR . . . .
H10B H 0.1763 0.9155 0.5159 0.037 Uiso 1 1 d GR . . . .
O115 O 0.4030(2) 1.02256(14) 0.45143(8) 0.0170(7) Uani 1 1 d . . . . .
O129 O 0.5541(2) 0.92909(14) 0.46580(8) 0.0182(7) Uani 1 1 d . . . . .
N1 N 0.5965(3) 0.8750(2) 0.62727(11) 0.0250(9) Uani 1 1 d . . . . .
N2 N 0.2799(3) 0.79620(19) 0.56623(11) 0.0235(9) Uani 1 1 d . . . . .
N3 N 0.0713(3) 1.09049(19) 0.45170(12) 0.0262(9) Uani 1 1 d . . . . .
C1 C 0.2487(4) 1.0194(2) 0.58033(13) 0.0206(10) Uani 1 1 d . . . . .
C1P C 0.3534(4) 0.8911(2) 0.42554(13) 0.0215(10) Uani 1 1 d . . . . .
C2 C 0.2215(4) 1.0202(2) 0.61998(13) 0.0225(10) Uani 1 1 d . . . . .
C2P C 0.4153(4) 0.8957(3) 0.39182(13) 0.0352(13) Uani 1 1 d . . . . .
H2PA H 0.3725 0.8709 0.3716 0.053 Uiso 1 1 calc GR . . . .
H2PB H 0.4905 0.8759 0.3975 0.053 Uiso 1 1 calc GR . . . .
H2PC H 0.4219 0.9430 0.3849 0.053 Uiso 1 1 calc GR . . . .
C3 C 0.2193(5) 0.9486(3) 0.63518(16) 0.0439(15) Uani 1 1 d . . . . .
H3A H 0.1573 0.9233 0.6214 0.066 Uiso 1 1 calc GR . . . .
H3B H 0.2083 0.9505 0.6608 0.066 Uiso 1 1 calc GR . . . .
H3C H 0.2908 0.9260 0.6331 0.066 Uiso 1 1 calc GR . . . .
C3P C 0.2293(4) 0.9144(3) 0.41514(15) 0.0397(14) Uani 1 1 d . . . . .
H3PA H 0.2280 0.9615 0.4073 0.060 Uiso 1 1 calc GR . . . .
H3PB H 0.1893 0.9101 0.4363 0.060 Uiso 1 1 calc GR . . . .
H3PC H 0.1925 0.8863 0.3953 0.060 Uiso 1 1 calc GR . . . .
C4 C 0.3181(6) 1.0611(4) 0.64290(18) 0.081(3) Uani 1 1 d . . . . .
H4A H 0.3910 1.0412 0.6399 0.121 Uiso 1 1 calc GR . . . .
H4B H 0.3080 1.0598 0.6686 0.121 Uiso 1 1 calc GR . . . .
H4C H 0.3158 1.1080 0.6345 0.121 Uiso 1 1 calc GR . . . .
C4P C 0.3549(5) 0.8177(2) 0.43967(15) 0.0412(15) Uani 1 1 d . . . . .
H4PA H 0.3148 0.7885 0.4209 0.062 Uiso 1 1 calc GR . . . .
H4PB H 0.3178 0.8157 0.4615 0.062 Uiso 1 1 calc GR . . . .
H4PC H 0.4329 0.8024 0.4455 0.062 Uiso 1 1 calc GR . . . .
C5 C 0.1075(5) 1.0548(3) 0.62152(17) 0.067(2) Uani 1 1 d . . . . .
H5A H 0.1139 1.1029 0.6163 0.101 Uiso 1 1 calc GR . . . .
H5B H 0.0859 1.0492 0.6458 0.101 Uiso 1 1 calc GR . . . .
H5C H 0.0501 1.0344 0.6035 0.101 Uiso 1 1 calc GR . . . .
C6 C 0.3698(4) 1.2004(2) 0.48336(12) 0.0201(10) Uani 1 1 d D . . . .
C7 C 0.3444(4) 1.2766(2) 0.48808(17) 0.0383(13) Uani 1 1 d D U . . .
C8 C 0.2345(7) 1.2966(6) 0.4658(3) 0.040(2) Uani 0.740(11) 1 d . U P C 1
H8A H 0.2415 1.2933 0.4400 0.060 Uiso 0.740(11) 1 calc GR . P C 1
H8B H 0.2160 1.3430 0.4717 0.060 Uiso 0.740(11) 1 calc GR . P C 1
H8C H 0.1745 1.2664 0.4714 0.060 Uiso 0.740(11) 1 calc GR . P C 1
C9 C 0.3244(10) 1.2806(5) 0.5304(3) 0.081(4) Uani 0.740(11) 1 d . U P C 1
H9A H 0.2661 1.2482 0.5348 0.122 Uiso 0.740(11) 1 calc GR . P C 1
H9B H 0.3002 1.3261 0.5359 0.122 Uiso 0.740(11) 1 calc GR . P C 1
H9C H 0.3947 1.2698 0.5461 0.122 Uiso 0.740(11) 1 calc GR . P C 1
C10 C 0.4444(7) 1.3215(4) 0.4853(4) 0.077(4) Uani 0.740(11) 1 d . U P C 1
H10C H 0.5106 1.3036 0.5007 0.115 Uiso 0.740(11) 1 calc GR . P C 1
H10D H 0.4283 1.3670 0.4933 0.115 Uiso 0.740(11) 1 calc GR . P C 1
H10E H 0.4590 1.3229 0.4600 0.115 Uiso 0.740(11) 1 calc GR . P C 1
C8A C 0.2185(16) 1.296(2) 0.4806(7) 0.043(7) Uani 0.260(11) 1 d D U P C 2
H8AA H 0.1817 1.2708 0.4597 0.064 Uiso 0.260(11) 1 calc GR . P C 2
H8AB H 0.2119 1.3446 0.4754 0.064 Uiso 0.260(11) 1 calc GR . P C 2
H8AC H 0.1822 1.2858 0.5019 0.064 Uiso 0.260(11) 1 calc GR . P C 2
C9A C 0.4081(19) 1.3086(11) 0.5211(6) 0.052(6) Uani 0.260(11) 1 d D U P C 2
H9AA H 0.3909 1.2852 0.5428 0.077 Uiso 0.260(11) 1 calc GR . P C 2
H9AB H 0.3862 1.3560 0.5222 0.077 Uiso 0.260(11) 1 calc GR . P C 2
H9AC H 0.4891 1.3057 0.5199 0.077 Uiso 0.260(11) 1 calc GR . P C 2
C10A C 0.398(2) 1.3075(10) 0.4529(6) 0.056(6) Uani 0.260(11) 1 d D U P C 2
H10F H 0.4641 1.2810 0.4488 0.084 Uiso 0.260(11) 1 calc GR . P C 2
H10G H 0.4204 1.3545 0.4577 0.084 Uiso 0.260(11) 1 calc GR . P C 2
H10H H 0.3414 1.3054 0.4312 0.084 Uiso 0.260(11) 1 calc GR . P C 2
N7 N 0.9235(8) 0.8676(6) 0.7255(3) 0.132(4) Uani 1 1 d . . . . .
