#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:35:42 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224523 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/06/7700649.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_7700649
loop_
_publ_author_name
'Li, Qipeng'
'Peng, Yan'
'Qian, Jinjie'
'Yan, Tong'
'Du, Lin'
'Zhao, Qihua'
_publ_section_title
;
 A family of planar hexanuclear CoLn clusters with lucanidae-like
 arrangement and single-molecule magnet behavior.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12880
_journal_page_last               12887
_journal_paper_doi               10.1039/c9dt02103e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C64 H82 Co4 Dy2 N18 O18, 2(C2H3O2), 20[H2O]'
_chemical_formula_sum            'C68 H88 Co4 Dy2 N18 O22'
_chemical_formula_weight         2070.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-07-22 deposited with the CCDC.    2019-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 124.305(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.420(7)
_cell_length_b                   15.214(3)
_cell_length_c                   24.240(6)
_cell_measurement_reflns_used    10991
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4895
_cell_measurement_theta_min      2.0678
_cell_volume                     9876(4)
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_collection       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37154
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_min         2.533
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.217
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'Red Brown'
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4152
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.315
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         10896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1015P)²+37.8731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1689
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9053
_reflns_number_total             10896
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02103e2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7700649--7700652.cif.'
_cod_database_code               7700649
_shelx_shelxl_version_number     2017/1
_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_min   0.665
_shelx_estimated_absorpt_t_max   0.665
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Co1 Co 0.31679(3) 0.65776(5) 0.87592(3) 0.04451(17) Uani 1 1 d . .
Co2 Co 0.46397(2) 0.37534(4) 1.04472(3) 0.03886(16) Uani 1 1 d . .
Dy1 Dy 0.43589(2) 0.56197(2) 0.95664(2) 0.03856(10) Uani 1 1 d . .
C1 C 0.2447(2) 0.7799(5) 0.7865(3) 0.0631(15) Uani 1 1 d . .
H1A H 0.238126 0.773735 0.741525 0.076 Uiso 1 1 calc R U
H1B H 0.231916 0.837912 0.788887 0.076 Uiso 1 1 calc R U
C2 C 0.2185(2) 0.7089(4) 0.7975(3) 0.0549(13) Uani 1 1 d . .
C3 C 0.1668(2) 0.7102(5) 0.7672(3) 0.0715(18) Uani 1 1 d . .
H3A H 0.147314 0.758707 0.740453 0.086 Uiso 1 1 calc R U
C4 C 0.1449(3) 0.6402(7) 0.7767(4) 0.081(2) Uani 1 1 d . .
H4A H 0.109819 0.639857 0.756355 0.098 Uiso 1 1 calc R U
C5 C 0.1733(3) 0.5712(5) 0.8156(4) 0.0700(18) Uani 1 1 d . .
H5A H 0.158061 0.521857 0.821191 0.084 Uiso 1 1 calc R U
C6 C 0.2241(3) 0.5733(4) 0.8464(4) 0.0617(15) Uani 1 1 d . .
H6A H 0.243906 0.526401 0.875099 0.074 Uiso 1 1 calc R U
C7 C 0.3164(3) 0.8387(4) 0.8949(3) 0.0633(15) Uani 1 1 d . .
H7A H 0.293725 0.890141 0.878030 0.076 Uiso 1 1 calc R U
H7B H 0.350624 0.859707 0.912812 0.076 Uiso 1 1 calc R U
C8 C 0.3151(2) 0.7938(4) 0.9496(3) 0.0561(13) Uani 1 1 d . .
C9 C 0.3115(3) 0.8391(5) 0.9956(4) 0.0746(19) Uani 1 1 d . .
H9A H 0.307476 0.901104 0.993004 0.089 Uiso 1 1 calc R U
C10 C 0.3139(3) 0.7916(6) 1.0458(4) 0.088(3) Uani 1 1 d . .
H10A H 0.312165 0.821231 1.078955 0.105 Uiso 1 1 calc R U
C11 C 0.3188(3) 0.7042(6) 1.0481(3) 0.076(2) Uani 1 1 d . .
