#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:51:07 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223873 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/00/7700065.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_7700065
loop_
_publ_author_name
'Wang, Hui-Sheng'
'Yin, Cheng-Ling'
'Hu, Zhao-Bo'
'Chen, Yong'
'Pan, Zhi-Quan'
'Song, You'
'Zhang, Yi-Quan'
'Zhang, Zai-Chao'
_publ_section_title
;
 Regulation of magnetic relaxation behavior by replacing 3d transition
 metal ions in [M₂Dy₂] complexes containing two
 different organic chelating ligands.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10011
_journal_page_last               10022
_journal_paper_doi               10.1039/c9dt00774a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C60 H74 Co2 Dy2 N8 O18, 2(N O3), 5CH3OH, 2.5H2O'
_chemical_formula_sum            'C65 H99 Co2 Dy2 N10 O31.5'
_chemical_formula_weight         1967.40
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-06 deposited with the CCDC.    2019-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                85.486(2)
_cell_angle_beta                 87.309(2)
_cell_angle_gamma                82.961(2)
_cell_formula_units_Z            1
_cell_length_a                   9.8087(4)
_cell_length_b                   13.3481(6)
_cell_length_c                   14.8569(7)
_cell_measurement_reflns_used    7993
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.1746
_cell_measurement_theta_min      3.0547
_cell_volume                     1923.16(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28458
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.084
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.436
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_description       plate
_exptl_crystal_F_000             997
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.823
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     456
_refine_ls_number_reflns         6755
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0018P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0564
_refine_ls_wR_factor_ref         0.0598
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5294
_reflns_number_total             6755
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00774a2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
'Adding full bibliography for 7700062--7700065.cif.'
_cod_original_formula_sum        'C65 H99 Co2 Dy2 N10 O31.50'
_cod_database_code               7700065
_shelx_shelxl_version_number     2014/7
_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.
;
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
C1 C 0.1131(4) 0.8235(3) 0.3961(3) 0.0218(12) Uani 1 1 d . . . . .
C2 C 0.1490(5) 0.8170(3) 0.4864(3) 0.0229(12) Uani 1 1 d . . . . .
C3 C 0.1838(5) 0.8990(4) 0.5265(4) 0.0314(13) Uani 1 1 d . . . . .
H3 H 0.2123 0.8918 0.5871 0.038 Uiso 1 1 calc R U . . .
C4 C 0.1770(5) 0.9934(4) 0.4777(4) 0.0361(14) Uani 1 1 d . . . . .
H4 H 0.2009 1.0504 0.5053 0.043 Uiso 1 1 calc R U . . .
C5 C 0.1365(5) 1.0039(4) 0.3909(4) 0.0353(14) Uani 1 1 d . . . . .
H5 H 0.1286 1.0687 0.3589 0.042 Uiso 1 1 calc R U . . .
C6 C 0.1065(5) 0.9203(3) 0.3487(3) 0.0277(13) Uani 1 1 d . . . . .
C7 C 0.0501(5) 0.9330(4) 0.2602(4) 0.0318(13) Uani 1 1 d . . . . .
H7 H 0.0038 0.9973 0.2408 0.038 Uiso 1 1 calc R U . . .
C8 C -0.0339(5) 0.8659(4) 0.1317(3) 0.0350(14) Uani 1 1 d . . . . .
H8A H 0.0180 0.8571 0.0735 0.042 Uiso 1 1 calc R U . . .
H8B H -0.0947 0.9309 0.1272 0.042 Uiso 1 1 calc R U . . .
C9 C -0.1164(5) 0.7774(4) 0.1573(4) 0.0351(14) Uani 1 1 d . . . . .
H9A H -0.1850 0.7952 0.2062 0.042 Uiso 1 1 calc R U . . .
H9B H -0.1658 0.7621 0.1044 0.042 Uiso 1 1 calc R U . . .
C10 C 0.0245(5) 0.6180(4) 0.1175(3) 0.0338(13) Uani 1 1 d . . . . .
H10A H -0.0547 0.6075 0.0818 0.041 Uiso 1 1 calc R U . . .