C56 C 0.9119(7) 0.9001(6) 0.6999(3) 0.085(4) Uani 1 1 d . . . . .
C57 C 0.8978(7) 0.9421(4) 0.6672(3) 0.099(3) Uani 1 1 d . . . . .
H57A H 0.9608 0.9344 0.6536 0.149 Uiso 1 1 calc GR . . . .
H57B H 0.8960 0.9896 0.6742 0.149 Uiso 1 1 calc GR . . . .
H57C H 0.8270 0.9303 0.6521 0.149 Uiso 1 1 calc GR . . . .
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'
P P 0.1023 0.0942 '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
O6 Co1 O11 169.48(12) . .
O6 Co1 N5 86.45(13) . .
O8 Co1 O6 91.89(13) . .
O8 Co1 O9 174.34(13) . .
O8 Co1 O11 86.77(13) . .
O8 Co1 N5 87.17(14) . .
O9 Co1 O6 86.33(13) . .
O9 Co1 O11 94.00(13) . .
O9 Co1 N5 87.36(14) . .
O11 Co1 N5 83.06(13) . .
O17 Co1 O6 94.53(13) . .
O17 Co1 O8 94.02(13) . .
O17 Co1 O9 91.48(13) . .
O17 Co1 O11 95.97(13) . .
O17 Co1 N5 178.43(14) . .
O10 Co2 O13 86.24(13) . .
O10 Co2 O15 168.39(13) . .
O10 Co2 N6 83.48(14) . .
O12 Co2 O10 93.65(13) . .
O12 Co2 O13 174.34(13) . .
O12 Co2 O15 86.74(13) . .
O12 Co2 N6 86.83(14) . .
O13 Co2 O15 92.23(13) . .
O13 Co2 N6 87.54(14) . .
O15 Co2 N6 84.96(14) . .
O17 Co2 O10 94.56(13) . .
O17 Co2 O12 93.65(13) . .
O17 Co2 O13 92.00(13) . .
O17 Co2 O15 97.00(13) . .
O17 Co2 N6 178.01(14) . .
O5 Co10 O7 90.43(13) . .
O5 Co10 O14 87.19(12) . .
O5 Co10 N4 88.54(14) . .
O7 Co10 O14 168.58(13) . .
O7 Co10 N4 84.84(13) . .
O14 Co10 N4 83.93(13) . .
O16 Co10 O5 173.93(13) . .
O16 Co10 O7 87.07(12) . .
O16 Co10 O14 94.19(12) . .
O16 Co10 N4 85.73(14) . .
O17 Co10 O5 93.16(13) . .
O17 Co10 O7 97.88(13) . .
O17 Co10 O14 93.41(13) . .
O17 Co10 O16 92.66(13) . .
O17 Co10 N4 176.77(13) . .
C16 O5 Co10 124.8(3) . .
C16 O6 Co1 131.6(3) . .
C11 O7 Co10 129.7(3) . .
C11 O8 Co1 125.2(3) . .
C26 O9 Co1 125.5(3) . .
C26 O10 Co2 129.3(3) . .
C21 O11 Co1 130.1(3) . .
C21 O12 Co2 125.4(3) . .
C31 O13 Co2 124.4(3) . .
C31 O14 Co10 131.4(3) . .
C36 O15 Co2 128.5(3) . .
C36 O16 Co10 126.2(3) . .
Co1 O17 Co2 119.79(16) . .
Co10 O17 Co1 120.07(15) . .
Co10 O17 Co2 119.90(15) . .
C41 N4 Co10 120.7(3) . .
C41 N4 C45 117.9(4) . .
C45 N4 Co10 120.9(3) . .
C46 N5 Co1 121.8(3) . .
C46 N5 C50 118.0(4) . .
C50 N5 Co1 120.1(3) . .
C51 N6 Co2 120.4(3) . .
C51 N6 C55 118.1(4) . .
C55 N6 Co2 121.5(3) . .
O7 C11 O8 127.8(4) . .
O7 C11 C12 116.1(4) . .
O8 C11 C12 116.0(4) . .
C13 C12 C11 110.3(4) . .
C13 C12 C14 108.9(4) . .
C14 C12 C11 104.3(4) . .
C15 C12 C11 111.6(4) . .
C15 C12 C13 111.3(5) . .
C15 C12 C14 110.1(5) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O5 C16 C17 116.4(4) . .
O6 C16 O5 127.3(4) . .
O6 C16 C17 116.3(4) . .
C18 C17 C16 108.2(4) . .
C18 C17 C19 109.7(5) . .
C19 C17 C16 107.2(4) . .
C20 C17 C16 111.7(4) . .
C20 C17 C18 110.0(4) . .
C20 C17 C19 109.9(5) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O11 C21 O12 127.0(4) . .
O11 C21 C22 116.4(4) . .
O12 C21 C22 116.6(4) . .
C21 C22 C24 102.9(7) . .
C21 C22 C23A 113.1(12) . .
C21 C22 C25A 104.4(6) . .
C23 C22 C21 112.6(12) . .
C23 C22 C24 109.8(10) . .