H11A H 0.319789 0.671553 1.082286 0.091 Uiso 1 1 calc R U
C12 C 0.3222(2) 0.6614(5) 1.0004(3) 0.0609(15) Uani 1 1 d . .
H12A H 0.325691 0.599285 1.001981 0.073 Uiso 1 1 calc R U
C13 C 0.3320(2) 0.7756(4) 0.8112(3) 0.0533(13) Uani 1 1 d . .
C14 C 0.3132(3) 0.6954(4) 0.7631(3) 0.0610(15) Uani 1 1 d . .
H14A H 0.280703 0.709507 0.721230 0.073 Uiso 1 1 calc R U
H14B H 0.337382 0.681363 0.751734 0.073 Uiso 1 1 calc R U
C15 C 0.3853(2) 0.7550(4) 0.8712(3) 0.0566(14) Uani 1 1 d . .
H15A H 0.406222 0.737118 0.855151 0.068 Uiso 1 1 calc R U
H15B H 0.400344 0.808213 0.899143 0.068 Uiso 1 1 calc R U
C16 C 0.3284(3) 0.8591(5) 0.7742(4) 0.0699(18) Uani 1 1 d . .
H16A H 0.347682 0.851043 0.754276 0.084 Uiso 1 1 calc R U
H16B H 0.293072 0.868905 0.737325 0.084 Uiso 1 1 calc R U
C17 C 0.4504(3) 0.1980(4) 1.0636(4) 0.0698(18) Uani 1 1 d . .
H17A H 0.463865 0.150579 1.050086 0.084 Uiso 1 1 calc R U
H17B H 0.424593 0.172147 1.068447 0.084 Uiso 1 1 calc R U
C18 C 0.4923(3) 0.2356(4) 1.1305(3) 0.0578(14) Uani 1 1 d . .
C19 C 0.5178(3) 0.1835(5) 1.1873(4) 0.0716(19) Uani 1 1 d . .
H19A H 0.509867 0.123003 1.185424 0.086 Uiso 1 1 calc R U
C20 C 0.5550(3) 0.2222(6) 1.2470(4) 0.084(2) Uani 1 1 d . .
H20A H 0.574133 0.187945 1.286454 0.101 Uiso 1 1 calc R U
C21 C 0.5639(3) 0.3102(5) 1.2480(3) 0.0689(17) Uani 1 1 d . .
H21A H 0.588748 0.337793 1.288743 0.083 Uiso 1 1 calc R U
C22 C 0.5369(2) 0.3589(4) 1.1905(3) 0.0548(13) Uani 1 1 d . .
H22A H 0.542967 0.420273 1.192120 0.066 Uiso 1 1 calc R U
C23 C 0.3741(2) 0.2851(4) 0.9875(3) 0.0593(15) Uani 1 1 d . .
H23A H 0.354563 0.304374 0.940277 0.071 Uiso 1 1 calc R U
H23B H 0.358677 0.230876 0.990657 0.071 Uiso 1 1 calc R U
C24 C 0.3738(2) 0.3555(4) 1.0304(3) 0.0565(14) Uani 1 1 d . .
C25 C 0.3358(3) 0.3667(6) 1.0390(4) 0.076(2) Uani 1 1 d . .
H25A H 0.307839 0.328345 1.017622 0.091 Uiso 1 1 calc R U
C26 C 0.3384(3) 0.4329(5) 1.0782(5) 0.078(2) Uani 1 1 d . .
H26A H 0.311558 0.442977 1.082722 0.094 Uiso 1 1 calc R U
C27 C 0.3798(3) 0.4848(5) 1.1111(4) 0.0644(16) Uani 1 1 d . .
H27A H 0.382283 0.530754 1.139420 0.077 Uiso 1 1 calc R U
C28 C 0.4176(2) 0.4702(4) 1.1031(3) 0.0507(12) Uani 1 1 d . .
H28A H 0.447015 0.505015 1.127544 0.061 Uiso 1 1 calc R U
C29 C 0.4342(2) 0.2532(4) 0.9550(3) 0.0475(12) Uani 1 1 d . .
C30 C 0.4905(2) 0.2520(4) 0.9888(3) 0.0577(14) Uani 1 1 d . .
