#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:41:46 +0200 (Mon, 07 Nov 2022) $
#$Revision: 279016 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/18/7061829.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_7061829
loop_
_publ_author_name
'Panja, Anangamohan'
'Jagličić, Zvonko'
'Herchel, Radovan'
'Brandão, Paula'
'Jana, Narayan Ch.'
_publ_section_title
;
 Influence of bridging and chelating co-ligands on the distinct
 single-molecule magnetic behaviours in ZnDy complexes
;
_journal_issue                   39
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18751
_journal_page_last               18763
_journal_paper_doi               10.1039/D2NJ03793A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C75 H95 Dy2 N4 O21.5 Zn2'
_chemical_formula_weight         1852.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-08-20 deposited with the CCDC.	2022-09-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.537(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6478(12)
_cell_length_b                   22.9141(16)
_cell_length_c                   22.4930(18)
_cell_measurement_reflns_used    534
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.22
_cell_measurement_theta_min      2.99
_cell_volume                     7902.0(10)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Mercury (Macrae et al 2008)'
_computing_publication_material  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            154491
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.241
_diffrn_reflns_theta_min         2.483
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.542
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.5760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016-2
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_description       Block
_exptl_crystal_F_000             3748
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.553
_refine_diff_density_min         -2.041
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     986
_refine_ls_number_reflns         17535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_gt           0.0769
_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)+(0.0445P)²+92.8699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1739
_refine_ls_wR_factor_ref         0.2062
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11918
_reflns_number_total             17535
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj03793a2.cif
_cod_data_source_block           complex-4
_cod_depositor_comments
'Adding full bibliography for 7061826--7061829.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C75 H95 Dy2 N4 O21.50 Zn2'
_cod_database_code               7061829
_shelx_shelxl_version_number     2018/3
_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   0.479
_shelx_estimated_absorpt_t_max   0.928
loop_
_space_group_symop_operation_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_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
C27B C 0.874(2) 0.8796(14) 0.2610(17) 0.109(5) Uani 0.5 1 d . . P A 1
H27A H 0.909334 0.888514 0.230998 0.164 Uiso 0.5 1 calc R U P A 1
H27B H 0.885904 0.908048 0.294153 0.164 Uiso 0.5 1 calc R U P A 1
H27C H 0.811705 0.881681 0.241608 0.164 Uiso 0.5 1 calc R U P A 1
C28C C 0.948(2) 0.7725(14) 0.2690(17) 0.109(5) Uani 0.5 1 d . . P A 2
H28A H 0.971445 0.784623 0.233746 0.164 Uiso 0.5 1 calc R U P A 2
H28B H 0.912036 0.737469 0.258868 0.164 Uiso 0.5 1 calc R U P A 2
H28C H 0.995973 0.764027 0.303055 0.164 Uiso 0.5 1 calc R U P A 2
C28B C 0.882(2) 0.7737(13) 0.2330(16) 0.109(5) Uani 0.5 1 d . . P A 1
H28D H 0.821754 0.776078 0.209793 0.164 Uiso 0.5 1 calc R U P A 1
H28E H 0.892796 0.734286 0.249756 0.164 Uiso 0.5 1 calc R U P A 1
H28F H 0.922489 0.782197 0.206241 0.164 Uiso 0.5 1 calc R U P A 1
C29B C 0.9891(19) 0.8212(14) 0.3220(16) 0.109(5) Uani 0.5 1 d . . P A 1
H29A H 1.017703 0.856582 0.311042 0.164 Uiso 0.5 1 calc R U P A 1
H29B H 1.020910 0.786779 0.312341 0.164 Uiso 0.5 1 calc R U P A 1
H29C H 0.988949 0.821740 0.365505 0.164 Uiso 0.5 1 calc R U P A 1
C29C C 0.948(2) 0.8763(13) 0.3049(16) 0.109(5) Uani 0.5 1 d . . P A 2
H29D H 0.965962 0.893183 0.269345 0.164 Uiso 0.5 1 calc R U P A 2
H29E H 0.999556 0.867152 0.335943 0.164 Uiso 0.5 1 calc R U P A 2
H29F H 0.911224 0.904288 0.321243 0.164 Uiso 0.5 1 calc R U P A 2
C27C C 0.837(2) 0.8367(14) 0.2284(16) 0.109(5) Uani 0.5 1 d . . P A 2
H27D H 0.824531 0.878502 0.229778 0.164 Uiso 0.5 1 calc R U P A 2
H27E H 0.783012 0.814440 0.222518 0.164 Uiso 0.5 1 calc R U P A 2
H27F H 0.866923 0.829048 0.194578 0.164 Uiso 0.5 1 calc R U P A 2
DyA Dy 0.28363(4) 0.62881(3) 0.31942(3) 0.07032(19) Uani 1 1 d . . . . .
ZnA Zn 0.44986(7) 0.61917(4) 0.43831(5) 0.0494(3) Uani 1 1 d . . . . .
O1A O 0.3150(5) 0.5289(3) 0.2671(3) 0.068(2) Uani 1 1 d . . . . .
O2A O 0.4014(4) 0.5722(3) 0.3649(3) 0.0566(16) Uani 1 1 d . . . . .
O3A O 0.3973(5) 0.6833(3) 0.3810(3) 0.0587(17) Uani 1 1 d . . . . .
O4A O 0.2616(6) 0.7390(4) 0.3324(4) 0.087(3) Uani 1 1 d . . . . .
O5A O 0.3650(5) 0.6143(3) 0.4932(3) 0.0571(17) Uani 1 1 d . . . . .
O6A O 0.2544(5) 0.6306(5) 0.4163(4) 0.091(3) Uani 1 1 d . . . . .
O7A O 0.3769(5) 0.6543(3) 0.2509(3) 0.0648(18) Uani 1 1 d . . . . .
O8A O 0.2372(5) 0.6481(4) 0.2141(4) 0.082(2) Uani 1 1 d . . . . .
O9A O 0.1290(5) 0.6401(4) 0.3055(4) 0.091(3) Uani 1 1 d . . . . .
O10A O 0.1803(6) 0.5520(4) 0.3255(5) 0.100(3) Uani 1 1 d . . . . .
N1A N 0.5491(5) 0.5616(3) 0.4614(3) 0.0484(18) Uani 1 1 d . . . . .
N2A N 0.5433(5) 0.6764(3) 0.4795(4) 0.052(2) Uani 1 1 d . . . . .
C1A C 0.4203(7) 0.5173(4) 0.3559(4) 0.055(2) Uani 1 1 d . . . . .
C2A C 0.3708(7) 0.4909(4) 0.3041(5) 0.060(3) Uani 1 1 d . . . . .
C3A C 0.3776(8) 0.4315(5) 0.2930(5) 0.067(3) Uani 1 1 d . . . . .
H3A H 0.342209 0.414308 0.258177 0.080 Uiso 1 1 calc R U . . .
C4A C 0.4363(7) 0.3975(4) 0.3330(5) 0.062(3) Uani 1 1 d . . . . .
C5A C 0.4911(7) 0.4236(4) 0.3799(5) 0.058(3) Uani 1 1 d . . . . .
H5A H 0.534612 0.400736 0.405050 0.070 Uiso 1 1 calc R U . . .
C6A C 0.4853(6) 0.4844(4) 0.3925(4) 0.049(2) Uani 1 1 d . . . . .
C7A C 0.2526(11) 0.5055(7) 0.2185(8) 0.120(6) Uani 1 1 d . . . . .
H7AA H 0.281915 0.479986 0.193882 0.179 Uiso 1 1 calc R U . . .
H7AB H 0.223627 0.537457 0.193245 0.179 Uiso 1 1 calc R U . . .
H7AC H 0.209175 0.483013 0.234695 0.179 Uiso 1 1 calc R U . . .
C8A C 0.4385(9) 0.3318(5) 0.3243(6) 0.085(4) Uani 1 1 d . . . . .
H8AA H 0.496586 0.316934 0.342485 0.128 Uiso 1 1 calc R U . . .
H8AB H 0.425561 0.322710 0.280799 0.128 Uiso 1 1 calc R U . . .
H8AC H 0.394863 0.313313 0.343852 0.128 Uiso 1 1 calc R U . . .
C9A C 0.5497(6) 0.5092(4) 0.4399(4) 0.050(2) Uani 1 1 d . . . . .
H9A H 0.597443 0.484988 0.457193 0.060 Uiso 1 1 calc R U . . .