C23 C22 C25 113.4(11) . .
C25 C22 C21 109.5(6) . .
C25 C22 C24 108.0(7) . .
C23A C22 C25A 105.7(10) . .
C24A C22 C21 113.1(7) . .
C24A C22 C23A 111.2(12) . .
C24A C22 C25A 108.8(8) . .
O9 C26 O10 127.0(4) . .
O9 C26 C27 116.7(4) . .
O10 C26 C27 116.3(4) . .
C26 C27 C29 106.1(5) . .
C28 C27 C26 111.1(6) . .
C28 C27 C29 110.6(9) . .
C28 C27 C30 109.5(9) . .
C30 C27 C26 112.7(6) . .
C30 C27 C29 106.6(8) . .
C28A C27 C26 105.7(6) . .
C29A C27 C26 109.9(6) . .
C29A C27 C28A 106.8(10) . .
C30A C27 C26 108.8(8) . .
C30A C27 C28A 111.2(12) . .
C30A C27 C29A 114.1(12) . .
O13 C31 C32 117.4(4) . .
O14 C31 O13 126.5(4) . .
O14 C31 C32 116.1(4) . .
C31 C32 C35 106.6(4) . .
C33 C32 C31 111.2(4) . .
C33 C32 C34 110.7(4) . .
C33 C32 C35 109.8(4) . .
C34 C32 C31 109.0(4) . .
C34 C32 C35 109.4(4) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O15 C36 C37 117.0(4) . .
O16 C36 O15 126.3(4) . .
O16 C36 C37 116.7(4) . .
C36 C37 C38 108.8(4) . .
C36 C37 C39 111.8(4) . .
C36 C37 C40 106.4(4) . .
C39 C37 C38 109.8(4) . .
C39 C37 C40 110.9(4) . .
C40 C37 C38 109.0(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38B 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39B 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40B 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N4 C41 H41 118.7 . .
N4 C41 C42 122.5(4) . .
C42 C41 H41 118.7 . .
C41 C42 H42 120.1 . .
C41 C42 C43 119.7(5) . .
C43 C42 H42 120.1 . .
C42 C43 H43 120.7 . .
C44 C43 C42 118.6(4) . .
C44 C43 H43 120.7 . .
C43 C44 H44 120.3 . .
C43 C44 C45 119.5(4) . .
C45 C44 H44 120.3 . .
N4 C45 C44 121.8(4) . .
N4 C45 H45 119.1 . .
C44 C45 H45 119.1 . .
N5 C46 H46 119.0 . .
N5 C46 C47 122.0(4) . .
C47 C46 H46 119.0 . .
C46 C47 H47 120.3 . .
C48 C47 C46 119.5(5) . .
C48 C47 H47 120.3 . .
C47 C48 H48 120.5 . .
C47 C48 C49 119.0(5) . .
C49 C48 H48 120.5 . .
C48 C49 H49 120.7 . .
C50 C49 C48 118.6(5) . .
C50 C49 H49 120.7 . .
N5 C50 C49 122.8(5) . .
N5 C50 H50 118.6 . .
C49 C50 H50 118.6 . .
N6 C51 H51 119.0 . .
N6 C51 C52 122.0(4) . .
C52 C51 H51 119.0 . .
C51 C52 H52 119.9 . .
C53 C52 C51 120.2(5) . .
C53 C52 H52 119.9 . .
C52 C53 H53 121.0 . .
C52 C53 C54 118.0(5) . .
C54 C53 H53 121.0 . .
C53 C54 H54 120.3 . .
C55 C54 C53 119.5(4) . .
C55 C54 H54 120.3 . .
N6 C55 C54 122.1(4) . .
N6 C55 H55 119.0 . .
C54 C55 H55 119.0 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C22 C23A H23D 109.5 . .
C22 C23A H23E 109.5 . .
C22 C23A H23F 109.5 . .
H23D C23A H23E 109.5 . .
H23D C23A H23F 109.5 . .
H23E C23A H23F 109.5 . .
C22 C24A H24D 109.5 . .
C22 C24A H24E 109.5 . .
C22 C24A H24F 109.5 . .
H24D C24A H24E 109.5 . .
H24D C24A H24F 109.5 . .
H24E C24A H24F 109.5 . .
C22 C25A H25D 109.5 . .
C22 C25A H25E 109.5 . .
C22 C25A H25F 109.5 . .
H25D C25A H25E 109.5 . .
H25D C25A H25F 109.5 . .
H25E C25A H25F 109.5 . .
C27 C28A H28D 109.5 . .
C27 C28A H28E 109.5 . .
C27 C28A H28F 109.5 . .
H28D C28A H28E 109.5 . .
H28D C28A H28F 109.5 . .
H28E C28A H28F 109.5 . .
C27 C29A H29D 109.5 . .
C27 C29A H29E 109.5 . .
C27 C29A H29F 109.5 . .
H29D C29A H29E 109.5 . .
H29D C29A H29F 109.5 . .
H29E C29A H29F 109.5 . .
C27 C30A H30D 109.5 . .
C27 C30A H30E 109.5 . .
C27 C30A H30F 109.5 . .
H30D C30A H30E 109.5 . .
H30D C30A H30F 109.5 . .
H30E C30A H30F 109.5 . .
O1 Dy1 Dy2 45.42(8) . .
O1 Dy1 O1N 131.13(11) . .
O1 Dy1 O3N 79.45(11) . .
O1 Dy1 O4N 78.32(10) . .
O1 Dy1 O6N 87.62(11) . .
O1 Dy1 O100 76.99(10) . .
O1 Dy1 O115 98.83(10) . 3_676
O1 Dy1 N1 105.22(11) . .
O1 Dy1 N2 82.02(11) . .
O1N Dy1 Dy2 158.50(8) . .
O1N Dy1 O3N 52.08(10) . .
O1N Dy1 O4N 119.43(10) . .
O1N Dy1 O6N 75.02(11) . .
O1N Dy1 N1 25.98(10) . .
O1N Dy1 N2 97.68(11) . .
O3N Dy1 Dy2 115.93(7) . .
O3N Dy1 O4N 121.96(10) . .