H30A H 0.505437 0.200016 1.018238 0.069 Uiso 1 1 calc R U
H30B H 0.498486 0.249713 0.954962 0.069 Uiso 1 1 calc R U
C31 C 0.4143(2) 0.3393(4) 0.9126(3) 0.0500(12) Uani 1 1 d . .
H31A H 0.431732 0.349427 0.890341 0.060 Uiso 1 1 calc R U
H31B H 0.378128 0.333549 0.877747 0.060 Uiso 1 1 calc R U
C32 C 0.4088(3) 0.1710(4) 0.9132(4) 0.0661(17) Uani 1 1 d . .
H32A H 0.417404 0.163435 0.880243 0.079 Uiso 1 1 calc R U
H32B H 0.420643 0.118536 0.942463 0.079 Uiso 1 1 calc R U
C33 C 0.4391(2) 0.3928(4) 0.7824(3) 0.0539(13) Uani 1 1 d . .
C34 C 0.4392(3) 0.3234(6) 0.7391(4) 0.083(2) Uani 1 1 d . .
H34A H 0.405076 0.314318 0.699951 0.124 Uiso 1 1 calc R U
H34B H 0.460621 0.341750 0.724607 0.124 Uiso 1 1 calc R U
H34C H 0.451934 0.268364 0.764373 0.124 Uiso 1 1 calc R U
N1 N 0.24649(17) 0.6412(3) 0.8366(2) 0.0518(11) Uani 1 1 d . .
N2 N 0.32080(16) 0.7069(3) 0.9523(2) 0.0518(11) Uani 1 1 d . .
N3 N 0.30019(17) 0.7745(3) 0.8390(2) 0.0494(10) Uani 1 1 d . .
N4 N 0.50220(17) 0.3216(3) 1.1321(2) 0.0487(10) Uani 1 1 d . .
N5 N 0.41437(16) 0.4081(3) 1.0617(2) 0.0460(9) Uani 1 1 d . .
N6 N 0.42730(18) 0.2670(3) 1.0109(2) 0.0505(10) Uani 1 1 d . .
N7 N 0.34290(17) 0.5425(3) 0.9179(2) 0.0495(10) Uani 1 1 d . .
N8 N 0.31980(19) 0.4782(4) 0.8812(3) 0.0616(13) Uani 1 1 d . .
N9 N 0.3018(2) 0.4196(4) 0.8506(4) 0.092(2) Uani 1 1 d . .
O1 O 0.30777(14) 0.6223(3) 0.79468(18) 0.0516(9) Uani 1 1 d . .
O2 O 0.38399(13) 0.6862(2) 0.90977(19) 0.0472(8) Uani 1 1 d . .
O3 O 0.3463(3) 0.9339(3) 0.8153(4) 0.0918(18) Uani 1 1 d . .
H3B H 0.343883 0.977866 0.792693 0.138 Uiso 1 1 calc R U
O4 O 0.50957(13) 0.3310(2) 1.02703(18) 0.0437(7) Uani 1 1 d . .
O5 O 0.42268(13) 0.4112(2) 0.95485(17) 0.0418(7) Uani 1 1 d . .
O6 O 0.3549(2) 0.1794(5) 0.8786(4) 0.116(2) Uani 1 1 d . .
H6B H 0.340975 0.134034 0.855732 0.174 Uiso 1 1 calc R U
O7 O 0.39191(15) 0.5376(3) 0.8426(2) 0.0559(9) Uani 1 1 d . .
H7C H 0.385746 0.586682 0.822645 0.084 Uiso 1 1 d R U
H7D H 0.409396 0.506113 0.834145 0.084 Uiso 1 1 d R U
O8 O 0.43946(15) 0.6385(3) 1.0455(2) 0.0558(9) Uani 1 1 d . .
H8A H 0.464596 0.621727 1.082273 0.084 Uiso 1 1 calc R U
O9 O 0.49906(12) 0.4855(2) 1.05920(16) 0.0397(7) Uani 1 1 d . .
O10 O 0.39832(19) 0.4281(4) 0.7632(3) 0.0785(15) Uani 1 1 d . .