H10B H 0.0635 0.5515 0.1455 0.041 Uiso 1 1 calc R U . . .
C11 C 0.1331(5) 0.6643(4) 0.0562(3) 0.0386(14) Uani 1 1 d . . . . .
H11A H 0.1933 0.6106 0.0264 0.046 Uiso 1 1 calc R U . . .
H11B H 0.0887 0.7120 0.0089 0.046 Uiso 1 1 calc R U . . .
C12 C 0.3151(5) 0.7630(4) 0.0770(3) 0.0347(13) Uani 1 1 d . U . . .
H12 H 0.3339 0.7584 0.0140 0.042 Uiso 1 1 calc R U . . .
C13 C 0.3962(5) 0.8172(4) 0.2175(4) 0.0287(13) Uani 1 1 d . . . . .
C14 C 0.4003(5) 0.8191(4) 0.1236(4) 0.0339(13) Uani 1 1 d . U . . .
C15 C 0.4934(5) 0.8775(4) 0.0719(4) 0.0418(16) Uani 1 1 d . . . . .
H15 H 0.4990 0.8772 0.0079 0.050 Uiso 1 1 calc R U . . .
C16 C 0.5742(6) 0.9335(4) 0.1148(5) 0.0477(17) Uani 1 1 d . . . . .
H16 H 0.6322 0.9750 0.0801 0.057 Uiso 1 1 calc R U . . .
C17 C 0.5727(5) 0.9308(4) 0.2079(4) 0.0409(15) Uani 1 1 d . . . . .
H17 H 0.6315 0.9688 0.2367 0.049 Uiso 1 1 calc R U . . .
C18 C 0.4860(5) 0.8730(4) 0.2594(4) 0.0312(13) Uani 1 1 d . . . . .
C19 C 0.1370(5) 0.7175(4) 0.6274(3) 0.0327(13) Uani 1 1 d . . . . .
H19A H 0.2285 0.7198 0.6503 0.049 Uiso 1 1 calc R U . . .
H19B H 0.1023 0.6542 0.6506 0.049 Uiso 1 1 calc R U . . .
H19C H 0.0743 0.7751 0.6473 0.049 Uiso 1 1 calc R U . . .
C20 C 0.5621(6) 0.9200(5) 0.3962(4) 0.0605(19) Uani 1 1 d . . . . .
H20A H 0.6588 0.8943 0.3844 0.091 Uiso 1 1 calc R U . . .
H20B H 0.5404 0.9128 0.4612 0.091 Uiso 1 1 calc R U . . .
H20C H 0.5461 0.9916 0.3746 0.091 Uiso 1 1 calc R U . . .
C21 C 0.3412(4) 0.4332(3) 0.2836(3) 0.0219(11) Uani 1 1 d . . . . .
C22 C 0.4312(5) 0.3557(4) 0.2521(3) 0.0293(13) Uani 1 1 d . . . . .
H22 H 0.4905 0.3675 0.2009 0.035 Uiso 1 1 calc R U . . .
C23 C 0.4346(5) 0.2601(4) 0.2958(4) 0.0371(14) Uani 1 1 d . . . . .
H23 H 0.4979 0.2058 0.2763 0.045 Uiso 1 1 calc R U . . .
C24 C 0.3441(5) 0.2450(4) 0.3686(3) 0.0294(13) Uani 1 1 d . . . . .
H24 H 0.3413 0.1793 0.3978 0.035 Uiso 1 1 calc R U . . .
C25 C 0.2586(4) 0.3260(3) 0.3982(3) 0.0195(11) Uani 1 1 d . . . . .
C26 C 0.3204(4) 0.5376(3) 0.2366(3) 0.0206(11) Uani 1 1 d . . . . .
H26A H 0.4013 0.5733 0.2442 0.025 Uiso 1 1 calc R U . . .
H26B H 0.3097 0.5330 0.1712 0.025 Uiso 1 1 calc R U . . .
C27 C 0.1538(4) 0.3199(3) 0.4765(3) 0.0207(11) Uani 1 1 d . . . . .
H27A H 0.1057 0.2594 0.4732 0.025 Uiso 1 1 calc R U . . .