C10A C 0.6190(6) 0.5858(4) 0.5045(4) 0.050(2) Uani 1 1 d . . . . .
C11A C 0.6845(6) 0.5528(4) 0.5407(5) 0.057(3) Uani 1 1 d . . . . .
H11A H 0.684398 0.511511 0.537219 0.069 Uiso 1 1 calc R U . . .
C12A C 0.7490(7) 0.5804(5) 0.5812(5) 0.069(3) Uani 1 1 d . . . . .
H12A H 0.793531 0.558319 0.606363 0.083 Uiso 1 1 calc R U . . .
C13A C 0.7485(8) 0.6411(6) 0.5852(5) 0.072(3) Uani 1 1 d . . . . .
H13A H 0.794331 0.659933 0.612514 0.086 Uiso 1 1 calc R U . . .
C14A C 0.6853(7) 0.6742(5) 0.5515(5) 0.062(3) Uani 1 1 d . . . . .
H14A H 0.687119 0.715506 0.555078 0.074 Uiso 1 1 calc R U . . .
C15A C 0.6175(7) 0.6471(4) 0.5117(4) 0.052(2) Uani 1 1 d . . . . .
C16A C 0.5294(7) 0.7324(4) 0.4822(5) 0.059(3) Uani 1 1 d . . . . .
H16A H 0.573389 0.756001 0.505931 0.071 Uiso 1 1 calc R U . . .
C17A C 0.4497(8) 0.7604(4) 0.4506(5) 0.064(3) Uani 1 1 d . . . . .
C18A C 0.3907(8) 0.7356(4) 0.4048(5) 0.063(3) Uani 1 1 d . . . . .
C19A C 0.3158(8) 0.7668(5) 0.3799(5) 0.067(3) Uani 1 1 d . . . . .
C20A C 0.3034(11) 0.8244(5) 0.3981(7) 0.093(5) Uani 1 1 d . . . . .
H20A H 0.252953 0.845596 0.379593 0.112 Uiso 1 1 calc R U . . .
C21A C 0.3647(12) 0.8495(5) 0.4426(6) 0.091(5) Uani 1 1 d . . . . .
C22A C 0.4376(10) 0.8194(4) 0.4684(5) 0.085(4) Uani 1 1 d . . . . .
H22A H 0.480817 0.837610 0.498386 0.102 Uiso 1 1 calc R U . . .
C23A C 0.1839(11) 0.7668(7) 0.3039(8) 0.123(6) Uani 1 1 d . . . . .
H23D H 0.144426 0.769853 0.332532 0.184 Uiso 1 1 calc R U . . .
H23E H 0.155911 0.744002 0.268501 0.184 Uiso 1 1 calc R U . . .
H23F H 0.197367 0.805993 0.290864 0.184 Uiso 1 1 calc R U . . .
C24A C 0.3520(16) 0.9130(5) 0.4597(8) 0.159(10) Uani 1 1 d . . . . .
H24D H 0.336053 0.936487 0.422780 0.238 Uiso 1 1 calc R U . . .
H24E H 0.406347 0.927922 0.484428 0.238 Uiso 1 1 calc R U . . .
H24F H 0.305382 0.915232 0.482980 0.238 Uiso 1 1 calc R U . . .
C25A C 0.2859(7) 0.6269(4) 0.4708(5) 0.061(3) Uani 1 1 d . . . . .
C26A C 0.2238(7) 0.6352(5) 0.5169(6) 0.069(3) Uani 1 1 d . . . . .
C27A C 0.2752(8) 0.6470(9) 0.5785(7) 0.132(8) Uani 1 1 d . . . . .
H27G H 0.307951 0.612000 0.594211 0.197 Uiso 1 1 calc R U . . .
H27H H 0.235632 0.657823 0.605434 0.197 Uiso 1 1 calc R U . . .
H27I H 0.315871 0.679182 0.576632 0.197 Uiso 1 1 calc R U . . .
C28A C 0.1653(12) 0.6871(7) 0.4924(9) 0.135(7) Uani 1 1 d . . . . .
H28G H 0.126518 0.676040 0.454281 0.202 Uiso 1 1 calc R U . . .
H28H H 0.201644 0.720141 0.485264 0.202 Uiso 1 1 calc R U . . .
H28I H 0.130251 0.698260 0.522204 0.202 Uiso 1 1 calc R U . . .
C29A C 0.1734(11) 0.5790(5) 0.5145(7) 0.112(6) Uani 1 1 d . . . . .
H29G H 0.213620 0.546847 0.528769 0.168 Uiso 1 1 calc R U . . .
H29H H 0.143453 0.571338 0.472615 0.168 Uiso 1 1 calc R U . . .
H29I H 0.130318 0.582159 0.540504 0.168 Uiso 1 1 calc R U . . .
C30A C 0.3132(9) 0.6540(5) 0.2055(6) 0.069(3) Uani 1 1 d . . . . .
C31A C 0.3314(10) 0.6623(5) 0.1424(5) 0.076(3) Uani 1 1 d . . . . .
C32A C 0.3951(9) 0.7107(6) 0.1426(6) 0.093(4) Uani 1 1 d . . . . .
H32D H 0.446160 0.704100 0.175089 0.139 Uiso 1 1 calc R U . . .
H32E H 0.367723 0.747872 0.149506 0.139 Uiso 1 1 calc R U . . .
H32F H 0.413399 0.711870 0.103443 0.139 Uiso 1 1 calc R U . . .
C33A C 0.3774(18) 0.6076(8) 0.1292(9) 0.183(12) Uani 1 1 d . . . . .
H33D H 0.410738 0.615559 0.097574 0.274 Uiso 1 1 calc R U . . .
H33E H 0.334357 0.576969 0.115338 0.274 Uiso 1 1 calc R U . . .
H33F H 0.417220 0.594637 0.166212 0.274 Uiso 1 1 calc R U . . .
C34A C 0.2505(12) 0.6721(8) 0.0965(7) 0.122(6) Uani 1 1 d . . . . .
H34D H 0.217629 0.704469 0.109531 0.184 Uiso 1 1 calc R U . . .
H34E H 0.214831 0.636645 0.092275 0.184 Uiso 1 1 calc R U . . .
H34F H 0.265658 0.681703 0.057456 0.184 Uiso 1 1 calc R U . . .
C35A C 0.1168(8) 0.5873(6) 0.3148(6) 0.083(4) Uani 1 1 d . . . . .
C36A C 0.0239(8) 0.5640(7) 0.3105(7) 0.087(4) Uani 1 1 d . . . . .
C37A C -0.0374(11) 0.6117(8) 0.3217(11) 0.149(8) Uani 1 1 d . . . . .
H37A H -0.096649 0.595944 0.316895 0.223 Uiso 1 1 calc R U . . .
H37B H -0.036922 0.643364 0.292479 0.223 Uiso 1 1 calc R U . . .
H37C H -0.018604 0.626814 0.363012 0.223 Uiso 1 1 calc R U . . .
C38A C 0.0228(11) 0.5152(10) 0.3537(10) 0.175(11) Uani 1 1 d . . . . .
H38A H -0.034806 0.496666 0.345361 0.262 Uiso 1 1 calc R U . . .
H38B H 0.035089 0.530350 0.395271 0.262 Uiso 1 1 calc R U . . .
H38C H 0.067272 0.486475 0.348924 0.262 Uiso 1 1 calc R U . . .
C39A C -0.0068(11) 0.5390(9) 0.2478(10) 0.142(7) Uani 1 1 d . . . . .
H39A H 0.039096 0.514269 0.237278 0.213 Uiso 1 1 calc R U . . .
H39B H -0.019929 0.570903 0.218354 0.213 Uiso 1 1 calc R U . . .
H39C H -0.059435 0.515632 0.247012 0.213 Uiso 1 1 calc R U . . .
DyB Dy 0.78331(10) 0.85414(4) 0.46173(5) 0.0533(3) Uani 0.888(5) 1 d . . P B 1
DyBA Dy 0.8337(10) 0.8400(3) 0.4877(6) 0.064(4) Uani 0.112(5) 1 d . . P B 2
ZnB Zn 0.75117(8) 0.72397(4) 0.39111(6) 0.0590(3) Uani 1 1 d . . . . .
O1B O 0.8276(5) 0.7551(3) 0.4660(4) 0.068(2) Uani 1 1 d . . . . .