O11 O 0.48005(17) 0.4125(3) 0.8349(2) 0.0676(12) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
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'
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
O2 Co1 O1 88.94(17) . .
O2 Co1 N2 93.26(18) . .
O1 Co1 N2 172.62(19) . .
O2 Co1 N3 86.72(18) . .
O1 Co1 N3 86.63(19) . .
N2 Co1 N3 86.5(2) . .
O2 Co1 N1 173.68(19) . .
O1 Co1 N1 90.11(19) . .
N2 Co1 N1 86.9(2) . .
N3 Co1 N1 87.0(2) . .
O2 Co1 N7 85.70(18) . .
O1 Co1 N7 93.06(19) . .
N2 Co1 N7 94.1(2) . .
N3 Co1 N7 172.4(2) . .
N1 Co1 N7 100.6(2) . .
O4 Co2 O5 88.74(16) . .
O4 Co2 N4 89.83(18) . .
O5 Co2 N4 171.58(18) . .
O4 Co2 N5 173.79(17) . .
O5 Co2 N5 92.10(18) . .
N4 Co2 N5 88.4(2) . .
O4 Co2 O9 83.99(15) . .
O5 Co2 O9 85.47(15) . .
N4 Co2 O9 102.63(17) . .
N5 Co2 O9 102.21(17) . .
O4 Co2 N6 88.38(18) . .
O5 Co2 N6 83.66(18) . .
N4 Co2 N6 88.0(2) . .
N5 Co2 N6 85.6(2) . .
O9 Co2 N6 166.84(18) . .
O4 Co2 Dy1 97.17(11) . .
O5 Co2 Dy1 42.08(10) . .
N4 Co2 Dy1 146.33(14) . .
N5 Co2 Dy1 87.55(14) . .
O9 Co2 Dy1 46.08(10) . .
N6 Co2 Dy1 124.93(15) . .
O4 Co2 Dy1 38.87(10) . 5_667
O5 Co2 Dy1 88.15(11) . 5_667
N4 Co2 Dy1 95.93(14) . 5_667
N5 Co2 Dy1 147.29(14) . 5_667
O9 Co2 Dy1 45.18(10) . 5_667
N6 Co2 Dy1 126.84(15) . 5_667
Dy1 Co2 Dy1 71.023(16) . 5_667
O4 Dy1 O7 102.59(15) 5_667 .
O4 Dy1 O5 145.81(13) 5_667 .
O7 Dy1 O5 80.62(14) . .
O4 Dy1 O2 77.45(13) 5_667 .
O7 Dy1 O2 76.17(14) . .
O5 Dy1 O2 135.06(13) . .
O4 Dy1 O8 81.71(14) 5_667 .
O7 Dy1 O8 146.80(14) . .
O5 Dy1 O8 114.29(14) . .
O2 Dy1 O8 72.69(14) . .
O4 Dy1 O9 92.31(12) 5_667 .
O7 Dy1 O9 137.35(13) . .
O5 Dy1 O9 65.83(11) . .
O2 Dy1 O9 146.47(12) . .
O8 Dy1 O9 74.28(12) . .
O4 Dy1 O9 65.45(12) 5_667 5_667
O7 Dy1 O9 76.79(12) . 5_667
O5 Dy1 O9 82.69(12) . 5_667
O2 Dy1 O9 127.15(12) . 5_667
O8 Dy1 O9 132.34(12) . 5_667
O9 Dy1 O9 73.63(13) . 5_667
O4 Dy1 N7 140.35(14) 5_667 .
O7 Dy1 N7 75.21(15) . .
O5 Dy1 N7 73.71(14) . .
O2 Dy1 N7 63.44(14) . .
O8 Dy1 N7 80.78(15) . .
O9 Dy1 N7 116.43(13) . .
O9 Dy1 N7 145.77(13) 5_667 .
O4 Dy1 Co2 126.24(9) 5_667 .
O7 Dy1 Co2 112.79(11) . .
O5 Dy1 Co2 32.82(9) . .
O2 Dy1 Co2 148.27(10) . .
O8 Dy1 Co2 88.92(10) . .
O9 Dy1 Co2 34.88(8) . .
O9 Dy1 Co2 84.36(8) 5_667 .