O3N Dy1 O6N 74.51(11) . .
O3N Dy1 N1 26.19(10) . .
O3N Dy1 N2 98.49(11) . .
O4 Dy1 Dy2 117.61(8) 3_676 .
O4 Dy1 O1 155.40(11) 3_676 .
O4 Dy1 O1N 71.74(11) 3_676 .
O4 Dy1 O3N 123.79(11) 3_676 .
O4 Dy1 O4N 81.66(11) 3_676 .
O4 Dy1 O6N 91.13(12) 3_676 .
O4 Dy1 O100 83.17(11) 3_676 .
O4 Dy1 O115 92.59(11) 3_676 3_676
O4 Dy1 N1 97.61(11) 3_676 .
O4 Dy1 N2 86.13(11) 3_676 .
O4N Dy1 Dy2 81.87(7) . .
O4N Dy1 N1 123.05(10) . .
O4N Dy1 N2 25.68(10) . .
O6N Dy1 Dy2 121.81(7) . .
O6N Dy1 O4N 51.73(10) . .
O6N Dy1 N1 71.44(11) . .
O6N Dy1 N2 26.05(10) . .
O100 Dy1 Dy2 34.69(7) . .
O100 Dy1 O1N 149.91(10) . .
O100 Dy1 O3N 149.65(10) . .
O100 Dy1 O4N 71.27(10) . .
O100 Dy1 O6N 122.90(10) . .
O100 Dy1 N1 165.66(10) . .
O100 Dy1 N2 96.89(11) . .
O115 Dy1 Dy2 77.64(7) 3_676 .
O115 Dy1 O1N 82.78(10) 3_676 .
O115 Dy1 O3N 82.99(10) 3_676 .
O115 Dy1 O4N 153.15(10) 3_676 .
O115 Dy1 O6N 155.07(10) 3_676 .
O115 Dy1 O100 82.03(10) 3_676 .
O115 Dy1 N1 83.63(10) 3_676 .
O115 Dy1 N2 178.42(11) 3_676 .
N1 Dy1 Dy2 140.41(8) . .
N1 Dy1 N2 97.44(11) . .
N2 Dy1 Dy2 102.13(8) . .
O1 Dy2 P1 93.79(6) . .
O1 Dy2 N3 134.94(10) . .
O1 Dy2 C1 25.41(10) . .
O2 Dy2 P1 142.60(8) . .
O2 Dy2 O1 48.82(9) . .
O2 Dy2 O7N 123.92(10) . .
O2 Dy2 O8N 72.85(11) . .
O2 Dy2 O100 114.35(10) . .
O2 Dy2 O109 82.46(11) . .
O2 Dy2 O115 163.03(10) . .
O2 Dy2 N3 98.48(11) . .
O2 Dy2 C1 23.41(10) . .
O3 Dy2 P1 116.11(10) . .
O3 Dy2 O1 130.69(11) . .
O3 Dy2 O2 93.32(12) . .
O3 Dy2 O7N 72.44(12) . .
O3 Dy2 O8N 75.87(11) . .
O3 Dy2 O100 141.61(11) . .
O3 Dy2 O109 146.04(11) . .
O3 Dy2 O115 86.97(12) . .
O3 Dy2 N3 70.03(11) . .
O3 Dy2 C1 112.25(13) . .
O7N Dy2 P1 88.45(8) . .
O7N Dy2 O1 150.92(10) . .
O7N Dy2 O115 72.30(10) . .
O7N Dy2 N3 25.45(10) . .
O7N Dy2 C1 141.11(11) . .
O8N Dy2 P1 134.05(8) . .
O8N Dy2 O1 111.45(9) . .
O8N Dy2 O7N 51.16(10) . .
O8N Dy2 O115 123.43(10) . .
O8N Dy2 N3 25.91(10) . .
O8N Dy2 C1 91.35(11) . .
O100 Dy2 P1 29.12(7) . .
O100 Dy2 O1 65.94(9) . .
O100 Dy2 O7N 108.47(10) . .
O100 Dy2 O8N 135.91(10) . .
O100 Dy2 O109 67.63(10) . .
O100 Dy2 O115 58.75(9) . .
O100 Dy2 N3 126.80(10) . .
O100 Dy2 C1 91.12(11) . .
O109 Dy2 P1 84.48(7) . .
O109 Dy2 O1 69.34(10) . .
O109 Dy2 O7N 82.06(11) . .
O109 Dy2 O8N 70.68(10) . .
O109 Dy2 O115 106.53(9) . .
O109 Dy2 N3 77.27(10) . .
O109 Dy2 C1 74.74(11) . .
O115 Dy2 P1 29.89(7) . .
O115 Dy2 O1 120.10(9) . .
O115 Dy2 N3 97.56(11) . .
O115 Dy2 C1 144.15(11) . .
O129 Dy2 P1 82.03(7) 3_676 .
O129 Dy2 O1 67.47(10) 3_676 .
O129 Dy2 O2 81.99(11) 3_676 .
O129 Dy2 O3 78.40(11) 3_676 .
O129 Dy2 O7N 141.33(11) 3_676 .
O129 Dy2 O8N 142.51(10) 3_676 .
O129 Dy2 O100 79.72(9) 3_676 .
O129 Dy2 O109 133.52(10) 3_676 .
O129 Dy2 O115 81.46(10) 3_676 .
O129 Dy2 N3 148.42(10) 3_676 .
O129 Dy2 C1 73.77(11) 3_676 .
N3 Dy2 P1 112.54(9) . .
N3 Dy2 C1 117.10(12) . .
C1 Dy2 P1 119.20(9) . .
O100 P1 Dy2 50.04(10) . .
O100 P1 O115 103.71(16) . .
O100 P1 C1P 109.69(19) . .
O115 P1 Dy2 54.24(11) . .
O115 P1 C1P 109.35(19) . .
O129 P1 Dy2 135.30(12) . .
O129 P1 O100 113.14(17) . .
O129 P1 O115 112.45(17) . .
O129 P1 C1P 108.39(19) . .
C1P P1 Dy2 116.27(15) . .
Dy1 O1 Dy2 99.78(11) . .
