#------------------------------------------------------------------------------
#$Date: 2021-04-29 12:40:13 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264697 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562287.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_1562287
loop_
_publ_author_name
'Song, Xue-Qin'
'Lei, Yao-Kun'
'Wang, Xiao-Run'
'Zhao, Meng-Meng'
'Peng, Yun-Qiao'
'Cheng, Guo-Quan'
_publ_section_title
;
 Lanthanide coordination polymers: Synthesis, diverse structure and
 luminescence properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              202
_journal_page_last               212
_journal_paper_doi               10.1016/j.jssc.2014.06.025
_journal_volume                  218
_journal_year                    2014
_chemical_formula_sum            'C51 H48 Dy N6 O18'
_chemical_formula_weight         1195.45
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.118(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2807(9)
_cell_length_b                   21.9790(17)
_cell_length_c                   22.9430(17)
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.80
_cell_volume                     6114.5(8)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0916
_diffrn_reflns_av_sigmaI/netI    0.1342
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            32582
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.290
_exptl_absorpt_correction_T_max  0.8927
_exptl_absorpt_correction_T_min  0.6982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.893
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       0.00020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         11274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0267P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                4988
_reflns_number_total             11274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-218-202.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1562287
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.41140(3) 0.687902(18) 1.041334(13) 0.06395(16) Uani 1 1 d . . .
N1 N 0.4044(6) 0.5638(5) 1.0002(3) 0.083(2) Uani 1 1 d . . .
N2 N 0.2735(6) 0.6632(3) 1.1322(3) 0.080(2) Uani 1 1 d . . .
N3 N 0.3940(8) 0.8106(5) 1.0838(3) 0.097(3) Uani 1 1 d . . .
N4 N -0.3708(5) 0.7199(3) 0.9122(2) 0.078(2) Uani 1 1 d . . .
H4 H -0.3556 0.7300 0.8781 0.094 Uiso 1 1 calc R . .
N5 N 0.1281(5) 0.7246(3) 0.9017(2) 0.082(2) Uani 1 1 d . . .
H5 H 0.0905 0.7324 0.8676 0.099 Uiso 1 1 calc R . .
N6 N 0.6840(5) 0.5829(4) 1.1339(3) 0.078(2) Uani 1 1 d . . .
H6 H 0.7508 0.5702 1.1429 0.093 Uiso 1 1 calc R . .
O1 O 0.4728(6) 0.7766(3) 1.1027(2) 0.107(2) Uani 1 1 d . . .
O2 O 0.2858(4) 0.6887(2) 0.95387(18) 0.0675(13) Uani 1 1 d . . .
O3 O 0.3541(4) 0.5824(2) 1.0412(2) 0.0814(17) Uani 1 1 d . . .
O4 O 0.3890(5) 0.5147(3) 0.9773(3) 0.114(3) Uani 1 1 d . . .
O5 O 0.2182(4) 0.6479(3) 1.1686(2) 0.104(2) Uani 1 1 d . . .
O6 O 0.3773(4) 0.6626(2) 1.14214(19) 0.0851(18) Uani 1 1 d . . .
O7 O 0.4714(5) 0.6026(3) 0.9850(2) 0.0832(18) Uani 1 1 d . . .
O8 O 0.2321(4) 0.6796(2) 1.0799(2) 0.0816(16) Uani 1 1 d . . .
O9 O 0.3254(4) 0.7896(3) 1.0427(2) 0.0873(19) Uani 1 1 d . . .
O10 O 0.3880(7) 0.8619(4) 1.1033(3) 0.150(3) Uani 1 1 d . . .
O11 O 0.5762(4) 0.6589(2) 1.09670(19) 0.0763(16) Uani 1 1 d . . .
O12 O -0.4809(4) 0.7357(2) 0.98013(18) 0.0746(15) Uani 1 1 d . . .
O13 O -0.4234(4) 0.7749(2) 0.81020(19) 0.0758(15) Uani 1 1 d . . .
O14 O 0.1116(4) 0.7251(2) 0.78722(18) 0.0820(16) Uani 1 1 d . . .
O15 O -0.1974(6) 0.6382(4) 0.8733(3) 0.122(2) Uani 1 1 d . . .
C42 C 0.5960(12) 0.5337(5) 1.2086(5) 0.112(4) Uani 1 1 d . . .
O16 O 0.8919(4) 0.5902(3) 1.1159(2) 0.0777(16) Uani 1 1 d . . .
C1 C -0.2076(8) 0.8187(5) 0.7573(3) 0.090(3) Uani 1 1 d . . .
H1 H -0.2280 0.8577 0.7671 0.108 Uiso 1 1 calc R . .
C2 C -0.0957(7) 0.8070(6) 0.7522(3) 0.085(3) Uani 1 1 d . . .
C3 C -0.0671(7) 0.7511(6) 0.7379(3) 0.076(3) Uani 1 1 d . . .
C4 C -0.1463(7) 0.7056(5) 0.7283(3) 0.086(3) Uani 1 1 d . . .
H4A H -0.1250 0.6670 0.7181 0.103 Uiso 1 1 calc R . .
C5 C -0.2586(7) 0.7158(6) 0.7334(3) 0.083(3) Uani 1 1 d . . .