N7 Dy1 Co2 88.67(11) . .
O4 Dy1 Co2 31.36(9) 5_667 5_667
O7 Dy1 Co2 88.97(11) . 5_667
O5 Dy1 Co2 116.26(9) . 5_667
O2 Dy1 Co2 101.35(10) . 5_667
O8 Dy1 Co2 108.05(10) . 5_667
O9 Dy1 Co2 83.47(8) . 5_667
O9 Dy1 Co2 34.14(8) 5_667 5_667
N7 Dy1 Co2 160.02(11) . 5_667
Co2 Dy1 Co2 108.977(16) . 5_667
O4 Dy1 Dy1 76.42(9) 5_667 5_667
O7 Dy1 Dy1 108.40(10) . 5_667
O5 Dy1 Dy1 70.43(9) . 5_667
O2 Dy1 Dy1 153.84(9) . 5_667
O8 Dy1 Dy1 104.62(10) . 5_667
O9 Dy1 Dy1 36.89(8) . 5_667
O9 Dy1 Dy1 36.74(8) 5_667 5_667
N7 Dy1 Dy1 142.63(11) . 5_667
Co2 Dy1 Dy1 55.041(14) . 5_667
Co2 Dy1 Dy1 53.937(19) 5_667 5_667
N3 C1 C2 109.7(5) . .
N3 C1 H1A 109.7 . .
C2 C1 H1A 109.7 . .
N3 C1 H1B 109.7 . .
C2 C1 H1B 109.7 . .
H1A C1 H1B 108.2 . .
N1 C2 C3 120.8(6) . .
N1 C2 C1 117.2(5) . .
C3 C2 C1 122.1(6) . .
C4 C3 C2 118.9(7) . .
C4 C3 H3A 120.6 . .
C2 C3 H3A 120.6 . .
C3 C4 C5 120.0(6) . .
C3 C4 H4A 120.0 . .
C5 C4 H4A 120.0 . .
C4 C5 C6 119.7(7) . .
C4 C5 H5A 120.2 . .
C6 C5 H5A 120.2 . .
N1 C6 C5 121.2(7) . .
N1 C6 H6A 119.4 . .
C5 C6 H6A 119.4 . .
N3 C7 C8 109.2(5) . .
N3 C7 H7A 109.8 . .
C8 C7 H7A 109.8 . .
N3 C7 H7B 109.8 . .
C8 C7 H7B 109.8 . .
H7A C7 H7B 108.3 . .
N2 C8 C9 122.2(6) . .
N2 C8 C7 114.8(5) . .
C9 C8 C7 122.9(6) . .
C10 C9 C8 117.8(7) . .
C10 C9 H9A 121.1 . .
C8 C9 H9A 121.1 . .
C9 C10 C11 120.3(7) . .
C9 C10 H10A 119.8 . .
C11 C10 H10A 119.8 . .
C12 C11 C10 119.7(7) . .
C12 C11 H11A 120.2 . .
C10 C11 H11A 120.2 . .
N2 C12 C11 120.4(7) . .
N2 C12 H12A 119.8 . .
C11 C12 H12A 119.8 . .
N3 C13 C15 105.1(5) . .
N3 C13 C14 104.2(5) . .
C15 C13 C14 107.8(5) . .
N3 C13 C16 115.2(5) . .
C15 C13 C16 113.6(5) . .
C14 C13 C16 110.3(5) . .
O1 C14 C13 109.1(5) . .
O1 C14 H14A 109.9 . .
C13 C14 H14A 109.9 . .
O1 C14 H14B 109.9 . .
C13 C14 H14B 109.9 . .
H14A C14 H14B 108.3 . .
O2 C15 C13 109.8(4) . .
O2 C15 H15A 109.7 . .
C13 C15 H15A 109.7 . .
O2 C15 H15B 109.7 . .
C13 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
O3 C16 C13 113.3(6) . .
O3 C16 H16A 108.9 . .
C13 C16 H16A 108.9 . .
O3 C16 H16B 108.9 . .
C13 C16 H16B 108.9 . .
H16A C16 H16B 107.7 . .
N6 C17 C18 111.4(5) . .