H27B H 0.2016 0.3129 0.5343 0.025 Uiso 1 1 calc R U . . .
C28 C 0.3065(5) 0.4373(5) 0.7071(4) 0.0473(17) Uani 1 1 d . . . . .
H28A H 0.3309 0.3638 0.7146 0.071 Uiso 1 1 calc R U . . .
H28B H 0.2699 0.4623 0.7647 0.071 Uiso 1 1 calc R U . . .
H28C H 0.3885 0.4696 0.6876 0.071 Uiso 1 1 calc R U . . .
C29 C 0.1994(5) 0.4621(3) 0.6369(3) 0.0217(11) Uani 1 1 d . . . . .
C30 C 0.4478(5) 0.6457(4) 0.4834(3) 0.0280(12) Uani 1 1 d . . . . .
H30A H 0.4357 0.6013 0.5382 0.042 Uiso 1 1 calc R U . . .
H30B H 0.4269 0.7165 0.4977 0.042 Uiso 1 1 calc R U . . .
H30C H 0.5430 0.6337 0.4601 0.042 Uiso 1 1 calc R U . . .
Co1 Co 0.14682(6) 0.72843(5) 0.23386(4) 0.02256(17) Uani 1 1 d . . . . .
Dy1 Dy 0.12416(2) 0.56541(2) 0.42808(2) 0.01613(7) Uani 1 1 d . . . . .
N1 N 0.0594(4) 0.8621(3) 0.2065(3) 0.0287(10) Uani 1 1 d . . . . .
N2 N -0.0206(4) 0.6877(3) 0.1880(3) 0.0281(10) Uani 1 1 d . . . . .
H2A H -0.0677 0.6493 0.2384 0.034 Uiso 1 1 d R U . . .
N3 N 0.2137(4) 0.7176(3) 0.1132(3) 0.0298(10) Uani 1 1 d . . . . .
N4 N 0.2591(4) 0.4193(3) 0.3577(2) 0.0184(9) Uani 1 1 d . . . . .
N5 N 0.2211(5) 0.8507(3) 0.8411(3) 0.0425(13) Uani 1 1 d D . . . .
O1 O 0.0822(3) 0.7414(2) 0.3589(2) 0.0195(7) Uani 1 1 d . . . . .
O2 O 0.3148(3) 0.7642(2) 0.2706(2) 0.0251(8) Uani 1 1 d . . . . .
O3 O 0.1455(3) 0.7222(2) 0.5301(2) 0.0218(8) Uani 1 1 d . . . . .
O4 O 0.4780(4) 0.8646(3) 0.3507(3) 0.0396(10) Uani 1 1 d . . . . .
O5 O 0.2011(3) 0.5919(2) 0.27444(19) 0.0183(7) Uani 1 1 d . . . . .
O6 O 0.0581(3) 0.40623(19) 0.47435(19) 0.0151(7) Uani 1 1 d . . . . .
O7 O 0.2347(3) 0.5069(2) 0.5636(2) 0.0194(7) Uani 1 1 d . . . . .
O8 O -0.0797(3) 0.5625(2) 0.3419(2) 0.0230(8) Uani 1 1 d . . . . .
O9 O 0.3566(3) 0.6246(2) 0.4165(2) 0.0227(8) Uani 1 1 d . . . . .
H9 H 0.3514 0.6750 0.3775 0.027 Uiso 1 1 d R U . . .
O11 O 0.1338(5) 0.8757(3) 0.9025(3) 0.0748(15) Uani 1 1 d . . . . .
O12 O 0.2082(5) 0.8883(3) 0.7652(3) 0.0648(13) Uani 1 1 d . . . . .
O10A O 0.3367(18) 0.805(2) 0.8614(7) 0.064(7) Uani 0.69(6) 1 d . . P A 1
O10B O 0.283(6) 0.762(2) 0.8479(19) 0.052(10) Uani 0.31(6) 1 d D U P A 2
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'
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
O1 C1 C2 120.1(4) . .
O1 C1 C6 123.0(5) . .
C2 C1 C6 116.9(5) . .
C3 C2 O3 124.1(4) . .