C6 C -0.2858(7) 0.7743(6) 0.7481(3) 0.080(3) Uani 1 1 d . . .
C7 C -0.3403(7) 0.6656(4) 0.7227(3) 0.110(3) Uani 1 1 d . . .
H7A H -0.4073 0.6805 0.7001 0.165 Uiso 1 1 calc R . .
H7B H -0.3551 0.6502 0.7599 0.165 Uiso 1 1 calc R . .
H7C H -0.3111 0.6335 0.7014 0.165 Uiso 1 1 calc R . .
C8 C -0.0125(8) 0.8590(5) 0.7651(3) 0.113(3) Uani 1 1 d . . .
H8A H 0.0426 0.8482 0.7980 0.170 Uiso 1 1 calc R . .
H8B H -0.0499 0.8952 0.7744 0.170 Uiso 1 1 calc R . .
H8C H 0.0222 0.8662 0.7310 0.170 Uiso 1 1 calc R . .
C9 C 0.0474(6) 0.7340(4) 0.7287(3) 0.083(3) Uani 1 1 d . . .
H9A H 0.0459 0.6969 0.7057 0.099 Uiso 1 1 calc R . .
H9B H 0.0794 0.7661 0.7079 0.099 Uiso 1 1 calc R . .
C10 C 0.2128(6) 0.6959(4) 0.7920(3) 0.072(2) Uani 1 1 d . . .
C11 C 0.2616(6) 0.6807(4) 0.7432(3) 0.082(3) Uani 1 1 d . . .
H11 H 0.2266 0.6908 0.7055 0.099 Uiso 1 1 calc R . .
C12 C 0.3601(7) 0.6513(4) 0.7505(3) 0.079(2) Uani 1 1 d . . .
H12 H 0.3925 0.6417 0.7176 0.095 Uiso 1 1 calc R . .
C13 C 0.4130(6) 0.6353(4) 0.8063(3) 0.079(2) Uani 1 1 d . . .
H13 H 0.4800 0.6147 0.8110 0.095 Uiso 1 1 calc R . .
C14 C 0.3656(6) 0.6501(3) 0.8544(3) 0.066(2) Uani 1 1 d . . .
H14 H 0.4007 0.6386 0.8917 0.080 Uiso 1 1 calc R . .
C15 C 0.2668(6) 0.6817(4) 0.8495(3) 0.064(2) Uani 1 1 d . . .
C16 C 0.2270(6) 0.6982(4) 0.9049(3) 0.068(2) Uani 1 1 d . . .
C17 C 0.0818(7) 0.7407(5) 0.9552(3) 0.098(3) Uani 1 1 d . . .
H17A H 0.0442 0.7059 0.9687 0.118 Uiso 1 1 calc R . .
H17B H 0.1406 0.7527 0.9865 0.118 Uiso 1 1 calc R . .
C22 C -0.4020(6) 0.7921(4) 0.7518(3) 0.085(3) Uani 1 1 d . . .
H22A H -0.4115 0.8357 0.7461 0.102 Uiso 1 1 calc R . .
H22B H -0.4528 0.7714 0.7216 0.102 Uiso 1 1 calc R . .
C23 C -0.5138(6) 0.7992(4) 0.8299(3) 0.072(2) Uani 1 1 d . . .
C24 C -0.5937(6) 0.8313(4) 0.7926(3) 0.077(3) Uani 1 1 d . . .
H24 H -0.5893 0.8349 0.7526 0.093 Uiso 1 1 calc R . .
C25 C -0.6797(6) 0.8578(4) 0.8154(3) 0.081(3) Uani 1 1 d . . .
H25 H -0.7319 0.8804 0.7906 0.098 Uiso 1 1 calc R . .
C26 C -0.6898(7) 0.8515(4) 0.8733(3) 0.081(3) Uani 1 1 d . . .
H26 H -0.7482 0.8697 0.8881 0.097 Uiso 1 1 calc R . .
C27 C -0.6124(6) 0.8177(4) 0.9099(3) 0.077(2) Uani 1 1 d . . .
H27 H -0.6182 0.8145 0.9497 0.092 Uiso 1 1 calc R . .
C28 C -0.5248(6) 0.7879(4) 0.8886(3) 0.070(2) Uani 1 1 d . . .
C29 C -0.4558(6) 0.7461(4) 0.9311(3) 0.071(2) Uani 1 1 d . . .
C30 C -0.2707(8) 0.6249(7) 0.9107(4) 0.094(3) Uani 1 1 d . . .
C31 C -0.2957(9) 0.5666(7) 0.9053(5) 0.121(4) Uani 1 1 d . . .
H31 H -0.3415 0.5458 0.9272 0.146 Uiso 1 1 calc R . .
C32 C -0.2425(11) 0.5407(7) 0.8614(6) 0.134(4) Uani 1 1 d . . .
H32 H -0.2495 0.5010 0.8473 0.161 Uiso 1 1 calc R . .
C33 C -0.1812(11) 0.5838(8) 0.8442(5) 0.127(5) Uani 1 1 d . . .
H33 H -0.1339 0.5789 0.8167 0.152 Uiso 1 1 calc R . .