O2B O 0.9090(5) 0.8174(3) 0.5515(4) 0.075(2) Uani 1 1 d . . . . .
O3B O 0.6769(5) 0.7924(3) 0.4081(3) 0.0581(18) Uani 1 1 d . . . . .
O4B O 0.6334(6) 0.8971(3) 0.4174(3) 0.072(2) Uani 1 1 d . . . . .
O5B O 0.8125(5) 0.7510(3) 0.3281(3) 0.073(2) Uani 1 1 d . . . . .
O6B O 0.8292(6) 0.8396(3) 0.3704(4) 0.084(3) Uani 1 1 d . . . . .
O7B O 0.7084(5) 0.8234(3) 0.5412(3) 0.067(2) Uani 1 1 d . . . . .
O8B O 0.7637(6) 0.9114(3) 0.5476(3) 0.073(2) Uani 1 1 d . . . . .
O9B O 0.7931(6) 0.9515(3) 0.4228(4) 0.077(2) Uani 1 1 d . . . . .
O10B O 0.9133(6) 0.9134(4) 0.4712(4) 0.082(2) Uani 1 1 d . . . . .
N1B N 0.7874(6) 0.6402(3) 0.4174(4) 0.054(2) Uani 1 1 d . . . . .
N2B N 0.6409(6) 0.6817(3) 0.3509(4) 0.057(2) Uani 1 1 d . . . . .
C1B C 0.8830(7) 0.7269(4) 0.5064(5) 0.059(3) Uani 1 1 d . . . . .
C2B C 0.9302(8) 0.7590(5) 0.5550(5) 0.067(3) Uani 1 1 d . . . . .
C3B C 0.9860(8) 0.7324(5) 0.5988(5) 0.069(3) Uani 1 1 d . . . . .
H3B H 1.015852 0.755845 0.631270 0.083 Uiso 1 1 calc R U . . .
C4B C 1.0044(7) 0.6718(6) 0.6009(5) 0.070(3) Uani 1 1 d . . . . .
C5B C 0.9549(7) 0.6394(5) 0.5526(5) 0.063(3) Uani 1 1 d . . . . .
H5B H 0.961930 0.598222 0.552070 0.076 Uiso 1 1 calc R U . . .
C6B C 0.8976(7) 0.6653(5) 0.5068(5) 0.061(3) Uani 1 1 d . . . . .
C7B C 0.9537(7) 0.8543(4) 0.5947(5) 0.064(3) Uani 1 1 d . . . . .
H7BA H 0.948235 0.840713 0.635081 0.096 Uiso 1 1 calc R U . B 2
H7BB H 0.929472 0.893762 0.587997 0.096 Uiso 1 1 calc R U . B 2
H7BC H 1.015412 0.854914 0.591929 0.096 Uiso 1 1 calc R U . B 2
C8B C 1.0678(9) 0.6437(6) 0.6507(6) 0.088(4) Uani 1 1 d . . . . .
H8BA H 1.122543 0.665793 0.658144 0.132 Uiso 1 1 calc R U . . .
H8BB H 1.079050 0.603621 0.638988 0.132 Uiso 1 1 calc R U . . .
H8BC H 1.043731 0.643027 0.687655 0.132 Uiso 1 1 calc R U . . .
C9B C 0.8440(7) 0.6256(4) 0.4627(5) 0.056(3) Uani 1 1 d . . . . .
H9B H 0.853357 0.584975 0.469390 0.068 Uiso 1 1 calc R U . . .
C10B C 0.7352(7) 0.5987(4) 0.3790(4) 0.051(2) Uani 1 1 d . . . . .
C11B C 0.7568(7) 0.5414(4) 0.3733(5) 0.057(2) Uani 1 1 d . . . . .
H11B H 0.810090 0.526584 0.396053 0.068 Uiso 1 1 calc R U . . .
C12B C 0.7012(8) 0.5050(4) 0.3344(5) 0.064(3) Uani 1 1 d . . . . .
H12B H 0.716978 0.465370 0.330119 0.077 Uiso 1 1 calc R U . . .
C13B C 0.6236(8) 0.5256(4) 0.3021(5) 0.062(3) Uani 1 1 d . . . . .
H13B H 0.585838 0.499613 0.276284 0.075 Uiso 1 1 calc R U . . .
C14B C 0.5984(7) 0.5834(4) 0.3060(4) 0.056(2) Uani 1 1 d . . . . .
H14B H 0.544286 0.597253 0.283503 0.068 Uiso 1 1 calc R U . . .
C15B C 0.6568(7) 0.6211(4) 0.3449(4) 0.052(2) Uani 1 1 d . . . . .
C16B C 0.5679(7) 0.7065(4) 0.3282(4) 0.054(2) Uani 1 1 d . . . . .
H16B H 0.522503 0.682748 0.306375 0.065 Uiso 1 1 calc R U . . .
C17B C 0.5501(8) 0.7686(4) 0.3336(4) 0.059(3) Uani 1 1 d . . . . .
C18B C 0.6040(8) 0.8064(4) 0.3717(5) 0.057(3) Uani 1 1 d . . . . .
C19B C 0.5758(8) 0.8656(4) 0.3749(5) 0.063(3) Uani 1 1 d . . . . .
C20B C 0.5014(8) 0.8849(4) 0.3389(5) 0.068(3) Uani 1 1 d . . . . .
H20B H 0.486139 0.924859 0.340647 0.082 Uiso 1 1 calc R U . . .
C21B C 0.4461(8) 0.8477(4) 0.2989(5) 0.064(3) Uani 1 1 d . . . . .
C22B C 0.4714(8) 0.7896(4) 0.2985(5) 0.062(3) Uani 1 1 d . . . . .
H22B H 0.433994 0.762861 0.273393 0.074 Uiso 1 1 calc R U . . .
C23B C 0.6086(11) 0.9557(5) 0.4293(7) 0.097(5) Uani 1 1 d . . . . .
H23A H 0.604033 0.979235 0.392455 0.146 Uiso 1 1 calc R U . . .
H23B H 0.652831 0.972683 0.461784 0.146 Uiso 1 1 calc R U . . .
H23C H 0.552179 0.955110 0.441887 0.146 Uiso 1 1 calc R U . . .
C24B C 0.3654(10) 0.8698(5) 0.2595(6) 0.087(4) Uani 1 1 d . . . . .
H24A H 0.379235 0.885882 0.222137 0.131 Uiso 1 1 calc R U . . .
H24B H 0.339934 0.900501 0.280877 0.131 Uiso 1 1 calc R U . . .
H24C H 0.323495 0.837806 0.249309 0.131 Uiso 1 1 calc R U . . .
C25B C 0.8410(7) 0.8026(4) 0.3312(5) 0.066(3) Uani 1 1 d . . . . .
C26B C 0.8948(8) 0.8190(4) 0.2859(5) 0.068(3) Uani 1 1 d . . . . .
C30B C 0.7232(8) 0.8711(4) 0.5691(5) 0.063(3) Uani 1 1 d . . . . .
C31B C 0.6907(8) 0.8818(4) 0.6283(5) 0.064(3) Uani 1 1 d . . . . .
C32B C 0.6463(11) 0.8277(5) 0.6466(6) 0.096(5) Uani 1 1 d . . . . .
H32A H 0.686203 0.794411 0.649566 0.143 Uiso 1 1 calc R U . . .
H32B H 0.593594 0.819494 0.616077 0.143 Uiso 1 1 calc R U . . .
H32C H 0.630319 0.834307 0.686054 0.143 Uiso 1 1 calc R U . . .
C33B C 0.6237(11) 0.9303(7) 0.6150(7) 0.113(6) Uani 1 1 d . . . . .
H33A H 0.600980 0.938881 0.651610 0.169 Uiso 1 1 calc R U . . .
H33B H 0.575682 0.918046 0.582407 0.169 Uiso 1 1 calc R U . . .
H33C H 0.651121 0.965416 0.602344 0.169 Uiso 1 1 calc R U . . .
C34B C 0.7651(13) 0.8988(9) 0.6782(6) 0.142(8) Uani 1 1 d . . . . .
H34A H 0.744443 0.902094 0.716427 0.213 Uiso 1 1 calc R U . . .
H34B H 0.788720 0.936478 0.668511 0.213 Uiso 1 1 calc R U . . .
H34C H 0.810915 0.869057 0.682358 0.213 Uiso 1 1 calc R U . . .
C35B C 0.8736(9) 0.9535(5) 0.4388(5) 0.070(3) Uani 1 1 d . . . . .