N6 C17 H17A 109.4 . .
C18 C17 H17A 109.4 . .
N6 C17 H17B 109.4 . .
C18 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C19 C18 N4 121.9(7) . .
C19 C18 C17 121.1(6) . .
N4 C18 C17 116.9(5) . .
C18 C19 C20 118.3(7) . .
C18 C19 H19A 120.9 . .
C20 C19 H19A 120.9 . .
C21 C20 C19 119.0(6) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
C20 C21 C22 120.2(7) . .
C20 C21 H21A 119.9 . .
C22 C21 H21A 119.9 . .
N4 C22 C21 121.3(6) . .
N4 C22 H22A 119.4 . .
C21 C22 H22A 119.4 . .
C24 C23 N6 108.9(5) . .
C24 C23 H23A 109.9 . .
N6 C23 H23A 109.9 . .
C24 C23 H23B 109.9 . .
N6 C23 H23B 109.9 . .
H23A C23 H23B 108.3 . .
N5 C24 C25 121.1(6) . .
N5 C24 C23 115.3(5) . .
C25 C24 C23 123.6(6) . .
C26 C25 C24 119.6(7) . .
C26 C25 H25A 120.2 . .
C24 C25 H25A 120.2 . .
C25 C26 C27 119.7(7) . .
C25 C26 H26A 120.2 . .
C27 C26 H26A 120.2 . .
C28 C27 C26 119.3(7) . .
C28 C27 H27A 120.3 . .
C26 C27 H27A 120.3 . .
N5 C28 C27 121.6(6) . .
N5 C28 H28A 119.2 . .
C27 C28 H28A 119.2 . .
N6 C29 C32 114.4(5) . .
N6 C29 C30 104.9(5) . .
C32 C29 C30 112.4(5) . .
N6 C29 C31 105.0(4) . .
C32 C29 C31 112.5(5) . .
C30 C29 C31 106.8(5) . .
O4 C30 C29 106.7(4) . .
O4 C30 H30A 110.4 . .
C29 C30 H30A 110.4 . .
O4 C30 H30B 110.4 . .
C29 C30 H30B 110.4 . .
H30A C30 H30B 108.6 . .
O5 C31 C29 109.5(4) . .
O5 C31 H31A 109.8 . .
C29 C31 H31A 109.8 . .
O5 C31 H31B 109.8 . .
C29 C31 H31B 109.8 . .
H31A C31 H31B 108.2 . .
O6 C32 C29 109.4(5) . .
O6 C32 H32A 109.8 . .
C29 C32 H32A 109.8 . .
O6 C32 H32B 109.8 . .
C29 C32 H32B 109.8 . .
H32A C32 H32B 108.2 . .
O11 C33 O10 124.6(6) . .
O11 C33 C34 117.7(6) . .
O10 C33 C34 117.6(6) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C2 N1 C6 119.4(5) . .
C2 N1 Co1 112.8(4) . .
C6 N1 Co1 127.8(4) . .
C12 N2 C8 119.5(6) . .
C12 N2 Co1 126.0(5) . .
C8 N2 Co1 113.9(4) . .
C1 N3 C7 111.7(5) . .
C1 N3 C13 114.2(5) . .
C7 N3 C13 114.4(5) . .
C1 N3 Co1 109.3(4) . .
C7 N3 Co1 108.5(3) . .
C13 N3 Co1 97.7(3) . .
C22 N4 C18 119.3(5) . .
C22 N4 Co2 128.0(4) . .
C18 N4 Co2 112.7(4) . .
C28 N5 C24 118.6(5) . .
C28 N5 Co2 128.1(4) . .
C24 N5 Co2 113.1(4) . .
C29 N6 C23 113.9(4) . .
C29 N6 C17 114.6(5) . .
C23 N6 C17 111.5(5) . .
C29 N6 Co2 97.7(3) . .
C23 N6 Co2 107.8(3) . .
C17 N6 Co2 110.3(4) . .
N8 N7 Co1 114.8(4) . .
N8 N7 Dy1 116.8(4) . .
Co1 N7 Dy1 99.0(2) . .
N9 N8 N7 176.4(6) . .
C14 O1 Co1 110.1(4) . .