C34 C 0.8737(6) 0.6491(5) 1.1006(3) 0.061(2) Uani 1 1 d . . .
C35 C 0.9567(6) 0.6865(5) 1.0886(3) 0.073(2) Uani 1 1 d . . .
H35 H 1.0267 0.6705 1.0884 0.088 Uiso 1 1 calc R . .
C36 C 0.9382(7) 0.7477(5) 1.0769(3) 0.077(3) Uani 1 1 d . . .
H36 H 0.9964 0.7721 1.0695 0.092 Uiso 1 1 calc R . .
C37 C 0.8346(8) 0.7734(4) 1.0759(3) 0.077(2) Uani 1 1 d . . .
H37 H 0.8210 0.8144 1.0674 0.092 Uiso 1 1 calc R . .
C38 C -0.3011(7) 0.6740(5) 0.9474(3) 0.096(3) Uani 1 1 d . . .
H38A H -0.2348 0.6934 0.9677 0.115 Uiso 1 1 calc R . .
H38B H -0.3408 0.6573 0.9771 0.115 Uiso 1 1 calc R . .
C39 C 0.7676(6) 0.6727(4) 1.0999(3) 0.059(2) Uani 1 1 d . . .
C40 C 0.6693(7) 0.6374(5) 1.1098(3) 0.064(2) Uani 1 1 d . . .
C41 C 0.5969(7) 0.5422(4) 1.1467(4) 0.097(3) Uani 1 1 d . . .
H41A H 0.5262 0.5585 1.1287 0.117 Uiso 1 1 calc R . .
H41B H 0.6060 0.5029 1.1287 0.117 Uiso 1 1 calc R . .
C43 C 0.5114(12) 0.5343(5) 1.2407(6) 0.147(5) Uani 1 1 d . . .
H43 H 0.4369 0.5418 1.2279 0.177 Uiso 1 1 calc R . .
C44 C 0.5637(16) 0.5209(7) 1.2966(7) 0.171(6) Uani 1 1 d . . .
H44 H 0.5265 0.5206 1.3289 0.206 Uiso 1 1 calc R . .
C45 C 0.6713(15) 0.5084(7) 1.3018(6) 0.164(6) Uani 1 1 d . . .
H45 H 0.7201 0.4980 1.3356 0.197 Uiso 1 1 calc R . .
O17 O 0.6933(8) 0.5153(4) 1.2414(4) 0.168(3) Uani 1 1 d . . .
C18 C 0.0067(12) 0.7894(8) 0.9419(5) 0.108(4) Uani 1 1 d . . .
C88 C 0.0177(13) 0.8447(10) 0.9577(5) 0.140(5) Uani 1 1 d . . .
H88 H 0.0803 0.8602 0.9812 0.168 Uiso 1 1 calc R . .
C21 C -0.0701(18) 0.8775(8) 0.9371(7) 0.165(6) Uani 1 1 d . . .
H21 H -0.0732 0.9196 0.9408 0.198 Uiso 1 1 calc R . .
C19 C -0.1485(12) 0.8461(10) 0.9119(6) 0.141(5) Uani 1 1 d . . .
H19 H -0.2201 0.8581 0.8969 0.169 Uiso 1 1 calc R . .
O18 O -0.0993(10) 0.7861(5) 0.9120(3) 0.145(3) Uani 1 1 d . . .
C46 C 0.9965(5) 0.5594(4) 1.1129(3) 0.077(2) Uani 1 1 d . . .
H46A H 1.0100 0.5291 1.1440 0.093 Uiso 1 1 calc R . .
H46B H 1.0562 0.5888 1.1193 0.093 Uiso 1 1 calc R . .
C47 C 0.9953(6) 0.5289(4) 1.0540(3) 0.068(2) Uani 1 1 d . . .
C48 C 1.0587(6) 0.5524(4) 1.0133(4) 0.073(2) Uani 1 1 d . . .
H48 H 1.0986 0.5880 1.0225 0.088 Uiso 1 1 calc R . .
C49 C 0.9366(6) 0.4763(4) 1.0406(3) 0.069(2) Uani 1 1 d . . .
C50 C 0.8661(6) 0.4464(4) 1.0819(3) 0.096(3) Uani 1 1 d . . .
H50A H 0.9124 0.4343 1.1177 0.143 Uiso 1 1 calc R . .
H50B H 0.8298 0.4112 1.0630 0.143 Uiso 1 1 calc R . .
H50C H 0.8118 0.4748 1.0909 0.143 Uiso 1 1 calc R . .
C51 C 0.7512(6) 0.7337(5) 1.0884(3) 0.074(3) Uani 1 1 d . . .
H51 H 0.6812 0.7496 1.0888 0.088 Uiso 1 1 calc R . .
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'
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
O11 Dy1 O12 85.63(16) . 1_655
O11 Dy1 O2 151.83(16) . .
O12 Dy1 O2 80.74(15) 1_655 .
O11 Dy1 O3 88.05(17) . .
O12 Dy1 O3 128.62(17) 1_655 .
O2 Dy1 O3 81.54(17) . .
O11 Dy1 O1 74.9(2) . .