C36B C 0.9245(10) 1.0035(6) 0.4195(6) 0.100(5) Uani 1 1 d . . . . .
H36A H 0.883957 1.032269 0.397187 0.151 Uiso 1 1 calc R U . . .
H36B H 0.962760 0.988853 0.393296 0.151 Uiso 1 1 calc R U . . .
H36C H 0.959800 1.021981 0.455486 0.151 Uiso 1 1 calc R U . . .
O100 O 0.8498(7) 1.0160(5) 0.5956(5) 0.075(4) Uani 0.5 1 d G . P . .
H10A H 0.845714 1.047427 0.573579 0.113 Uiso 0.5 1 d G U P . .
H10B H 0.812458 0.991952 0.574667 0.113 Uiso 0.5 1 d G U P . .
O200 O 0.8185(12) 1.0679(8) 0.6990(6) 0.125(8) Uani 0.5 1 d G . P . .
H20D H 0.818939 1.059888 0.661258 0.187 Uiso 0.5 1 d G U P . .
O300 O 1.0808(9) 0.8938(7) 0.4725(7) 0.087(5) Uani 0.5 1 d G . P . .
H30C H 1.016800 0.909100 0.464000 0.130 Uiso 0.5 1 d . U P . .
H30F H 1.100269 0.903543 0.448030 0.130 Uiso 0.5 1 d . U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Zn Zn 0.2839 1.4301 '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
_geom_angle_publ_flag
C26B C27B H27A 109.5 . . ?
C26B C27B H27B 109.5 . . ?
H27A C27B H27B 109.5 . . ?
C26B C27B H27C 109.5 . . ?
H27A C27B H27C 109.5 . . ?
H27B C27B H27C 109.5 . . ?
C26B C28C H28A 109.5 . . ?
C26B C28C H28B 109.5 . . ?
H28A C28C H28B 109.5 . . ?
C26B C28C H28C 109.5 . . ?
H28A C28C H28C 109.5 . . ?
H28B C28C H28C 109.5 . . ?
C26B C28B H28D 109.5 . . ?
C26B C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C26B C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C26B C29B H29A 109.5 . . ?
C26B C29B H29B 109.5 . . ?
H29A C29B H29B 109.5 . . ?
C26B C29B H29C 109.5 . . ?
H29A C29B H29C 109.5 . . ?
H29B C29B H29C 109.5 . . ?
C26B C29C H29D 109.5 . . ?
C26B C29C H29E 109.5 . . ?
H29D C29C H29E 109.5 . . ?
C26B C29C H29F 109.5 . . ?
H29D C29C H29F 109.5 . . ?
H29E C29C H29F 109.5 . . ?
C26B C27C H27D 109.5 . . ?
C26B C27C H27E 109.5 . . ?
H27D C27C H27E 109.5 . . ?
C26B C27C H27F 109.5 . . ?
H27D C27C H27F 109.5 . . ?
H27E C27C H27F 109.5 . . ?
O6A DyA O2A 83.3(3) . . ?
O6A DyA O8A 148.9(3) . . ?
O2A DyA O8A 127.0(3) . . ?
O6A DyA O3A 73.0(3) . . ?
O2A DyA O3A 66.4(2) . . ?
O8A DyA O3A 121.8(3) . . ?
O6A DyA O9A 74.7(3) . . ?
O2A DyA O9A 144.4(2) . . ?
O8A DyA O9A 75.5(3) . . ?
O3A DyA O9A 129.7(3) . . ?
O6A DyA O7A 149.5(3) . . ?
O2A DyA O7A 83.5(2) . . ?
O8A DyA O7A 54.4(3) . . ?
O3A DyA O7A 76.5(2) . . ?
O9A DyA O7A 128.3(3) . . ?
O6A DyA O10A 72.4(4) . . ?
O2A DyA O10A 92.8(3) . . ?
O8A DyA O10A 96.8(3) . . ?
O3A DyA O10A 141.4(3) . . ?
O9A DyA O10A 54.2(3) . . ?
O7A DyA O10A 135.7(3) . . ?
O6A DyA O4A 79.6(3) . . ?
O2A DyA O4A 127.7(3) . . ?
O8A DyA O4A 84.8(3) . . ?
O3A DyA O4A 61.3(3) . . ?
O9A DyA O4A 75.7(3) . . ?
O7A DyA O4A 86.9(2) . . ?
O10A DyA O4A 127.1(3) . . ?
O6A DyA O1A 121.3(3) . . ?
O2A DyA O1A 60.9(2) . . ?
O8A DyA O1A 76.5(3) . . ?
O3A DyA O1A 121.7(2) . . ?
O9A DyA O1A 107.9(3) . . ?
O7A DyA O1A 74.7(2) . . ?
O10A DyA O1A 65.3(3) . . ?
O4A DyA O1A 159.1(2) . . ?
O6A DyA C30A 166.8(3) . . ?
O2A DyA C30A 105.2(3) . . ?
O8A DyA C30A 26.9(3) . . ?
O3A DyA C30A 100.8(3) . . ?
O9A DyA C30A 102.1(4) . . ?
O7A DyA C30A 27.6(3) . . ?
O10A DyA C30A 116.4(4) . . ?
O4A DyA C30A 87.2(3) . . ?
O1A DyA C30A 71.9(3) . . ?
O6A DyA C35A 71.2(4) . . ?
O2A DyA C35A 119.1(3) . . ?
O8A DyA C35A 85.9(3) . . ?
O3A DyA C35A 142.6(3) . . ?
O9A DyA C35A 26.9(3) . . ?
O7A DyA C35A 138.8(3) . . ?
O10A DyA C35A 27.3(3) . . ?
O4A DyA C35A 101.3(4) . . ?
O1A DyA C35A 86.8(3) . . ?
C30A DyA C35A 111.8(4) . . ?
O6A DyA ZnA 61.1(2) . . ?
O2A DyA ZnA 35.64(17) . . ?
O8A DyA ZnA 147.50(19) . . ?
O3A DyA ZnA 36.61(15) . . ?
O9A DyA ZnA 135.8(2) . . ?
O7A DyA ZnA 93.1(2) . . ?
O10A DyA ZnA 109.2(2) . . ?
O4A DyA ZnA 94.3(2) . . ?
O1A DyA ZnA 96.52(17) . . ?
C30A DyA ZnA 120.6(3) . . ?
C35A DyA ZnA 125.8(3) . . ?
O5A ZnA O2A 107.1(3) . . ?
O5A ZnA O3A 101.5(3) . . ?
O2A ZnA O3A 79.9(3) . . ?
O5A ZnA N1A 112.2(3) . . ?
O2A ZnA N1A 90.4(3) . . ?
O3A ZnA N1A 146.3(3) . . ?
O5A ZnA N2A 105.1(3) . . ?
O2A ZnA N2A 147.5(3) . . ?
O3A ZnA N2A 89.2(3) . . ?
N1A ZnA N2A 81.9(3) . . ?
O5A ZnA DyA 89.5(2) . . ?
O2A ZnA DyA 42.73(18) . . ?
O3A ZnA DyA 44.6(2) . . ?
N1A ZnA DyA 133.0(2) . . ?
N2A ZnA DyA 133.8(2) . . ?
C2A O1A C7A 118.8(10) . . ?
C2A O1A DyA 115.0(6) . . ?
C7A O1A DyA 120.4(9) . . ?
C1A O2A ZnA 125.7(7) . . ?
C1A O2A DyA 130.5(7) . . ?
ZnA O2A DyA 101.6(3) . . ?
C18A O3A ZnA 117.1(7) . . ?
C18A O3A DyA 126.9(7) . . ?
ZnA O3A DyA 98.7(3) . . ?
C19A O4A C23A 119.0(11) . . ?
C19A O4A DyA 117.7(6) . . ?
C23A O4A DyA 121.0(10) . . ?
C25A O5A ZnA 117.3(6) . . ?
C25A O6A DyA 145.3(7) . . ?
C30A O7A DyA 92.0(6) . . ?
C30A O8A DyA 93.7(8) . . ?
C35A O9A DyA 93.3(7) . . ?
C35A O10A DyA 91.9(8) . . ?
C9A N1A C10A 123.7(8) . . ?
C9A N1A ZnA 124.7(7) . . ?
C10A N1A ZnA 111.5(5) . . ?
C16A N2A C15A 124.9(9) . . ?