C1 O1 Dy1 170.3(3) . .
C1 O1 Dy2 83.0(3) . .
N1 O1N Dy1 95.6(2) . .
C1 O2 Dy2 108.5(3) . .
C6 O3 Dy2 136.9(3) . .
N1 O3N Dy1 95.4(3) . .
C6 O4 Dy1 139.1(3) . 3_676
N2 O4N Dy1 96.2(2) . .
N2 O6N Dy1 96.6(2) . .
N3 O7N Dy2 95.2(3) . .
N3 O8N Dy2 96.8(2) . .
Dy1 O100 Dy2 111.58(11) . .
P1 O100 Dy1 131.89(15) . .
P1 O100 Dy2 100.84(14) . .
Dy2 O109 H10A 110.4 . .
Dy2 O109 H10B 109.8 . .
H10A O109 H10B 108.6 . .
Dy1 O115 Dy2 119.22(11) 3_676 .
P1 O115 Dy1 123.99(15) . 3_676
P1 O115 Dy2 95.87(14) . .
P1 O129 Dy2 142.66(18) . 3_676
O1N N1 Dy1 58.4(2) . .
O1N N1 O3N 116.6(4) . .
O2N N1 Dy1 174.8(3) . .
O2N N1 O1N 121.3(4) . .
O2N N1 O3N 122.1(4) . .
O3N N1 Dy1 58.4(2) . .
O4N N2 Dy1 58.1(2) . .
O4N N2 O6N 115.5(3) . .
O5N N2 Dy1 179.0(3) . .
O5N N2 O4N 122.8(4) . .
O5N N2 O6N 121.6(4) . .
O6N N2 Dy1 57.4(2) . .
O7N N3 Dy2 59.3(2) . .
O7N N3 O8N 116.0(4) . .
O8N N3 Dy2 57.3(2) . .
O9N N3 Dy2 171.9(3) . .
O9N N3 O7N 123.2(4) . .
O9N N3 O8N 120.9(4) . .
O1 C1 Dy2 71.6(2) . .
O1 C1 C2 120.0(4) . .
O2 C1 Dy2 48.1(2) . .
O2 C1 O1 119.7(4) . .
O2 C1 C2 120.3(4) . .
C2 C1 Dy2 168.3(3) . .
C2P C1P P1 108.4(3) . .
C2P C1P C3P 109.4(4) . .
C2P C1P C4P 110.2(4) . .
C3P C1P P1 110.8(3) . .
C4P C1P P1 108.8(3) . .
C4P C1P C3P 109.2(4) . .
C1 C2 C4 106.6(4) . .
C3 C2 C1 110.9(4) . .
C3 C2 C4 109.3(5) . .
C3 C2 C5 109.9(4) . .
C5 C2 C1 110.2(4) . .
C5 C2 C4 110.0(5) . .
C1P C2P H2PA 109.5 . .
C1P C2P H2PB 109.5 . .
C1P C2P H2PC 109.5 . .
H2PA C2P H2PB 109.5 . .
H2PA C2P H2PC 109.5 . .
H2PB C2P H2PC 109.5 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1P C3P H3PA 109.5 . .
C1P C3P H3PB 109.5 . .
C1P C3P H3PC 109.5 . .
H3PA C3P H3PB 109.5 . .
H3PA C3P H3PC 109.5 . .
H3PB C3P H3PC 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C1P C4P H4PA 109.5 . .
C1P C4P H4PB 109.5 . .
C1P C4P H4PC 109.5 . .
H4PA C4P H4PB 109.5 . .
H4PA C4P H4PC 109.5 . .
H4PB C4P H4PC 109.5 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O3 C6 C7 116.5(4) . .
O4 C6 O3 125.3(4) . .
O4 C6 C7 118.2(4) . .
C6 C7 C9 102.4(5) . .
C6 C7 C10A 99.7(8) . .
C8 C7 C6 111.3(6) . .
C8 C7 C9 106.4(6) . .
C10 C7 C6 113.3(5) . .
C10 C7 C8 116.6(7) . .
C10 C7 C9 105.2(7) . .
C8A C7 C6 115.2(15) . .
C8A C7 C10A 103.9(10) . .
C9A C7 C6 114.9(9) . .
C9A C7 C8A 114.5(11) . .
C9A C7 C10A 106.3(10) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10C 109.5 . .
C7 C10 H10D 109.5 . .
C7 C10 H10E 109.5 . .
H10C C10 H10D 109.5 . .
H10C C10 H10E 109.5 . .
H10D C10 H10E 109.5 . .
C7 C8A H8AA 109.5 . .
C7 C8A H8AB 109.5 . .
C7 C8A H8AC 109.5 . .
H8AA C8A H8AB 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
C7 C9A H9AA 109.5 . .
C7 C9A H9AB 109.5 . .
C7 C9A H9AC 109.5 . .
H9AA C9A H9AB 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
C7 C10A H10F 109.5 . .
C7 C10A H10G 109.5 . .
C7 C10A H10H 109.5 . .
H10F C10A H10G 109.5 . .
H10F C10A H10H 109.5 . .
H10G C10A H10H 109.5 . .
N7 C56 C57 179.5(12) . .
C56 C57 H57A 109.5 . .
C56 C57 H57B 109.5 . .
C56 C57 H57C 109.5 . .
H57A C57 H57B 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 1.902(3) .
Co1 O8 1.889(3) .
Co1 O9 1.890(3) .
Co1 O11 1.908(3) .
Co1 O17 1.848(3) .
Co1 N5 2.022(3) .
Co2 O10 1.896(3) .
Co2 O12 1.888(3) .
Co2 O13 1.899(3) .
Co2 O15 1.900(3) .
Co2 O17 1.856(3) .
Co2 N6 2.003(4) .
Co10 O5 1.890(3) .
Co10 O7 1.896(3) .
Co10 O14 1.906(3) .
Co10 O16 1.889(3) .
Co10 O17 1.843(3) .
Co10 N4 2.000(4) .
O5 C16 1.270(5) .
O6 C16 1.259(5) .
O7 C11 1.258(5) .
O8 C11 1.260(5) .
O9 C26 1.251(5) .