O12 Dy1 O1 80.52(19) 1_655 .
O2 Dy1 O1 126.2(2) . .
O3 Dy1 O1 145.50(19) . .
O11 Dy1 O7 76.60(17) . .
O12 Dy1 O7 77.35(19) 1_655 .
O2 Dy1 O7 76.41(16) . .
O3 Dy1 O7 51.66(18) . .
O1 Dy1 O7 145.0(2) . .
O11 Dy1 O9 125.62(19) . .
O12 Dy1 O9 83.37(17) 1_655 .
O2 Dy1 O9 77.24(18) . .
O3 Dy1 O9 137.72(18) . .
O1 Dy1 O9 50.8(2) . .
O7 Dy1 O9 149.42(17) . .
O11 Dy1 O6 71.76(17) . .
O12 Dy1 O6 149.41(16) 1_655 .
O2 Dy1 O6 128.23(16) . .
O3 Dy1 O6 72.24(17) . .
O1 Dy1 O6 73.97(19) . .
O7 Dy1 O6 115.41(18) . .
O9 Dy1 O6 93.13(17) . .
O11 Dy1 O8 121.98(16) . .
O12 Dy1 O8 149.45(16) 1_655 .
O2 Dy1 O8 78.80(15) . .
O3 Dy1 O8 70.08(18) . .
O1 Dy1 O8 93.6(2) . .
O7 Dy1 O8 118.9(2) . .
O9 Dy1 O8 70.17(18) . .
O6 Dy1 O8 50.67(15) . .
O4 N1 O7 123.0(8) . .
O4 N1 O3 123.4(9) . .
O7 N1 O3 113.6(9) . .
O5 N2 O6 122.5(6) . .
O5 N2 O8 123.1(6) . .
O6 N2 O8 114.4(6) . .
O10 N3 O1 121.0(10) . .
O10 N3 O9 123.1(10) . .
O1 N3 O9 115.8(10) . .
C29 N4 C38 122.4(6) . .
C29 N4 H4 118.8 . .
C38 N4 H4 118.8 . .
C16 N5 C17 121.7(6) . .
C16 N5 H5 119.1 . .
C17 N5 H5 119.1 . .
C40 N6 C41 125.8(7) . .
C40 N6 H6 117.1 . .
C41 N6 H6 117.1 . .
N3 O1 Dy1 97.2(6) . .
C16 O2 Dy1 169.2(5) . .
N1 O3 Dy1 97.6(5) . .
N2 O6 Dy1 98.3(4) . .
N1 O7 Dy1 96.1(5) . .
N2 O8 Dy1 96.4(4) . .
N3 O9 Dy1 96.0(6) . .
C40 O11 Dy1 160.6(5) . .
C29 O12 Dy1 151.8(5) . 1_455
C23 O13 C22 118.3(5) . .
C10 O14 C9 118.8(5) . .
C30 O15 C33 105.8(10) . .
C43 C42 O17 112.3(11) . .
C43 C42 C41 131.2(14) . .
O17 C42 C41 116.1(12) . .
C34 O16 C46 122.8(6) . .
C6 C1 C2 121.7(10) . .
C6 C1 H1 119.2 . .
C2 C1 H1 119.2 . .
C3 C2 C1 118.9(10) . .
C3 C2 C8 122.8(9) . .
C1 C2 C8 118.3(11) . .
C2 C3 C4 119.8(9) . .
C2 C3 C9 123.7(10) . .
C4 C3 C9 116.5(10) . .
C3 C4 C5 122.7(9) . .
C3 C4 H4A 118.7 . .
C5 C4 H4A 118.7 . .
C6 C5 C4 116.2(10) . .
C6 C5 C7 123.2(9) . .
C4 C5 C7 120.6(10) . .
C1 C6 C5 120.8(10) . .
C1 C6 C22 117.3(10) . .
C5 C6 C22 121.8(10) . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C2 C8 H8A 109.5 . .
C2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O14 C9 C3 106.6(5) . .
O14 C9 H9A 110.4 . .
C3 C9 H9A 110.4 . .
O14 C9 H9B 110.4 . .
C3 C9 H9B 110.4 . .
H9A C9 H9B 108.6 . .
O14 C10 C11 122.8(6) . .
O14 C10 C15 117.2(6) . .
C11 C10 C15 120.0(7) . .
C12 C11 C10 120.3(7) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C11 C12 C13 120.8(7) . .
C11 C12 H12 119.6 . .
C13 C12 H12 119.6 . .
C14 C13 C12 119.2(7) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
C13 C14 C15 122.2(6) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
C14 C15 C10 117.5(6) . .
C14 C15 C16 117.2(6) . .
C10 C15 C16 125.3(7) . .
O2 C16 N5 120.6(6) . .
O2 C16 C15 120.6(7) . .
N5 C16 C15 118.8(6) . .
C18 C17 N5 109.0(7) . .
C18 C17 H17A 109.9 . .
N5 C17 H17A 109.9 . .
C18 C17 H17B 109.9 . .
N5 C17 H17B 109.9 . .
H17A C17 H17B 108.3 . .
O13 C22 C6 107.2(6) . .
O13 C22 H22A 110.3 . .