C16A N2A ZnA 122.8(8) . . ?
C15A N2A ZnA 111.6(5) . . ?
O2A C1A C6A 125.8(9) . . ?
O2A C1A C2A 115.8(10) . . ?
C6A C1A C2A 118.3(9) . . ?
O1A C2A C3A 124.5(11) . . ?
O1A C2A C1A 114.0(9) . . ?
C3A C2A C1A 121.5(11) . . ?
C4A C3A C2A 119.8(10) . . ?
C4A C3A H3A 120.1 . . ?
C2A C3A H3A 120.1 . . ?
C5A C4A C3A 119.3(9) . . ?
C5A C4A C8A 120.6(12) . . ?
C3A C4A C8A 120.1(11) . . ?
C4A C5A C6A 121.8(10) . . ?
C4A C5A H5A 119.1 . . ?
C6A C5A H5A 119.1 . . ?
C1A C6A C5A 118.6(10) . . ?
C1A C6A C9A 123.1(8) . . ?
C5A C6A C9A 118.2(9) . . ?
O1A C7A H7AA 109.5 . . ?
O1A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
O1A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C4A C8A H8AA 109.5 . . ?
C4A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C4A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
N1A C9A C6A 126.3(9) . . ?
N1A C9A H9A 116.9 . . ?
C6A C9A H9A 116.9 . . ?
C11A C10A C15A 119.8(10) . . ?
C11A C10A N1A 124.2(8) . . ?
C15A C10A N1A 115.9(9) . . ?
C12A C11A C10A 119.7(10) . . ?
C12A C11A H11A 120.1 . . ?
C10A C11A H11A 120.1 . . ?
C11A C12A C13A 119.2(12) . . ?
C11A C12A H12A 120.4 . . ?
C13A C12A H12A 120.4 . . ?
C14A C13A C12A 122.5(12) . . ?
C14A C13A H13A 118.8 . . ?
C12A C13A H13A 118.8 . . ?
C13A C14A C15A 119.3(10) . . ?
C13A C14A H14A 120.4 . . ?
C15A C14A H14A 120.4 . . ?
C14A C15A N2A 124.2(9) . . ?
C14A C15A C10A 119.3(10) . . ?
N2A C15A C10A 116.4(9) . . ?
N2A C16A C17A 123.0(10) . . ?
N2A C16A H16A 118.5 . . ?
C17A C16A H16A 118.5 . . ?
C18A C17A C22A 119.9(12) . . ?
C18A C17A C16A 124.8(9) . . ?
C22A C17A C16A 115.3(12) . . ?
O3A C18A C17A 126.0(10) . . ?
O3A C18A C19A 115.4(12) . . ?
C17A C18A C19A 118.6(10) . . ?
O4A C19A C18A 114.4(10) . . ?
O4A C19A C20A 124.0(12) . . ?
C18A C19A C20A 121.3(14) . . ?
C21A C20A C19A 119.4(13) . . ?
C21A C20A H20A 120.3 . . ?
C19A C20A H20A 120.3 . . ?
C22A C21A C20A 120.2(12) . . ?
C22A C21A C24A 121.1(16) . . ?
C20A C21A C24A 118.6(15) . . ?
C21A C22A C17A 120.4(14) . . ?
C21A C22A H22A 119.8 . . ?
C17A C22A H22A 119.8 . . ?
O4A C23A H23D 109.5 . . ?
O4A C23A H23E 109.5 . . ?
H23D C23A H23E 109.5 . . ?
O4A C23A H23F 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C21A C24A H24D 109.5 . . ?
C21A C24A H24E 109.5 . . ?
H24D C24A H24E 109.5 . . ?
C21A C24A H24F 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
O6A C25A O5A 125.1(9) . . ?
O6A C25A C26A 118.2(10) . . ?
O5A C25A C26A 116.6(10) . . ?
C27A C26A C29A 111.9(13) . . ?
C27A C26A C28A 111.4(13) . . ?
C29A C26A C28A 112.3(13) . . ?
C27A C26A C25A 110.4(9) . . ?
C29A C26A C25A 105.2(8) . . ?
C28A C26A C25A 105.2(10) . . ?
C26A C27A H27G 109.5 . . ?
C26A C27A H27H 109.5 . . ?
H27G C27A H27H 109.5 . . ?
C26A C27A H27I 109.5 . . ?
H27G C27A H27I 109.5 . . ?
H27H C27A H27I 109.5 . . ?
C26A C28A H28G 109.5 . . ?
C26A C28A H28H 109.5 . . ?
H28G C28A H28H 109.5 . . ?
C26A C28A H28I 109.5 . . ?
H28G C28A H28I 109.5 . . ?
H28H C28A H28I 109.5 . . ?
C26A C29A H29G 109.5 . . ?
C26A C29A H29H 109.5 . . ?
H29G C29A H29H 109.5 . . ?
C26A C29A H29I 109.5 . . ?
H29G C29A H29I 109.5 . . ?
H29H C29A H29I 109.5 . . ?
O8A C30A O7A 119.4(10) . . ?
O8A C30A C31A 121.5(12) . . ?
O7A C30A C31A 119.1(11) . . ?
O8A C30A DyA 59.4(6) . . ?
O7A C30A DyA 60.4(5) . . ?
C31A C30A DyA 175.0(8) . . ?
C34A C31A C32A 111.6(12) . . ?
C34A C31A C33A 111.4(15) . . ?
C32A C31A C33A 105.9(14) . . ?
C34A C31A C30A 112.2(12) . . ?
C32A C31A C30A 110.0(10) . . ?
C33A C31A C30A 105.5(11) . . ?
C31A C32A H32D 109.5 . . ?
C31A C32A H32E 109.5 . . ?
H32D C32A H32E 109.5 . . ?
C31A C32A H32F 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 109.5 . . ?
C31A C33A H33D 109.5 . . ?
C31A C33A H33E 109.5 . . ?
H33D C33A H33E 109.5 . . ?
C31A C33A H33F 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C31A C34A H34D 109.5 . . ?
C31A C34A H34E 109.5 . . ?
H34D C34A H34E 109.5 . . ?
C31A C34A H34F 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
O9A C35A O10A 120.6(12) . . ?
O9A C35A C36A 120.1(12) . . ?
O10A C35A C36A 119.2(12) . . ?
O9A C35A DyA 59.8(6) . . ?
O10A C35A DyA 60.8(6) . . ?
C36A C35A DyA 178.5(10) . . ?
C38A C36A C39A 106.5(17) . . ?
C38A C36A C37A 110.2(15) . . ?
C39A C36A C37A 109.7(15) . . ?
C38A C36A C35A 110.9(12) . . ?
C39A C36A C35A 108.2(12) . . ?
C37A C36A C35A 111.3(13) . . ?
C36A C37A H37A 109.5 . . ?
C36A C37A H37B 109.5 . . ?
H37A C37A H37B 109.5 . . ?
C36A C37A H37C 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C36A C38A H38A 109.5 . . ?
C36A C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
C36A C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
C36A C39A H39A 109.5 . . ?
C36A C39A H39B 109.5 . . ?
H39A C39A H39B 109.5 . . ?
C36A C39A H39C 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?
O3B DyB O6B 76.8(2) . . ?
O3B DyB O1B 67.2(3) . . ?
O6B DyB O1B 76.1(3) . . ?
O3B DyB O8B 123.7(2) . . ?
O6B DyB O8B 153.8(2) . . ?
O1B DyB O8B 125.0(3) . . ?
O3B DyB O9B 117.7(3) . . ?
O6B DyB O9B 76.1(3) . . ?
O1B DyB O9B 149.4(3) . . ?
O8B DyB O9B 79.3(2) . . ?
O3B DyB O10B 152.6(2) . . ?
O6B DyB O10B 75.9(3) . . ?
O1B DyB O10B 107.4(3) . . ?
O8B DyB O10B 82.2(3) . . ?
O9B DyB O10B 53.1(3) . . ?
O3B DyB O7B 78.7(2) . . ?
O6B DyB O7B 152.3(2) . . ?
O1B DyB O7B 82.7(2) . . ?
O8B DyB O7B 53.8(2) . . ?
O9B DyB O7B 127.6(3) . . ?
O10B DyB O7B 128.2(3) . . ?
O3B DyB O4B 61.7(2) . . ?
O6B DyB O4B 97.6(3) . . ?
O1B DyB O4B 128.5(2) . . ?
O8B DyB O4B 81.3(3) . . ?