C3 C2 C1 121.8(4) . .
O3 C2 C1 114.1(4) . .
C2 C3 C4 119.7(5) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 120.2(5) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 120.3(5) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C5 C6 C1 120.9(5) . .
C5 C6 C7 120.2(4) . .
C1 C6 C7 118.4(5) . .
N1 C7 C6 123.2(4) . .
N1 C7 H7 118.4 . .
C6 C7 H7 118.4 . .
N1 C8 C9 103.3(4) . .
N1 C8 H8A 111.1 . .
C9 C8 H8A 111.1 . .
N1 C8 H8B 111.1 . .
C9 C8 H8B 111.1 . .
H8A C8 H8B 109.1 . .
N2 C9 C8 108.9(4) . .
N2 C9 H9A 109.9 . .
C8 C9 H9A 109.9 . .
N2 C9 H9B 109.9 . .
C8 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
N2 C10 C11 108.3(4) . .
N2 C10 H10A 110.0 . .
C11 C10 H10A 110.0 . .
N2 C10 H10B 110.0 . .
C11 C10 H10B 110.0 . .
H10A C10 H10B 108.4 . .
N3 C11 C10 107.3(4) . .
N3 C11 H11A 110.3 . .
C10 C11 H11A 110.3 . .
N3 C11 H11B 110.3 . .
C10 C11 H11B 110.3 . .
H11A C11 H11B 108.5 . .
N3 C12 C14 125.6(5) . .
N3 C12 H12 117.2 . .
C14 C12 H12 117.2 . .
O2 C13 C14 123.8(5) . .
O2 C13 C18 117.6(5) . .
C14 C13 C18 118.6(4) . .
C13 C14 C12 121.7(4) . .
C13 C14 C15 119.7(5) . .
C12 C14 C15 118.6(5) . .
C16 C15 C14 119.8(6) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C15 C16 C17 121.0(5) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C16 C17 C18 120.3(6) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
O4 C18 C17 124.7(5) . .
O4 C18 C13 114.7(4) . .
C17 C18 C13 120.6(5) . .
O3 C19 H19A 109.5 . .
O3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O4 C20 H20A 109.5 . .
O4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N4 C21 C22 121.7(4) . .
N4 C21 C26 114.7(4) . .
C22 C21 C26 123.5(4) . .
C21 C22 C23 119.1(4) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C22 C23 C24 118.9(5) . .
C22 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
C25 C24 C23 119.3(5) . .
C25 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
N4 C25 C24 121.7(4) . .
N4 C25 C27 113.6(4) . .
C24 C25 C27 124.7(4) . .
O5 C26 C21 109.0(3) . .
O5 C26 H26A 109.9 . .
C21 C26 H26A 109.9 . .
O5 C26 H26B 109.9 . .
C21 C26 H26B 109.9 . .
H26A C26 H26B 108.3 . .
O6 C27 C25 110.9(3) . .
O6 C27 H27A 109.5 . .
C25 C27 H27A 109.5 . .
O6 C27 H27B 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 108.1 . .
C29 C28 H28A 109.5 . .
C29 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C29 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O7 C29 O8 125.8(4) . 2_566
O7 C29 C28 117.3(4) . .
O8 C29 C28 116.9(4) 2_566 .
O9 C30 H30A 109.5 . .
O9 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
O9 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O2 Co1 N3 92.45(16) . .
O2 Co1 O5 89.94(13) . .
N3 Co1 O5 96.43(15) . .
O2 Co1 N1 97.45(16) . .
N3 Co1 N1 91.92(17) . .
O5 Co1 N1 168.62(14) . .
O2 Co1 O1 86.04(13) . .
N3 Co1 O1 178.45(16) . .
O5 Co1 O1 83.93(12) . .
N1 Co1 O1 87.94(15) . .
O2 Co1 N2 175.91(15) . .
N3 Co1 N2 83.65(17) . .
O5 Co1 N2 89.28(15) . .
N1 Co1 N2 83.95(17) . .
O1 Co1 N2 97.87(15) . .
O6 Dy1 O6 73.96(11) 2_566 .