C6 C22 H22A 110.3 . .
O13 C22 H22B 110.3 . .
C6 C22 H22B 110.3 . .
H22A C22 H22B 108.5 . .
O13 C23 C24 121.7(6) . .
O13 C23 C28 117.1(7) . .
C24 C23 C28 121.2(7) . .
C25 C24 C23 119.3(7) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C26 C25 C24 121.4(8) . .
C26 C25 H25 119.3 . .
C24 C25 H25 119.3 . .
C25 C26 C27 119.2(7) . .
C25 C26 H26 120.4 . .
C27 C26 H26 120.4 . .
C26 C27 C28 121.9(7) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C23 C28 C27 116.6(7) . .
C23 C28 C29 127.1(7) . .
C27 C28 C29 116.3(6) . .
O12 C29 N4 122.8(8) . .
O12 C29 C28 120.6(7) . .
N4 C29 C28 116.6(6) . .
C31 C30 O15 108.4(11) . .
C31 C30 C38 134.3(11) . .
O15 C30 C38 117.3(12) . .
C30 C31 C32 109.4(13) . .
C30 C31 H31 125.3 . .
C32 C31 H31 125.3 . .
C33 C32 C31 106.2(15) . .
C33 C32 H32 126.9 . .
C31 C32 H32 126.9 . .
C32 C33 O15 110.1(13) . .
C32 C33 H33 125.0 . .
O15 C33 H33 125.0 . .
O16 C34 C35 122.0(8) . .
O16 C34 C39 118.3(8) . .
C35 C34 C39 119.6(9) . .
C34 C35 C36 121.2(8) . .
C34 C35 H35 119.4 . .
C36 C35 H35 119.4 . .
C35 C36 C37 121.4(8) . .
C35 C36 H36 119.3 . .
C37 C36 H36 119.3 . .
C36 C37 C51 115.9(9) . .
C36 C37 H37 122.0 . .
C51 C37 H37 122.0 . .
C30 C38 N4 111.7(7) . .
C30 C38 H38A 109.3 . .
N4 C38 H38A 109.3 . .
C30 C38 H38B 109.3 . .
N4 C38 H38B 109.3 . .
H38A C38 H38B 107.9 . .
C51 C39 C34 118.2(8) . .
C51 C39 C40 116.2(8) . .
C34 C39 C40 125.7(9) . .
O11 C40 N6 120.8(8) . .
O11 C40 C39 120.6(9) . .
N6 C40 C39 118.6(8) . .
C42 C41 N6 113.5(8) . .
C42 C41 H41A 108.9 . .
N6 C41 H41A 108.9 . .
C42 C41 H41B 108.9 . .
N6 C41 H41B 108.9 . .
H41A C41 H41B 107.7 . .
C42 C43 C44 102.6(13) . .
C42 C43 H43 128.7 . .
C44 C43 H43 128.7 . .
C45 C44 C43 116.0(16) . .
C45 C44 H44 122.0 . .
C43 C44 H44 122.0 . .
C44 C45 O17 102.9(13) . .
C44 C45 H45 128.6 . .
O17 C45 H45 128.6 . .
C42 O17 C45 106.0(11) . .
C88 C18 O18 104.1(13) . .
C88 C18 C17 128.7(19) . .
O18 C18 C17 127.1(16) . .
C18 C88 C21 112.1(18) . .
C18 C88 H88 124.0 . .
C21 C88 H88 124.0 . .
C19 C21 C88 113(2) . .
C19 C21 H21 123.6 . .
C88 C21 H21 123.6 . .
C21 C19 O18 102.2(15) . .
C21 C19 H19 128.9 . .
O18 C19 H19 128.9 . .
C18 O18 C19 108.4(11) . .
O16 C46 C47 111.3(6) . .
O16 C46 H46A 109.4 . .
C47 C46 H46A 109.4 . .
O16 C46 H46B 109.4 . .
C47 C46 H46B 109.4 . .
H46A C46 H46B 108.0 . .
C49 C47 C48 119.3(7) . .
C49 C47 C46 120.4(8) . .
C48 C47 C46 120.3(8) . .
C49 C48 C47 121.7(7) 3_767 .
C49 C48 H48 119.1 3_767 .
C47 C48 H48 119.1 . .
C47 C49 C48 119.0(7) . 3_767
C47 C49 C50 123.5(8) . .
C48 C49 C50 117.5(9) 3_767 .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C39 C51 C37 123.7(8) . .
C39 C51 H51 118.2 . .
C37 C51 H51 118.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O11 2.302(5) .
Dy1 O12 2.327(5) 1_655
Dy1 O2 2.329(4) .
Dy1 O3 2.423(5) .
Dy1 O1 2.452(6) .
Dy1 O7 2.456(6) .
Dy1 O9 2.474(6) .
Dy1 O6 2.478(4) .
Dy1 O8 2.506(4) .
N1 O4 1.204(8) .
N1 O7 1.270(8) .
N1 O3 1.271(7) .
N2 O5 1.205(6) .
N2 O6 1.259(7) .
N2 O8 1.279(6) .
N3 O10 1.219(9) .
N3 O1 1.244(9) .
N3 O9 1.248(9) .