O10 C26 1.263(5) .
O11 C21 1.258(5) .
O12 C21 1.260(5) .
O13 C31 1.263(5) .
O14 C31 1.258(5) .
O15 C36 1.267(5) .
O16 C36 1.250(5) .
N4 C41 1.344(5) .
N4 C45 1.345(5) .
N5 C46 1.339(5) .
N5 C50 1.340(6) .
N6 C51 1.337(6) .
N6 C55 1.346(5) .
C11 C12 1.547(6) .
C12 C13 1.508(6) .
C12 C14 1.541(7) .
C12 C15 1.503(7) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.533(6) .
C17 C18 1.528(7) .
C17 C19 1.528(7) .
C17 C20 1.513(7) .
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 1.531(6) .
C22 C23 1.480(19) .
C22 C24 1.581(14) .
C22 C25 1.482(12) .
C22 C23A 1.54(2) .
C22 C24A 1.464(14) .
C22 C25A 1.611(14) .
C26 C27 1.537(6) .
C27 C28 1.464(12) .
C27 C29 1.543(11) .
C27 C30 1.490(11) .
C27 C28A 1.527(15) .
C27 C29A 1.505(14) .
C27 C30A 1.486(17) .
C31 C32 1.527(6) .
C32 C33 1.521(6) .
C32 C34 1.524(6) .
C32 C35 1.537(7) .
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 1.519(6) .
C37 C38 1.544(6) .
C37 C39 1.521(7) .
C37 C40 1.533(6) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 H41 0.9300 .
C41 C42 1.364(6) .
C42 H42 0.9300 .
C42 C43 1.372(6) .
C43 H43 0.9300 .
C43 C44 1.369(6) .
C44 H44 0.9300 .
C44 C45 1.385(6) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C46 C47 1.387(6) .
C47 H47 0.9300 .
C47 C48 1.361(7) .
C48 H48 0.9300 .
C48 C49 1.383(7) .
C49 H49 0.9300 .
C49 C50 1.380(6) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C51 C52 1.378(6) .
C52 H52 0.9300 .
C52 C53 1.362(6) .
C53 H53 0.9300 .
C53 C54 1.385(6) .
C54 H54 0.9300 .
C54 C55 1.374(6) .
C55 H55 0.9300 .
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 .
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 .
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 .
C28A H28D 0.9600 .
C28A H28E 0.9600 .
C28A H28F 0.9600 .
C29A H29D 0.9600 .
C29A H29E 0.9600 .
C29A H29F 0.9600 .
C30A H30D 0.9600 .
C30A H30E 0.9600 .
C30A H30F 0.9600 .
Dy1 Dy2 3.9656(3) .
Dy1 O1 2.297(3) .
Dy1 O1N 2.459(3) .
Dy1 O3N 2.459(3) .
Dy1 O4 2.254(3) 3_676
Dy1 O4N 2.480(3) .
Dy1 O6N 2.462(3) .
Dy1 O100 2.368(3) .
Dy1 O115 2.333(3) 3_676
Dy1 N1 2.873(4) .
Dy1 N2 2.903(4) .
Dy2 P1 3.1099(11) .
Dy2 O1 2.866(3) .
Dy2 O2 2.351(3) .
Dy2 O3 2.289(3) .
Dy2 O7N 2.527(3) .
Dy2 O8N 2.481(3) .
Dy2 O100 2.427(3) .
Dy2 O109 2.438(3) .
Dy2 O115 2.537(3) .
Dy2 O129 2.256(3) 3_676
Dy2 N3 2.927(4) .
Dy2 C1 2.997(5) .
P1 O100 1.541(3) .
P1 O115 1.558(3) .
P1 O129 1.504(3) .
P1 C1P 1.820(4) .
O1 C1 1.296(5) .
O1N N1 1.265(5) .
O2 C1 1.256(5) .
O2N N1 1.228(5) .
O3 C6 1.260(5) .
O3N N1 1.274(5) .
O4 Dy1 2.254(3) 3_676
O4 C6 1.246(5) .
O4N N2 1.265(5) .
O5N N2 1.213(4) .
O6N N2 1.283(5) .
O7N N3 1.263(5) .
O8N N3 1.288(5) .
O9N N3 1.218(5) .
O109 H10A 0.8675 .
O109 H10B 0.8670 .
O115 Dy1 2.333(3) 3_676
O129 Dy2 2.256(3) 3_676
C1 C2 1.523(6) .
C1P C2P 1.515(6) .
C1P C3P 1.524(6) .
C1P C4P 1.519(6) .
C2 C3 1.502(6) .
C2 C4 1.536(7) .
C2 C5 1.508(7) .
C2P H2PA 0.9600 .
C2P H2PB 0.9600 .
C2P H2PC 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C3P H3PA 0.9600 .
C3P H3PB 0.9600 .
C3P H3PC 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C4P H4PA 0.9600 .
C4P H4PB 0.9600 .
C4P H4PC 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.525(6) .
C7 C8 1.480(10) .
C7 C9 1.596(11) .
C7 C10 1.479(10) .
C7 C8A 1.516(16) .
C7 C9A 1.466(15) .
C7 C10A 1.623(15) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10C 0.9600 .
C10 H10D 0.9600 .
C10 H10E 0.9600 .
C8A H8AA 0.9600 .
C8A H8AB 0.9600 .
C8A H8AC 0.9600 .
C9A H9AA 0.9600 .
C9A H9AB 0.9600 .
C9A H9AC 0.9600 .
C10A H10F 0.9600 .
C10A H10G 0.9600 .
C10A H10H 0.9600 .
N7 C56 1.118(13) .
C56 C57 1.434(13) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
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_4
Co1 O6 C16 O5 -20.2(7) . .
Co1 O6 C16 C17 160.6(3) . .
Co1 O8 C11 O7 -19.4(6) . .
Co1 O8 C11 C12 157.1(3) . .
Co1 O9 C26 O10 -6.3(6) . .
Co1 O9 C26 C27 174.8(3) . .
Co1 O11 C21 O12 -26.5(7) . .
Co1 O11 C21 C22 155.1(3) . .
Co1 N5 C46 C47 171.3(4) . .