O6 Dy1 O7 81.59(10) 2_566 .
O6 Dy1 O7 71.94(10) . .
O6 Dy1 O5 143.80(10) 2_566 .
O6 Dy1 O5 117.08(10) . .
O7 Dy1 O5 134.19(10) . .
O6 Dy1 O8 73.64(10) 2_566 .
O6 Dy1 O8 77.73(10) . .
O7 Dy1 O8 145.08(9) . .
O5 Dy1 O8 75.51(10) . .
O6 Dy1 O1 91.04(9) 2_566 .
O6 Dy1 O1 153.37(9) . .
O7 Dy1 O1 128.48(10) . .
O5 Dy1 O1 63.72(9) . .
O8 Dy1 O1 76.96(10) . .
O6 Dy1 N4 138.29(10) 2_566 .
O6 Dy1 N4 64.37(10) . .
O7 Dy1 N4 87.14(11) . .
O5 Dy1 N4 62.78(11) . .
O8 Dy1 N4 95.15(11) . .
O1 Dy1 N4 126.18(11) . .
O6 Dy1 O9 132.82(10) 2_566 .
O6 Dy1 O9 130.33(10) . .
O7 Dy1 O9 72.89(10) . .
O5 Dy1 O9 68.64(10) . .
O8 Dy1 O9 141.86(9) . .
O1 Dy1 O9 75.92(10) . .
N4 Dy1 O9 80.00(11) . .
O6 Dy1 O3 67.60(9) 2_566 .
O6 Dy1 O3 128.38(9) . .
O7 Dy1 O3 69.56(9) . .
O5 Dy1 O3 114.33(9) . .
O8 Dy1 O3 120.28(10) . .
O1 Dy1 O3 60.68(9) . .
N4 Dy1 O3 143.33(10) . .
O9 Dy1 O3 66.51(9) . .
C7 N1 C8 121.2(4) . .
C7 N1 Co1 124.4(4) . .
C8 N1 Co1 111.6(3) . .
C10 N2 C9 114.5(4) . .
C10 N2 Co1 106.3(3) . .
C9 N2 Co1 111.0(3) . .
C10 N2 H2A 108.3 . .
C9 N2 H2A 108.2 . .
Co1 N2 H2A 108.2 . .
C12 N3 C11 119.5(4) . .
C12 N3 Co1 124.2(4) . .
C11 N3 Co1 115.9(3) . .
C25 N4 C21 119.2(4) . .
C25 N4 Dy1 119.4(3) . .
C21 N4 Dy1 121.2(3) . .
O12 N5 O11 120.3(5) . .
O12 N5 O10A 117.9(7) . .
O11 N5 O10A 119.9(7) . .
O12 N5 O10B 115.5(13) . .
O11 N5 O10B 117.5(12) . .
C1 O1 Co1 115.5(3) . .
C1 O1 Dy1 125.0(3) . .
Co1 O1 Dy1 103.23(12) . .
C13 O2 Co1 123.4(3) . .
C2 O3 C19 116.4(4) . .
C2 O3 Dy1 117.9(3) . .
C19 O3 Dy1 125.3(3) . .
C18 O4 C20 117.4(4) . .
C26 O5 Co1 120.5(2) . .
C26 O5 Dy1 123.5(2) . .
Co1 O5 Dy1 108.81(13) . .
C27 O6 Dy1 125.7(2) . 2_566
C27 O6 Dy1 120.8(2) . .
Dy1 O6 Dy1 106.04(11) 2_566 .
C29 O7 Dy1 135.0(3) . .
C29 O8 Dy1 133.1(3) 2_566 .
C30 O9 Dy1 132.3(3) . .
C30 O9 H9 106.5 . .
Dy1 O9 H9 106.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.338(5) .
C1 C2 1.396(7) .
C1 C6 1.417(6) .
C2 C3 1.372(6) .
C2 O3 1.380(5) .
C3 C4 1.399(6) .
C3 H3 0.9500 .
C4 C5 1.359(7) .
C4 H4 0.9500 .
C5 C6 1.390(7) .
C5 H5 0.9500 .
C6 C7 1.440(7) .