N4 C29 1.324(8) .
N4 C38 1.480(8) .
N4 H4 0.8600 .
N5 C16 1.338(8) .
N5 C17 1.476(8) .
N5 H5 0.8600 .
N6 C40 1.321(9) .
N6 C41 1.459(9) .
N6 H6 0.8600 .
O2 C16 1.254(7) .
O11 C40 1.229(8) .
O12 C29 1.234(7) .
O12 Dy1 2.327(4) 1_455
O13 C23 1.372(7) .
O13 C22 1.456(7) .
O14 C10 1.388(8) .
O14 C9 1.458(7) .
O15 C30 1.371(9) .
O15 C33 1.399(13) .
C42 C43 1.365(13) .
C42 O17 1.367(11) .
C42 C41 1.436(11) .
O16 C34 1.349(8) .
O16 C46 1.464(7) .
C1 C6 1.362(11) .
C1 C2 1.421(10) .
C1 H1 0.9300 .
C2 C3 1.333(11) .
C2 C8 1.531(11) .
C3 C4 1.388(11) .
C3 C9 1.503(10) .
C4 C5 1.420(10) .
C4 H4A 0.9300 .
C5 C6 1.384(11) .
C5 C7 1.485(11) .
C6 C22 1.495(10) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.391(8) .
C10 C15 1.413(8) .
C11 C12 1.359(9) .
C11 H11 0.9300 .
C12 C13 1.387(8) .
C12 H12 0.9300 .
C13 C14 1.366(8) .
C13 H13 0.9300 .
C14 C15 1.387(8) .
C14 H14 0.9300 .
C15 C16 1.477(8) .
C17 C18 1.413(13) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.387(9) .
C23 C28 1.398(8) .
C24 C25 1.380(9) .
C24 H24 0.9300 .
C25 C26 1.362(8) .
C25 H25 0.9300 .
C26 C27 1.381(9) .
C26 H26 0.9300 .
C27 C28 1.411(9) .
C27 H27 0.9300 .
C28 C29 1.500(9) .
C30 C31 1.318(12) .
C30 C38 1.454(12) .
C31 C32 1.406(14) .
C31 H31 0.9300 .
C32 C33 1.308(14) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 C35 1.371(10) .
C34 C39 1.401(9) .
C35 C36 1.383(10) .
C35 H35 0.9300 .
C36 C37 1.390(10) .
C36 H36 0.9300 .
C37 C51 1.410(10) .
C37 H37 0.9300 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C51 1.374(9) .
C39 C40 1.483(10) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C43 C44 1.372(14) .
C43 H43 0.9300 .
C44 C45 1.335(15) .
C44 H44 0.9300 .
C45 O17 1.462(13) .
C45 H45 0.9300 .
C18 C88 1.270(14) .
C18 O18 1.373(13) .
C88 C21 1.323(16) .
C88 H88 0.9300 .
C21 C19 1.250(16) .
C21 H21 0.9300 .
C19 O18 1.451(15) .
C19 H19 0.9300 .
C46 C47 1.507(9) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C49 1.372(10) .
C47 C48 1.404(9) .
C48 C49 1.397(9) 3_767
C48 H48 0.9300 .
C49 C48 1.397(9) 3_767
C49 C50 1.530(9) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O10 N3 O1 Dy1 178.8(8) . . . .
O9 N3 O1 Dy1 -3.8(8) . . . .
O11 Dy1 O1 N3 179.4(6) . . . .
O12 Dy1 O1 N3 91.4(5) 1_655 . . .
O2 Dy1 O1 N3 20.3(6) . . . .
O3 Dy1 O1 N3 -117.7(5) . . . .
O7 Dy1 O1 N3 142.7(5) . . . .
O9 Dy1 O1 N3 2.2(5) . . . .
O6 Dy1 O1 N3 -105.7(5) . . . .
O8 Dy1 O1 N3 -58.5(5) . . . .
O11 Dy1 O2 C16 -94(3) . . . .
O12 Dy1 O2 C16 -32(2) 1_655 . . .
O3 Dy1 O2 C16 -163(3) . . . .
O1 Dy1 O2 C16 39(3) . . . .
O7 Dy1 O2 C16 -111(2) . . . .
O9 Dy1 O2 C16 53(2) . . . .
O6 Dy1 O2 C16 137(2) . . . .
O8 Dy1 O2 C16 125(3) . . . .
O4 N1 O3 Dy1 -168.8(7) . . . .
O7 N1 O3 Dy1 10.0(6) . . . .
O11 Dy1 O3 N1 -80.4(4) . . . .
O12 Dy1 O3 N1 2.4(5) 1_655 . . .
O2 Dy1 O3 N1 73.3(4) . . . .
O1 Dy1 O3 N1 -139.8(5) . . . .
O7 Dy1 O3 N1 -6.0(4) . . . .
O9 Dy1 O3 N1 133.6(4) . . . .
O6 Dy1 O3 N1 -151.9(4) . . . .
O8 Dy1 O3 N1 154.4(4) . . . .
O5 N2 O6 Dy1 173.4(6) . . . .
O8 N2 O6 Dy1 -4.6(7) . . . .