O9B DyB O4B 67.8(3) . . ?
O10B DyB O4B 120.6(3) . . ?
O7B DyB O4B 81.8(3) . . ?
O3B DyB O2B 123.0(2) . . ?
O6B DyB O2B 108.2(3) . . ?
O1B DyB O2B 60.0(3) . . ?
O8B DyB O2B 75.9(3) . . ?
O9B DyB O2B 118.5(3) . . ?
O10B DyB O2B 68.3(3) . . ?
O7B DyB O2B 75.0(3) . . ?
O4B DyB O2B 154.2(2) . . ?
O3B DyB C35B 137.6(3) . . ?
O6B DyB C35B 72.3(3) . . ?
O1B DyB C35B 129.5(3) . . ?
O8B DyB C35B 81.6(3) . . ?
O9B DyB C35B 26.4(3) . . ?
O10B DyB C35B 26.8(3) . . ?
O7B DyB C35B 135.4(3) . . ?
O4B DyB C35B 94.2(3) . . ?
O2B DyB C35B 94.3(3) . . ?
O3B DyB C30B 101.7(3) . . ?
O6B DyB C30B 178.3(3) . . ?
O1B DyB C30B 104.2(3) . . ?
O8B DyB C30B 27.0(2) . . ?
O9B DyB C30B 104.1(3) . . ?
O10B DyB C30B 105.6(3) . . ?
O7B DyB C30B 26.8(2) . . ?
O4B DyB C30B 80.9(3) . . ?
O2B DyB C30B 73.3(3) . . ?
C35B DyB C30B 108.6(3) . . ?
O3B DyB ZnB 36.33(18) . . ?
O6B DyB ZnB 60.07(16) . . ?
O1B DyB ZnB 35.5(2) . . ?
O8B DyB ZnB 146.14(15) . . ?
O9B DyB ZnB 131.43(19) . . ?
O10B DyB ZnB 125.6(2) . . ?
O7B DyB ZnB 92.39(14) . . ?
O4B DyB ZnB 96.79(16) . . ?
O2B DyB ZnB 95.48(16) . . ?
C35B DyB ZnB 132.1(2) . . ?
C30B DyB ZnB 119.14(19) . . ?
O2B DyBA O1B 84.4(6) . . ?
O2B DyBA O10B 93.2(7) . . ?
O1B DyBA O10B 135.3(5) . . ?
O2B DyBA O8B 92.8(5) . . ?
O1B DyBA O8B 139.5(4) . . ?
O10B DyBA O8B 85.1(3) . . ?
O2B DyBA O7B 91.4(4) . . ?
O1B DyBA O7B 88.1(3) . . ?
O10B DyBA O7B 136.6(4) . . ?
O8B DyBA O7B 51.5(2) . . ?
O2B DyBA O6B 134.7(6) . . ?
O1B DyBA O6B 76.1(4) . . ?
O10B DyBA O6B 74.4(3) . . ?
O8B DyBA O6B 128.1(7) . . ?
O7B DyBA O6B 127.6(7) . . ?
O2B DyBA C2B 27.4(4) . . ?
O1B DyBA C2B 57.0(5) . . ?
O10B DyBA C2B 111.0(8) . . ?
O8B DyBA C2B 114.1(5) . . ?
O7B DyBA C2B 91.7(4) . . ?
O6B DyBA C2B 117.7(4) . . ?
O2B DyBA C1B 57.5(5) . . ?
O1B DyBA C1B 26.9(4) . . ?
O10B DyBA C1B 127.7(7) . . ?
O8B DyBA C1B 133.0(4) . . ?
O7B DyBA C1B 90.4(3) . . ?
O6B DyBA C1B 95.8(3) . . ?
C2B DyBA C1B 30.1(4) . . ?
O2B DyBA C7B 24.2(4) . . ?
O1B DyBA C7B 108.6(8) . . ?
O10B DyBA C7B 75.1(5) . . ?
O8B DyBA C7B 75.4(4) . . ?
O7B DyBA C7B 93.5(4) . . ?
O6B DyBA C7B 138.9(5) . . ?
C2B DyBA C7B 51.6(5) . . ?
C1B DyBA C7B 81.7(6) . . ?
O2B DyBA C30B 86.7(4) . . ?
O1B DyBA C30B 113.2(3) . . ?
O10B DyBA C30B 111.1(4) . . ?
O8B DyBA C30B 26.4(2) . . ?
O7B DyBA C30B 26.2(2) . . ?
O6B DyBA C30B 138.6(8) . . ?
C2B DyBA C30B 99.0(4) . . ?
C1B DyBA C30B 109.2(4) . . ?
C7B DyBA C30B 78.7(4) . . ?
O2B DyBA C35B 114.4(6) . . ?
O1B DyBA C35B 140.4(4) . . ?
O10B DyBA C35B 22.7(4) . . ?
O8B DyBA C35B 76.9(3) . . ?
O7B DyBA C35B 123.7(5) . . ?
O6B DyBA C35B 65.9(3) . . ?
C2B DyBA C35B 133.6(7) . . ?
C1B DyBA C35B 145.9(5) . . ?
C7B DyBA C35B 93.6(4) . . ?
C30B DyBA C35B 102.8(4) . . ?
O2B DyBA ZnB 112.8(4) . . ?
O1B DyBA ZnB 28.4(4) . . ?
O10B DyBA ZnB 129.3(4) . . ?
O8B DyBA ZnB 132.9(5) . . ?
O7B DyBA ZnB 87.5(3) . . ?
O6B DyBA ZnB 56.1(2) . . ?
C2B DyBA ZnB 85.4(3) . . ?
C1B DyBA ZnB 55.3(3) . . ?
C7B DyBA ZnB 137.0(5) . . ?
C30B DyBA ZnB 113.0(4) . . ?
C35B DyBA ZnB 121.1(5) . . ?
O5B ZnB O1B 101.5(3) . . ?
O5B ZnB N2B 108.9(3) . . ?
O1B ZnB N2B 149.6(3) . . ?
O5B ZnB O3B 105.8(3) . . ?
O1B ZnB O3B 80.5(3) . . ?
N2B ZnB O3B 89.1(3) . . ?
O5B ZnB N1B 110.8(3) . . ?
O1B ZnB N1B 90.4(3) . . ?
N2B ZnB N1B 81.0(4) . . ?
O3B ZnB N1B 143.3(3) . . ?
O5B ZnB DyB 90.71(19) . . ?
O1B ZnB DyB 43.7(2) . . ?
N2B ZnB DyB 131.8(2) . . ?
O3B ZnB DyB 42.8(2) . . ?
N1B ZnB DyB 133.2(3) . . ?
O5B ZnB DyBA 92.0(2) . . ?
O1B ZnB DyBA 28.6(4) . . ?
N2B ZnB DyBA 144.4(3) . . ?
O3B ZnB DyBA 56.9(3) . . ?
N1B ZnB DyBA 118.9(4) . . ?
C1B O1B ZnB 128.1(6) . . ?
C1B O1B DyBA 108.7(8) . . ?
ZnB O1B DyBA 123.0(7) . . ?
C1B O1B DyB 131.0(6) . . ?
ZnB O1B DyB 100.8(4) . . ?
C7B O2B C2B 118.5(10) . . ?
C7B O2B DyBA 124.4(7) . . ?
C2B O2B DyBA 116.9(7) . . ?
C7B O2B DyB 122.5(7) . . ?
C2B O2B DyB 119.0(7) . . ?
C18B O3B ZnB 122.2(6) . . ?
C18B O3B DyB 128.4(6) . . ?
ZnB O3B DyB 100.9(3) . . ?
C19B O4B C23B 117.0(10) . . ?
C19B O4B DyB 119.4(6) . . ?
C23B O4B DyB 123.2(8) . . ?
C25B O5B ZnB 118.3(6) . . ?
C25B O6B DyB 145.6(6) . . ?
C25B O6B DyBA 136.5(8) . . ?
C30B O7B DyB 92.8(5) . . ?
C30B O7B DyBA 91.4(6) . . ?
C30B O8B DyB 93.6(6) . . ?
C30B O8B DyBA 92.0(6) . . ?
C35B O9B DyB 93.7(7) . . ?
C35B O10B DyBA 115.6(9) . . ?
C35B O10B DyB 92.9(7) . . ?
C9B N1B C10B 122.7(8) . . ?
C9B N1B ZnB 126.3(7) . . ?