C7 N1 1.278(6) .
C7 H7 0.9500 .
C8 N1 1.466(6) .
C8 C9 1.526(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 N2 1.485(6) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N2 1.473(6) .
C10 C11 1.526(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 N3 1.464(6) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 N3 1.301(6) .
C12 C14 1.424(7) .
C12 H12 0.9500 .
C13 O2 1.324(5) .
C13 C14 1.391(7) .
C13 C18 1.416(7) .
C14 C15 1.430(6) .
C15 C16 1.364(8) .
C15 H15 0.9500 .
C16 C17 1.379(8) .
C16 H16 0.9500 .
C17 C18 1.382(6) .
C17 H17 0.9500 .
C18 O4 1.353(6) .
C19 O3 1.440(5) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 O4 1.401(6) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N4 1.348(5) .
C21 C22 1.372(6) .
C21 C26 1.503(6) .
C22 C23 1.383(6) .
C22 H22 0.9500 .
C23 C24 1.384(6) .
C23 H23 0.9500 .
C24 C25 1.372(6) .
C24 H24 0.9500 .
C25 N4 1.340(5) .
C25 C27 1.520(6) .
C26 O5 1.416(5) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 O6 1.393(5) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.504(6) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 O7 1.256(5) .
C29 O8 1.276(5) 2_566
C30 O9 1.434(5) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
Co1 O2 1.886(3) .
Co1 N3 1.890(4) .
Co1 O5 1.894(3) .
Co1 N1 1.905(4) .
Co1 O1 1.949(3) .
Co1 N2 1.960(4) .
Dy1 O6 2.262(3) 2_566
Dy1 O6 2.339(3) .
Dy1 O7 2.365(3) .
Dy1 O5 2.384(3) .
Dy1 O8 2.430(3) .
Dy1 O1 2.483(3) .
Dy1 N4 2.491(4) .
Dy1 O9 2.497(3) .
Dy1 O3 2.713(3) .
N2 H2A 1.0000 .
N5 O12 1.204(5) .
N5 O11 1.257(5) .
N5 O10A 1.259(9) .
N5 O10B 1.264(9) .
O6 Dy1 2.262(3) 2_566
O8 C29 1.276(5) 2_566
O9 H9 0.8499 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O9 H9 O2 0.85 1.93 2.757(4) 164.0
N2 H2A O8 1.00 1.86 2.805(5) 156.4
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
O1 C1 C2 C3 178.8(4) . .
C6 C1 C2 C3 -3.5(7) . .
O1 C1 C2 O3 -1.4(6) . .
C6 C1 C2 O3 176.3(4) . .
O3 C2 C3 C4 -176.6(4) . .
C1 C2 C3 C4 3.2(7) . .
C2 C3 C4 C5 -0.1(7) . .
C3 C4 C5 C6 -2.5(8) . .
C4 C5 C6 C1 2.2(7) . .
C4 C5 C6 C7 173.6(5) . .
O1 C1 C6 C5 178.5(4) . .
C2 C1 C6 C5 0.8(7) . .
O1 C1 C6 C7 6.9(7) . .
C2 C1 C6 C7 -170.8(4) . .
C5 C6 C7 N1 157.6(5) . .
C1 C6 C7 N1 -30.7(7) . .
N1 C8 C9 N2 -45.2(5) . .
N2 C10 C11 N3 35.3(5) . .
O2 C13 C14 C12 0.1(8) . .
C18 C13 C14 C12 178.6(4) . .
O2 C13 C14 C15 -179.0(4) . .
C18 C13 C14 C15 -0.5(7) . .
N3 C12 C14 C13 10.5(8) . .
N3 C12 C14 C15 -170.4(5) . .
C13 C14 C15 C16 -2.2(8) . .
C12 C14 C15 C16 178.7(5) . .
C14 C15 C16 C17 3.4(8) . .
C15 C16 C17 C18 -1.8(8) . .
C16 C17 C18 O4 179.3(5) . .
C16 C17 C18 C13 -1.0(8) . .
O2 C13 C18 O4 0.4(6) . .
C14 C13 C18 O4 -178.2(4) . .