Co1 N5 C50 C49 -173.2(4) . .
Co2 O10 C26 O9 -30.5(6) . .
Co2 O10 C26 C27 148.3(3) . .
Co2 O12 C21 O11 -9.4(7) . .
Co2 O12 C21 C22 168.9(3) . .
Co2 O13 C31 O14 -6.4(6) . .
Co2 O13 C31 C32 176.0(3) . .
Co2 O15 C36 O16 -27.4(6) . .
Co2 O15 C36 C37 151.3(3) . .
Co2 N6 C51 C52 177.5(4) . .
Co2 N6 C55 C54 -175.3(4) . .
Co10 O5 C16 O6 -11.1(7) . .
Co10 O5 C16 C17 168.1(3) . .
Co10 O7 C11 O8 -15.4(6) . .
Co10 O7 C11 C12 168.2(3) . .
Co10 O14 C31 O13 -29.4(6) . .
Co10 O14 C31 C32 148.3(3) . .
Co10 O16 C36 O15 -13.2(6) . .
Co10 O16 C36 C37 168.1(3) . .
Co10 N4 C41 C42 170.1(3) . .
Co10 N4 C45 C44 -169.7(3) . .
O5 Co10 O7 C11 100.4(4) . .
O5 Co10 O17 Co1 -58.07(18) . .
O5 Co10 O17 Co2 127.64(18) . .
O5 C16 C17 C18 -130.0(5) . .
O5 C16 C17 C19 111.7(5) . .
O5 C16 C17 C20 -8.7(6) . .
O6 Co1 O8 C11 -46.0(3) . .
O6 Co1 O9 C26 140.3(3) . .
O6 Co1 O17 Co2 -145.61(18) . .
O6 Co1 O17 Co10 40.10(19) . .
O6 C16 C17 C18 49.3(6) . .
O6 C16 C17 C19 -69.0(5) . .
O6 C16 C17 C20 170.6(4) . .
O7 Co10 O5 C16 -53.0(4) . .
O7 Co10 O16 C36 147.4(3) . .
O7 Co10 O17 Co1 32.80(19) . .
O7 Co10 O17 Co2 -141.49(17) . .
O7 C11 C12 C13 -143.6(4) . .
O7 C11 C12 C14 99.5(5) . .
O7 C11 C12 C15 -19.4(6) . .
O8 Co1 O17 Co2 122.18(18) . .
O8 Co1 O17 Co10 -52.12(19) . .
O8 C11 C12 C13 39.5(6) . .
O8 C11 C12 C14 -77.3(5) . .
O8 C11 C12 C15 163.8(4) . .
O9 Co1 O17 Co2 -59.17(19) . .
O9 Co1 O17 Co10 126.54(18) . .
O9 C26 C27 C28 -135.6(8) . .
O9 C26 C27 C29 104.1(7) . .
O9 C26 C27 C30 -12.3(9) . .
O9 C26 C27 C28A -75.6(9) . .
O9 C26 C27 C29A 169.5(10) . .
O9 C26 C27 C30A 44.0(12) . .
O10 Co2 O12 C21 -49.2(4) . .
O10 Co2 O13 C31 139.6(3) . .
O10 Co2 O17 Co1 38.80(19) . .
O10 Co2 O17 Co10 -146.89(17) . .
O10 C26 C27 C28 45.4(9) . .
O10 C26 C27 C29 -74.9(8) . .
O10 C26 C27 C30 168.7(7) . .
O10 C26 C27 C28A 105.4(9) . .
O10 C26 C27 C29A -9.5(11) . .
O10 C26 C27 C30A -135.0(11) . .
O11 Co1 O8 C11 144.5(3) . .
O11 Co1 O9 C26 -50.2(4) . .
O11 Co1 O17 Co2 35.01(19) . .
O11 Co1 O17 Co10 -139.28(17) . .
O11 C21 C22 C23 170.5(10) . .
O11 C21 C22 C24 -71.3(8) . .
O11 C21 C22 C25 43.3(10) . .
O11 C21 C22 C23A -168.9(10) . .
O11 C21 C22 C24A -41.3(12) . .
O11 C21 C22 C25A 76.8(9) . .
O12 Co2 O10 C26 105.7(4) . .
O12 Co2 O17 Co1 -55.16(19) . .
O12 Co2 O17 Co10 119.14(18) . .
O12 C21 C22 C23 -8.1(11) . .
O12 C21 C22 C24 110.1(8) . .
O12 C21 C22 C25 -135.2(10) . .
O12 C21 C22 C23A 12.6(11) . .
O12 C21 C22 C24A 140.2(11) . .
O12 C21 C22 C25A -101.8(9) . .
O13 Co2 O10 C26 -80.0(4) . .
O13 Co2 O17 Co1 125.19(18) . .
O13 Co2 O17 Co10 -60.51(18) . .
O13 C31 C32 C33 -15.3(6) . .
O13 C31 C32 C34 -137.6(4) . .
O13 C31 C32 C35 104.4(5) . .
O14 Co10 O5 C16 138.2(4) . .
O14 Co10 O7 C11 178.2(6) . .
O14 Co10 O16 C36 -44.0(3) . .
O14 Co10 O17 Co1 -145.44(18) . .
O14 Co10 O17 Co2 40.27(18) . .
O14 C31 C32 C33 166.9(4) . .
O14 C31 C32 C34 44.5(5) . .
O14 C31 C32 C35 -73.5(5) . .
O15 Co2 O10 C26 -162.7(6) . .
O15 Co2 O12 C21 142.4(4) . .
O15 Co2 O13 C31 -51.9(3) . .
O15 Co2 O17 Co1 -142.32(17) . .
O15 Co2 O17 Co10 31.98(19) . .
O15 C36 C37 C38 43.9(5) . .
O15 C36 C37 C39 165.3(4) . .
O15 C36 C37 C40 -73.4(5) . .
O16 Co10 O7 C11 -85.1(4) . .
O16 Co10 O17 Co1 120.20(18) . .
O16 Co10 O17 Co2 -54.09(18) . .
O16 C36 C37 C38 -137.3(4) . .