C10B N1B ZnB 110.9(7) . . ?
C16B N2B C15B 123.5(9) . . ?
C16B N2B ZnB 125.1(6) . . ?
C15B N2B ZnB 111.1(7) . . ?
O1B C1B C2B 117.3(10) . . ?
O1B C1B C6B 125.5(10) . . ?
C2B C1B C6B 117.1(12) . . ?
O1B C1B DyBA 44.4(6) . . ?
C2B C1B DyBA 73.0(7) . . ?
C6B C1B DyBA 169.8(10) . . ?
C3B C2B O2B 127.1(11) . . ?
C3B C2B C1B 120.3(11) . . ?
O2B C2B C1B 112.6(11) . . ?
C3B C2B DyBA 162.8(9) . . ?
O2B C2B DyBA 35.7(5) . . ?
C1B C2B DyBA 76.9(8) . . ?
C2B C3B C4B 125.0(12) . . ?
C2B C3B H3B 117.5 . . ?
C4B C3B H3B 117.5 . . ?
C5B C4B C3B 114.4(12) . . ?
C5B C4B C8B 122.1(12) . . ?
C3B C4B C8B 123.5(12) . . ?
C6B C5B C4B 122.0(11) . . ?
C6B C5B H5B 119.0 . . ?
C4B C5B H5B 119.0 . . ?
C5B C6B C1B 121.1(11) . . ?
C5B C6B C9B 116.0(10) . . ?
C1B C6B C9B 122.4(11) . . ?
O2B C7B DyBA 31.4(5) . . ?
O2B C7B H7BA 109.5 . . ?
DyBA C7B H7BA 126.9 . . ?
O2B C7B H7BB 109.5 . . ?
DyBA C7B H7BB 78.5 . . ?
H7BA C7B H7BB 109.5 . . ?
O2B C7B H7BC 109.5 . . ?
DyBA C7B H7BC 117.0 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C4B C8B H8BA 109.5 . . ?
C4B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C4B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
N1B C9B C6B 126.5(10) . . ?
N1B C9B H9B 116.7 . . ?
C6B C9B H9B 116.7 . . ?
C11B C10B C15B 120.2(9) . . ?
C11B C10B N1B 125.1(10) . . ?
C15B C10B N1B 114.7(8) . . ?
C10B C11B C12B 120.2(10) . . ?
C10B C11B H11B 119.9 . . ?
C12B C11B H11B 119.9 . . ?
C13B C12B C11B 120.4(9) . . ?
C13B C12B H12B 119.8 . . ?
C11B C12B H12B 119.8 . . ?
C12B C13B C14B 121.9(10) . . ?
C12B C13B H13B 119.1 . . ?
C14B C13B H13B 119.1 . . ?
C13B C14B C15B 117.5(11) . . ?
C13B C14B H14B 121.2 . . ?
C15B C14B H14B 121.2 . . ?
C10B C15B N2B 117.0(9) . . ?
C10B C15B C14B 119.7(8) . . ?
N2B C15B C14B 123.2(10) . . ?
N2B C16B C17B 124.5(10) . . ?
N2B C16B H16B 117.7 . . ?
C17B C16B H16B 117.7 . . ?
C18B C17B C22B 119.4(10) . . ?
C18B C17B C16B 124.1(11) . . ?
C22B C17B C16B 116.5(10) . . ?
O3B C18B C17B 125.7(9) . . ?
O3B C18B C19B 116.1(10) . . ?
C17B C18B C19B 118.0(11) . . ?
C20B C19B O4B 127.6(9) . . ?
C20B C19B C18B 121.0(10) . . ?
O4B C19B C18B 111.4(11) . . ?
C19B C20B C21B 122.2(10) . . ?
C19B C20B H20B 118.9 . . ?
C21B C20B H20B 118.9 . . ?
C22B C21B C20B 116.4(11) . . ?
C22B C21B C24B 122.3(11) . . ?
C20B C21B C24B 121.2(10) . . ?
C21B C22B C17B 122.8(11) . . ?
C21B C22B H22B 118.6 . . ?
C17B C22B H22B 118.6 . . ?
O4B C23B H23A 109.5 . . ?
O4B C23B H23B 109.5 . . ?
H23A C23B H23B 109.5 . . ?
O4B C23B H23C 109.5 . . ?
H23A C23B H23C 109.5 . . ?
H23B C23B H23C 109.5 . . ?
C21B C24B H24A 109.5 . . ?
C21B C24B H24B 109.5 . . ?
H24A C24B H24B 109.5 . . ?
C21B C24B H24C 109.5 . . ?
H24A C24B H24C 109.5 . . ?
H24B C24B H24C 109.5 . . ?
O5B C25B O6B 124.7(9) . . ?
O5B C25B C26B 116.1(9) . . ?
O6B C25B C26B 119.2(9) . . ?
C28C C26B C27C 105(2) . . ?
C28C C26B C25B 115.1(13) . . ?
C27C C26B C25B 110.0(14) . . ?
C25B C26B C27B 111.9(14) . . ?
C25B C26B C29B 105.1(14) . . ?
C27B C26B C29B 106.4(19) . . ?
C25B C26B C28B 110.3(13) . . ?
C27B C26B C28B 110(2) . . ?
C29B C26B C28B 112.9(18) . . ?
C28C C26B C29C 112.8(19) . . ?
C27C C26B C29C 101.8(18) . . ?
C25B C26B C29C 111.4(14) . . ?
O7B C30B O8B 119.8(9) . . ?
O7B C30B C31B 120.8(8) . . ?
O8B C30B C31B 119.4(8) . . ?
O7B C30B DyB 60.4(5) . . ?
O8B C30B DyB 59.4(5) . . ?
C31B C30B DyB 178.8(7) . . ?
O7B C30B DyBA 62.4(5) . . ?
O8B C30B DyBA 61.5(5) . . ?
C31B C30B DyBA 161.0(9) . . ?
C34B C31B C33B 111.1(13) . . ?
C34B C31B C32B 109.8(12) . . ?
C33B C31B C32B 108.4(11) . . ?
C34B C31B C30B 110.4(10) . . ?
C33B C31B C30B 106.4(10) . . ?
C32B C31B C30B 110.7(8) . . ?
C31B C32B H32A 109.5 . . ?
C31B C32B H32B 109.5 . . ?
H32A C32B H32B 109.5 . . ?
C31B C32B H32C 109.5 . . ?
H32A C32B H32C 109.5 . . ?
H32B C32B H32C 109.5 . . ?
C31B C33B H33A 109.5 . . ?
C31B C33B H33B 109.5 . . ?
H33A C33B H33B 109.5 . . ?
C31B C33B H33C 109.5 . . ?
H33A C33B H33C 109.5 . . ?
H33B C33B H33C 109.5 . . ?
C31B C34B H34A 109.5 . . ?
C31B C34B H34B 109.5 . . ?
H34A C34B H34B 109.5 . . ?
C31B C34B H34C 109.5 . . ?
H34A C34B H34C 109.5 . . ?
H34B C34B H34C 109.5 . . ?
O9B C35B O10B 119.7(10) . . ?
O9B C35B C36B 120.7(12) . . ?
O10B C35B C36B 119.7(12) . . ?
O9B C35B DyB 59.9(6) . . ?
O10B C35B DyB 60.2(5) . . ?
C36B C35B DyB 173.0(9) . . ?
O9B C35B DyBA 78.2(7) . . ?
O10B C35B DyBA 41.7(6) . . ?
C36B C35B DyBA 160.8(11) . . ?
C35B C36B H36A 109.5 . . ?
C35B C36B H36B 109.5 . . ?
H36A C36B H36B 109.5 . . ?
C35B C36B H36C 109.5 . . ?
H36A C36B H36C 109.5 . . ?
H36B C36B H36C 109.5 . . ?
H10A O100 H10B 104.5 . . ?
H30C O300 H30F 107.2(18) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C27B C26B 1.51(3) . ?
C27B H27A 0.9800 . ?
C27B H27B 0.9800 . ?
C27B H27C 0.9800 . ?
C28C C26B 1.45(3) . ?
C28C H28A 0.9800 . ?
C28C H28B 0.9800 . ?
C28C H28C 0.9800 . ?
C28B C26B 1.56(4) . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B C26B 1.54(3) . ?
C29B H29A 0.9800 . ?
C29B H29B 0.9800 . ?
C29B H29C 0.9800 . ?
C29C C26B 1.57(3) . ?