O2 C13 C18 C17 -179.3(4) . .
C14 C13 C18 C17 2.1(7) . .
N4 C21 C22 C23 2.1(8) . .
C26 C21 C22 C23 -174.5(5) . .
C21 C22 C23 C24 1.8(8) . .
C22 C23 C24 C25 -3.2(8) . .
C23 C24 C25 N4 0.8(8) . .
C23 C24 C25 C27 179.5(5) . .
N4 C21 C26 O5 -9.8(5) . .
C22 C21 C26 O5 167.1(4) . .
N4 C25 C27 O6 15.4(5) . .
C24 C25 C27 O6 -163.3(4) . .
C6 C7 N1 C8 160.0(4) . .
C6 C7 N1 Co1 0.5(7) . .
C9 C8 N1 C7 -114.3(5) . .
C9 C8 N1 Co1 47.5(4) . .
C11 C10 N2 C9 76.8(5) . .
C11 C10 N2 Co1 -46.2(4) . .
C8 C9 N2 C10 -95.5(5) . .
C8 C9 N2 Co1 24.9(5) . .
C14 C12 N3 C11 178.8(5) . .
C14 C12 N3 Co1 6.7(7) . .
C10 C11 N3 C12 179.1(4) . .
C10 C11 N3 Co1 -8.1(5) . .
O2 Co1 N3 C12 -23.3(4) . .
O5 Co1 N3 C12 -113.5(4) . .
N1 Co1 N3 C12 74.3(4) . .
N2 Co1 N3 C12 158.0(4) . .
O2 Co1 N3 C11 164.4(3) . .
O5 Co1 N3 C11 74.2(3) . .
N1 Co1 N3 C11 -98.1(4) . .
N2 Co1 N3 C11 -14.4(4) . .
C24 C25 N4 C21 3.1(7) . .
C27 C25 N4 C21 -175.7(4) . .
C24 C25 N4 Dy1 -171.7(4) . .
C27 C25 N4 Dy1 9.5(5) . .
C22 C21 N4 C25 -4.6(7) . .
C26 C21 N4 C25 172.3(4) . .
C22 C21 N4 Dy1 170.1(4) . .
C26 C21 N4 Dy1 -12.9(5) . .
C2 C1 O1 Co1 -142.1(3) . .
C6 C1 O1 Co1 40.3(5) . .
C2 C1 O1 Dy1 -12.2(6) . .
C6 C1 O1 Dy1 170.2(3) . .
C14 C13 O2 Co1 -26.3(6) . .
C18 C13 O2 Co1 155.2(3) . .
N3 Co1 O2 C13 32.8(4) . .
O5 Co1 O2 C13 129.2(4) . .
N1 Co1 O2 C13 -59.5(4) . .
O1 Co1 O2 C13 -146.9(4) . .
C3 C2 O3 C19 19.3(6) . .
C1 C2 O3 C19 -160.5(4) . .
C3 C2 O3 Dy1 -167.9(4) . .
C1 C2 O3 Dy1 12.3(5) . .
C17 C18 O4 C20 1.1(7) . .
C13 C18 O4 C20 -178.5(5) . .
C21 C26 O5 Co1 178.0(3) . .
C21 C26 O5 Dy1 31.0(5) . .
O2 Co1 O5 C26 -60.6(3) . .
N3 Co1 O5 C26 31.9(3) . .
N1 Co1 O5 C26 168.8(8) . .
O1 Co1 O5 C26 -146.6(3) . .
N2 Co1 O5 C26 115.4(3) . .
O2 Co1 O5 Dy1 90.76(14) . .
N3 Co1 O5 Dy1 -176.79(16) . .
N1 Co1 O5 Dy1 -39.9(9) . .
O1 Co1 O5 Dy1 4.73(13) . .
N2 Co1 O5 Dy1 -93.26(15) . .
C25 C27 O6 Dy1 177.8(3) . 2_566
C25 C27 O6 Dy1 -36.5(5) . .
O8 C29 O7 Dy1 -2.3(7) 2_566 .
C28 C29 O7 Dy1 179.3(3) . .