O11 Dy1 O6 N2 -169.6(5) . . . .
O12 Dy1 O6 N2 146.0(4) 1_655 . . .
O2 Dy1 O6 N2 -12.4(5) . . . .
O3 Dy1 O6 N2 -75.7(4) . . . .
O1 Dy1 O6 N2 111.4(5) . . . .
O7 Dy1 O6 N2 -104.9(5) . . . .
O9 Dy1 O6 N2 63.8(5) . . . .
O8 Dy1 O6 N2 2.7(4) . . . .
O4 N1 O7 Dy1 169.0(7) . . . .
O3 N1 O7 Dy1 -9.8(6) . . . .
O11 Dy1 O7 N1 104.3(4) . . . .
O12 Dy1 O7 N1 -167.3(4) 1_655 . . .
O2 Dy1 O7 N1 -83.9(4) . . . .
O3 Dy1 O7 N1 6.0(4) . . . .
O1 Dy1 O7 N1 140.6(5) . . . .
O9 Dy1 O7 N1 -115.0(5) . . . .
O6 Dy1 O7 N1 42.3(5) . . . .
O8 Dy1 O7 N1 -15.1(5) . . . .
O5 N2 O8 Dy1 -173.5(7) . . . .
O6 N2 O8 Dy1 4.5(7) . . . .
O11 Dy1 O8 N2 5.9(5) . . . .
O12 Dy1 O8 N2 -145.9(4) 1_655 . . .
O2 Dy1 O8 N2 165.2(4) . . . .
O3 Dy1 O8 N2 80.3(4) . . . .
O1 Dy1 O8 N2 -68.6(4) . . . .
O7 Dy1 O8 N2 97.8(4) . . . .
O9 Dy1 O8 N2 -114.4(4) . . . .
O6 Dy1 O8 N2 -2.7(4) . . . .
O10 N3 O9 Dy1 -178.9(8) . . . .
O1 N3 O9 Dy1 3.7(8) . . . .
O11 Dy1 O9 N3 -5.6(5) . . . .
O12 Dy1 O9 N3 -85.4(5) 1_655 . . .
O2 Dy1 O9 N3 -167.3(5) . . . .
O3 Dy1 O9 N3 130.9(4) . . . .
O1 Dy1 O9 N3 -2.2(5) . . . .
O7 Dy1 O9 N3 -136.3(5) . . . .
O6 Dy1 O9 N3 64.1(5) . . . .
O8 Dy1 O9 N3 110.1(5) . . . .
O12 Dy1 O11 C40 -52.3(18) 1_655 . . .
O2 Dy1 O11 C40 9(2) . . . .
O3 Dy1 O11 C40 76.6(18) . . . .
O1 Dy1 O11 C40 -133.7(19) . . . .
O7 Dy1 O11 C40 25.7(18) . . . .
O9 Dy1 O11 C40 -131.0(18) . . . .
O6 Dy1 O11 C40 148.6(19) . . . .
O8 Dy1 O11 C40 141.6(18) . . . .
C6 C1 C2 C3 0.2(11) . . . .
C6 C1 C2 C8 -178.1(7) . . . .
C1 C2 C3 C4 0.1(11) . . . .
C8 C2 C3 C4 178.3(6) . . . .
C1 C2 C3 C9 177.2(6) . . . .
C8 C2 C3 C9 -4.6(12) . . . .
C2 C3 C4 C5 -0.5(11) . . . .
C9 C3 C4 C5 -177.8(6) . . . .
C3 C4 C5 C6 0.6(11) . . . .
C3 C4 C5 C7 -179.9(7) . . . .
C2 C1 C6 C5 0.0(12) . . . .
C2 C1 C6 C22 -177.2(6) . . . .
C4 C5 C6 C1 -0.3(11) . . . .
C7 C5 C6 C1 -179.9(7) . . . .
C4 C5 C6 C22 176.8(6) . . . .
C7 C5 C6 C22 -2.8(12) . . . .
C10 O14 C9 C3 165.6(8) . . . .
C2 C3 C9 O14 80.3(9) . . . .
C4 C3 C9 O14 -102.5(7) . . . .
C9 O14 C10 C11 7.4(11) . . . .
C9 O14 C10 C15 -172.9(6) . . . .
O14 C10 C11 C12 -179.0(8) . . . .
C15 C10 C11 C12 1.3(12) . . . .
C10 C11 C12 C13 0.7(13) . . . .
C11 C12 C13 C14 -0.8(13) . . . .
C12 C13 C14 C15 -1.2(12) . . . .
C13 C14 C15 C10 3.1(12) . . . .
C13 C14 C15 C16 -176.6(7) . . . .
O14 C10 C15 C14 177.2(7) . . . .
C11 C10 C15 C14 -3.1(12) . . . .
O14 C10 C15 C16 -3.2(12) . . . .
C11 C10 C15 C16 176.5(7) . . . .
Dy1 O2 C16 N5 -97(2) . . . .
Dy1 O2 C16 C15 81(3) . . . .
C17 N5 C16 O2 -3.1(12) . . . .
C17 N5 C16 C15 178.3(7) . . . .
C14 C15 C16 O2 6.3(11) . . . .