C15 O2 Co1 109.7(3) . .
C15 O2 Dy1 129.1(3) . .
Co1 O2 Dy1 111.13(17) . .
C16 O3 H3B 109.5 . .
C30 O4 Co2 110.0(3) . .
C30 O4 Dy1 136.6(3) . 5_667
Co2 O4 Dy1 109.76(15) . 5_667
C31 O5 Co2 109.5(3) . .
C31 O5 Dy1 137.1(3) . .
Co2 O5 Dy1 105.10(14) . .
C32 O6 H6B 109.5 . .
Dy1 O7 H7C 109.1 . .
Dy1 O7 H7D 109.4 . .
H7C O7 H7D 109.5 . .
Dy1 O8 H8A 109.5 . .
Co2 O9 Dy1 99.04(13) . .
Co2 O9 Dy1 100.67(14) . 5_667
Dy1 O9 Dy1 106.37(13) . 5_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 1.895(4) .
Co1 O1 1.899(4) .
Co1 N2 1.932(5) .
Co1 N3 1.924(5) .
Co1 N1 1.928(5) .
Co1 N7 1.964(5) .
Co2 O4 1.881(4) .
Co2 O5 1.884(4) .
Co2 N4 1.932(5) .
Co2 N5 1.936(5) .
Co2 O9 1.943(3) .
Co2 N6 1.924(5) .
Dy1 O4 2.268(3) 5_667
Dy1 O7 2.318(4) .
Dy1 O5 2.329(3) .
Dy1 O2 2.353(3) .
Dy1 O8 2.393(4) .
Dy1 O9 2.447(3) .
Dy1 O9 2.456(3) 5_667
Dy1 N7 2.621(5) .
C1 N3 1.511(7) .
C1 C2 1.487(9) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 N1 1.346(7) .
C2 C3 1.401(9) .
C3 C4 1.371(12) .
C3 H3A 0.9500 .
C4 C5 1.365(12) .
C4 H4A 0.9500 .
C5 C6 1.371(10) .
C5 H5A 0.9500 .
C6 N1 1.360(8) .
C6 H6A 0.9500 .
C7 N3 1.505(8) .
C7 C8 1.513(9) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 N2 1.332(8) .
C8 C9 1.370(9) .
C9 C10 1.378(11) .
C9 H9A 0.9500 .
C10 C11 1.337(12) .
C10 H10A 0.9500 .
C11 C12 1.386(9) .
C11 H11A 0.9500 .
C12 N2 1.334(8) .
C12 H12A 0.9500 .
C13 N3 1.519(8) .
C13 C15 1.539(8) .
C13 C14 1.555(9) .
C13 C16 1.519(8) .
C14 O1 1.417(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 O2 1.421(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 O3 1.404(10) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 N6 1.490(8) .
C17 C18 1.522(10) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.388(9) .
C18 N4 1.341(7) .
C19 C20 1.389(12) .
C19 H19A 0.9500 .
C20 C21 1.367(11) .
C20 H20A 0.9500 .
C21 C22 1.372(9) .
C21 H21A 0.9500 .
C22 N4 1.341(7) .
C22 H22A 0.9500 .
C23 C24 1.498(9) .
C23 N6 1.506(8) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 N5 1.350(7) .
C24 C25 1.370(9) .
C25 C26 1.353(11) .
C25 H25A 0.9500 .
C26 C27 1.362(11) .
C26 H26A 0.9500 .
C27 C28 1.364(8) .
C27 H27A 0.9500 .
C28 N5 1.340(7) .
C28 H28A 0.9500 .
C29 N6 1.506(7) .
C29 C32 1.527(7) .
C29 C30 1.524(8) .
C29 C31 1.561(8) .
C30 O4 1.428(6) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 O5 1.416(6) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 O6 1.455(9) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 O11 1.252(7) .
C33 O10 1.250(8) .
C33 C34 1.489(9) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
N7 N8 1.249(8) .
N8 N9 1.094(8) .
O3 H3B 0.8400 .
O6 H6B 0.8400 .
O7 H7C 0.8501 .
O7 H7D 0.8501 .
O8 H8A 0.8400 .