O16 C36 C37 C39 -15.8(6) . .
O16 C36 C37 C40 105.4(5) . .
O17 Co1 O8 C11 48.7(3) . .
O17 Co1 O9 C26 45.9(4) . .
O17 Co2 O10 C26 11.7(4) . .
O17 Co2 O12 C21 45.6(4) . .
O17 Co2 O13 C31 45.2(3) . .
O17 Co10 O5 C16 44.9(4) . .
O17 Co10 O7 C11 7.1(4) . .
O17 Co10 O16 C36 49.6(3) . .
N4 Co10 O5 C16 -137.8(4) . .
N4 Co10 O7 C11 -171.1(4) . .
N4 Co10 O16 C36 -127.6(3) . .
N4 C41 C42 C43 0.6(7) . .
N5 Co1 O8 C11 -132.3(3) . .
N5 Co1 O9 C26 -133.0(4) . .
N5 C46 C47 C48 3.8(8) . .
N6 Co2 O10 C26 -167.9(4) . .
N6 Co2 O12 C21 -132.5(4) . .
N6 Co2 O13 C31 -136.8(3) . .
N6 C51 C52 C53 -1.7(8) . .
C41 N4 C45 C44 2.7(6) . .
C41 C42 C43 C44 0.9(7) . .
C42 C43 C44 C45 -0.5(7) . .
C43 C44 C45 N4 -1.3(7) . .
C45 N4 C41 C42 -2.3(6) . .
C46 N5 C50 C49 2.0(7) . .
C46 C47 C48 C49 -1.8(8) . .
C47 C48 C49 C50 0.0(8) . .
C48 C49 C50 N5 -0.1(8) . .
C50 N5 C46 C47 -3.9(7) . .
C51 N6 C55 C54 3.1(7) . .
C51 C52 C53 C54 2.1(8) . .
C52 C53 C54 C55 -0.1(8) . .
C53 C54 C55 N6 -2.6(8) . .
C55 N6 C51 C52 -1.0(7) . .
Dy1 O1N N1 O2N 174.0(4) . .
Dy1 O1N N1 O3N -6.1(4) . .
Dy1 O3N N1 O1N 6.1(4) . .
Dy1 O3N N1 O2N -174.0(4) . .
Dy1 O4 C6 O3 32.2(8) 3_676 .
Dy1 O4 C6 C7 -147.4(4) 3_676 .
Dy1 O4N N2 O5N 179.8(4) . .
Dy1 O4N N2 O6N -0.6(4) . .
Dy1 O6N N2 O4N 0.6(4) . .
Dy1 O6N N2 O5N -179.8(4) . .
Dy2 P1 O100 Dy1 -132.5(2) . .
Dy2 P1 O115 Dy1 131.4(2) . 3_676
Dy2 P1 O129 Dy2 0.1(4) . 3_676
Dy2 P1 C1P C2P 132.1(3) . .
Dy2 P1 C1P C3P 12.1(4) . .
Dy2 P1 C1P C4P -108.0(3) . .
Dy2 O1 C1 O2 -0.5(4) . .
Dy2 O1 C1 C2 -179.0(4) . .
Dy2 O2 C1 O1 0.7(5) . .
Dy2 O2 C1 C2 179.2(3) . .
Dy2 O3 C6 O4 20.4(8) . .
Dy2 O3 C6 C7 -159.9(4) . .
Dy2 O7N N3 O8N -9.1(4) . .
Dy2 O7N N3 O9N 170.9(4) . .
Dy2 O8N N3 O7N 9.3(4) . .
Dy2 O8N N3 O9N -170.7(4) . .
Dy2 C1 C2 C3 153.1(13) . .
Dy2 C1 C2 C4 -88.0(15) . .
Dy2 C1 C2 C5 31.3(17) . .
O1 C1 C2 C3 -31.5(6) . .
O1 C1 C2 C4 87.3(5) . .
O1 C1 C2 C5 -153.4(5) . .
O2 C1 C2 C3 150.0(4) . .
O2 C1 C2 C4 -91.2(5) . .
O2 C1 C2 C5 28.1(6) . .
O3 C6 C7 C8 -51.0(7) . .
O3 C6 C7 C9 62.4(7) . .
O3 C6 C7 C10 175.2(7) . .
O3 C6 C7 C8A -26.4(12) . .
O3 C6 C7 C9A 109.9(12) . .
O3 C6 C7 C10A -136.9(11) . .
O4 C6 C7 C8 128.7(6) . .
O4 C6 C7 C9 -117.9(6) . .
O4 C6 C7 C10 -5.1(8) . .
O4 C6 C7 C8A 153.3(11) . .
O4 C6 C7 C9A -70.3(13) . .
O4 C6 C7 C10A 42.8(11) . .
O100 P1 O115 Dy1 123.41(19) . 3_676
O100 P1 O115 Dy2 -7.98(15) . .
O100 P1 O129 Dy2 -55.8(3) . 3_676
O100 P1 C1P C2P -173.7(3) . .
O100 P1 C1P C3P 66.4(4) . .
O100 P1 C1P C4P -53.8(4) . .
O115 P1 O100 Dy1 -124.0(2) . .
O115 P1 O100 Dy2 8.45(16) . .
O115 P1 O129 Dy2 61.3(3) . 3_676
O115 P1 C1P C2P 73.2(4) . .
O115 P1 C1P C3P -46.8(4) . .
O115 P1 C1P C4P -166.9(3) . .
O129 P1 O100 Dy1 -1.9(3) . .
O129 P1 O100 Dy2 130.57(15) . .
O129 P1 O115 Dy1 0.8(3) . 3_676
O129 P1 O115 Dy2 -130.56(15) . .
O129 P1 C1P C2P -49.7(4) . .
O129 P1 C1P C3P -169.7(3) . .
O129 P1 C1P C4P 70.2(4) . .
C1P P1 O100 Dy1 119.3(2) . .
C1P P1 O100 Dy2 -108.27(18) . .
C1P P1 O115 Dy1 -119.6(2) . 3_676
C1P P1 O115 Dy2 108.98(18) . .
C1P P1 O129 Dy2 -177.7(3) . 3_676