C10 C15 C16 O2 -173.3(7) . . . .
C14 C15 C16 N5 -175.0(7) . . . .
C10 C15 C16 N5 5.3(12) . . . .
C16 N5 C17 C18 154.3(11) . . . .
C23 O13 C22 C6 164.4(8) . . . .
C1 C6 C22 O13 -99.1(8) . . . .
C5 C6 C22 O13 83.7(9) . . . .
C22 O13 C23 C24 10.6(11) . . . .
C22 O13 C23 C28 -172.3(6) . . . .
O13 C23 C24 C25 -176.4(7) . . . .
C28 C23 C24 C25 6.7(12) . . . .
C23 C24 C25 C26 -2.2(13) . . . .
C24 C25 C26 C27 -0.2(13) . . . .
C25 C26 C27 C28 -2.0(13) . . . .
O13 C23 C28 C27 174.4(7) . . . .
C24 C23 C28 C27 -8.5(12) . . . .
O13 C23 C28 C29 -7.6(12) . . . .
C24 C23 C28 C29 169.5(8) . . . .
C26 C27 C28 C23 6.2(12) . . . .
C26 C27 C28 C29 -172.0(8) . . . .
Dy1 O12 C29 N4 -101.2(11) 1_455 . . .
Dy1 O12 C29 C28 76.2(13) 1_455 . . .
C38 N4 C29 O12 2.5(12) . . . .
C38 N4 C29 C28 -175.0(7) . . . .
C23 C28 C29 O12 -172.9(7) . . . .
C27 C28 C29 O12 5.0(11) . . . .
C23 C28 C29 N4 4.6(12) . . . .
C27 C28 C29 N4 -177.4(7) . . . .
C33 O15 C30 C31 0.9(11) . . . .
C33 O15 C30 C38 179.2(8) . . . .
O15 C30 C31 C32 -2.9(13) . . . .
C38 C30 C31 C32 179.2(10) . . . .
C30 C31 C32 C33 3.9(14) . . . .
C31 C32 C33 O15 -3.3(14) . . . .
C30 O15 C33 C32 1.7(13) . . . .
C46 O16 C34 C35 -8.8(10) . . . .
C46 O16 C34 C39 174.3(6) . . . .
O16 C34 C35 C36 -175.7(6) . . . .
C39 C34 C35 C36 1.2(11) . . . .
C34 C35 C36 C37 -1.0(11) . . . .
C35 C36 C37 C51 1.0(11) . . . .
C31 C30 C38 N4 -111.9(13) . . . .
O15 C30 C38 N4 70.4(10) . . . .
C29 N4 C38 C30 140.2(9) . . . .
O16 C34 C39 C51 175.5(6) . . . .
C35 C34 C39 C51 -1.5(10) . . . .
O16 C34 C39 C40 -5.3(10) . . . .
C35 C34 C39 C40 177.7(6) . . . .
Dy1 O11 C40 N6 -100.0(17) . . . .
Dy1 O11 C40 C39 81(2) . . . .
C41 N6 C40 O11 1.1(12) . . . .
C41 N6 C40 C39 -179.9(6) . . . .
C51 C39 C40 O11 14.1(10) . . . .
C34 C39 C40 O11 -165.1(7) . . . .
C51 C39 C40 N6 -164.9(6) . . . .
C34 C39 C40 N6 15.9(10) . . . .
C43 C42 C41 N6 134.5(12) . . . .
O17 C42 C41 N6 -53.6(12) . . . .
C40 N6 C41 C42 -111.9(10) . . . .
O17 C42 C43 C44 5.6(15) . . . .
C41 C42 C43 C44 177.7(12) . . . .
C42 C43 C44 C45 -3.9(19) . . . .
C43 C44 C45 O17 1(2) . . . .
C43 C42 O17 C45 -5.2(13) . . . .
C41 C42 O17 C45 -178.7(9) . . . .
C44 C45 O17 C42 2.5(15) . . . .
N5 C17 C18 C88 -107.9(14) . . . .
N5 C17 C18 O18 77.4(12) . . . .
O18 C18 C88 C21 -4.1(16) . . . .
C17 C18 C88 C21 -179.7(11) . . . .
C18 C88 C21 C19 7(2) . . . .
C88 C21 C19 O18 -6.0(18) . . . .
C88 C18 O18 C19 0.4(13) . . . .
C17 C18 O18 C19 176.2(10) . . . .
C21 C19 O18 C18 3.4(15) . . . .
C34 O16 C46 C47 -91.4(8) . . . .
O16 C46 C47 C49 -74.3(9) . . . .
O16 C46 C47 C48 108.9(8) . . . .
C49 C47 C48 C49 0.1(13) . . . 3_767
C46 C47 C48 C49 177.0(6) . . . 3_767
C48 C47 C49 C48 -0.1(12) . . . 3_767
C46 C47 C49 C48 -177.0(6) . . . 3_767
C48 C47 C49 C50 179.2(6) . . . .
C46 C47 C49 C50 2.4(11) . . . .
C34 C39 C51 C37 1.6(10) . . . .
C40 C39 C51 C37 -177.7(6) . . . .
C36 C37 C51 C39 -1.3(11) . . . .