C29C H29D 0.9800 . ?
C29C H29E 0.9800 . ?
C29C H29F 0.9800 . ?
C27C C26B 1.48(3) . ?
C27C H27D 0.9800 . ?
C27C H27E 0.9800 . ?
C27C H27F 0.9800 . ?
DyA O6A 2.315(8) . ?
DyA O2A 2.317(7) . ?
DyA O8A 2.376(8) . ?
DyA O3A 2.378(8) . ?
DyA O9A 2.391(8) . ?
DyA O7A 2.397(7) . ?
DyA O10A 2.412(9) . ?
DyA O4A 2.573(9) . ?
DyA O1A 2.665(8) . ?
DyA C30A 2.755(11) . ?
DyA C35A 2.761(13) . ?
DyA ZnA 3.3442(14) . ?
ZnA O5A 1.989(6) . ?
ZnA O2A 1.989(7) . ?
ZnA O3A 2.018(6) . ?
ZnA N1A 2.025(8) . ?
ZnA N2A 2.043(8) . ?
O1A C2A 1.386(13) . ?
O1A C7A 1.417(15) . ?
O2A C1A 1.319(11) . ?
O3A C18A 1.325(11) . ?
O4A C19A 1.380(15) . ?
O4A C23A 1.408(16) . ?
O5A C25A 1.272(13) . ?
O6A C25A 1.228(13) . ?
O7A C30A 1.278(14) . ?
O8A C30A 1.250(14) . ?
O9A C35A 1.251(15) . ?
O10A C35A 1.266(14) . ?
N1A C9A 1.295(11) . ?
N1A C10A 1.420(12) . ?
N2A C16A 1.306(11) . ?
N2A C15A 1.409(13) . ?
C1A C6A 1.394(14) . ?
C1A C2A 1.399(14) . ?
C2A C3A 1.392(14) . ?
C3A C4A 1.389(16) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.358(15) . ?
C4A C8A 1.521(13) . ?
C5A C6A 1.428(11) . ?
C5A H5A 0.9500 . ?
C6A C9A 1.431(14) . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9A 0.9500 . ?
C10A C11A 1.396(14) . ?
C10A C15A 1.415(12) . ?
C11A C12A 1.371(15) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.395(16) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.351(16) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.391(14) . ?
C14A H14A 0.9500 . ?
C16A C17A 1.456(16) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.363(16) . ?
C17A C22A 1.433(13) . ?
C18A C19A 1.391(15) . ?
C19A C20A 1.406(17) . ?
C20A C21A 1.37(2) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.360(19) . ?
C21A C24A 1.527(16) . ?
C22A H22A 0.9500 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C25A C26A 1.567(13) . ?
C26A C27A 1.482(19) . ?
C26A C29A 1.505(15) . ?
C26A C28A 1.535(18) . ?
C27A H27G 0.9800 . ?
C27A H27H 0.9800 . ?
C27A H27I 0.9800 . ?
C28A H28G 0.9800 . ?
C28A H28H 0.9800 . ?
C28A H28I 0.9800 . ?
C29A H29G 0.9800 . ?
C29A H29H 0.9800 . ?
C29A H29I 0.9800 . ?
C30A C31A 1.513(15) . ?
C31A C34A 1.48(2) . ?
C31A C32A 1.491(16) . ?
C31A C33A 1.51(2) . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A C36A 1.533(17) . ?
C36A C38A 1.482(19) . ?
C36A C39A 1.51(2) . ?
C36A C37A 1.51(2) . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37A H37C 0.9800 . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?
DyB O3B 2.330(7) . ?
DyB O6B 2.333(7) . ?
DyB O1B 2.368(7) . ?
DyB O8B 2.405(7) . ?
DyB O9B 2.412(7) . ?
DyB O10B 2.419(7) . ?
DyB O7B 2.429(6) . ?
DyB O4B 2.555(9) . ?
DyB O2B 2.658(9) . ?
DyB C35B 2.782(11) . ?
DyB C30B 2.789(10) . ?
DyB ZnB 3.3695(12) . ?
DyBA O2B 1.74(2) . ?
DyBA O1B 2.004(8) . ?
DyBA O10B 2.167(8) . ?
DyBA O8B 2.505(9) . ?
DyBA O7B 2.525(10) . ?
DyBA O6B 2.627(13) . ?
DyBA C2B 2.66(2) . ?
DyBA C1B 2.714(16) . ?
DyBA C7B 2.76(2) . ?
DyBA C30B 2.848(12) . ?
DyBA C35B 2.940(13) . ?
DyBA ZnB 3.513(8) . ?
ZnB O5B 1.965(6) . ?
ZnB O1B 1.993(8) . ?
ZnB N2B 2.027(9) . ?
ZnB O3B 2.033(7) . ?
ZnB N1B 2.054(8) . ?
O1B C1B 1.297(13) . ?
O2B C7B 1.371(12) . ?
O2B C2B 1.376(13) . ?
O3B C18B 1.304(13) . ?
O4B C19B 1.379(13) . ?
O4B C23B 1.438(12) . ?
O5B C25B 1.260(11) . ?
O6B C25B 1.262(12) . ?
O7B C30B 1.258(11) . ?
O8B C30B 1.269(11) . ?
O9B C35B 1.240(14) . ?
O10B C35B 1.258(14) . ?
N1B C9B 1.256(13) . ?
N1B C10B 1.426(12) . ?
N2B C16B 1.286(13) . ?
N2B C15B 1.421(11) . ?
C1B C2B 1.398(15) . ?
C1B C6B 1.429(14) . ?
C2B C3B 1.327(16) . ?
C3B C4B 1.417(16) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.413(16) . ?
C4B C8B 1.486(17) . ?
C5B C6B 1.360(16) . ?
C5B H5B 0.9500 . ?
C6B C9B 1.477(14) . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9B H9B 0.9500 . ?
C10B C11B 1.369(12) . ?
C10B C15B 1.407(14) . ?
C11B C12B 1.384(14) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.368(15) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.390(13) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.424(13) . ?
C14B H14B 0.9500 . ?
C16B C17B 1.459(13) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.380(14) . ?
C17B C22B 1.410(15) . ?
C18B C19B 1.433(13) . ?
C19B C20B 1.352(16) . ?
C20B C21B 1.405(16) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.390(14) . ?
C21B C24B 1.480(17) . ?
C22B H22B 0.9500 . ?
C23B H23A 0.9800 . ?
C23B H23B 0.9800 . ?
C23B H23C 0.9800 . ?
C24B H24A 0.9800 . ?
C24B H24B 0.9800 . ?
C24B H24C 0.9800 . ?
C25B C26B 1.494(13) . ?
C30B C31B 1.536(13) . ?
C31B C34B 1.499(19) . ?
C31B C33B 1.517(18) . ?
C31B C32B 1.518(14) . ?
C32B H32A 0.9800 . ?
C32B H32B 0.9800 . ?
C32B H32C 0.9800 . ?
C33B H33A 0.9800 . ?
C33B H33B 0.9800 . ?
C33B H33C 0.9800 . ?
C34B H34A 0.9800 . ?
C34B H34B 0.9800 . ?
C34B H34C 0.9800 . ?
C35B C36B 1.507(14) . ?
C36B H36A 0.9800 . ?
C36B H36B 0.9800 . ?
C36B H36C 0.9800 . ?
O100 H10A 0.8695 . ?
O100 H10B 0.8701 . ?
O200 H20D 0.8700 . ?
O300 H30C 1.042(13) . ?
O300 H30F 0.715(14) . ?
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
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C7A H7AB O8A 0.98 2.58 3.276(18) 128.1 . yes
C9A H9A O5A 0.95 2.55 3.356(11) 142.6 3_666 yes
C14A H14A O7B 0.95 2.52 3.451(12) 165.7 . yes
C16A H16A O7B 0.95 2.61 3.530(13) 163.4 . yes
C7B H7BB^b O8B 0.98 2.60 3.227(15) 121.6 . yes
C16B H16B O7A 0.95 2.46 3.362(14) 159.5 . yes
C36B H36C O300 0.98 2.68 3.39(4) 130.4 3_776 yes
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
_geom_torsion_publ_flag
ZnA O2A C1A C6A -8.4(12) . . . . ?
DyA O2A C1A C6A -168.7(6) . . . . ?
ZnA O2A C1A C2A 172.7(6) . . . . ?
DyA O2A C1A C2A 12.4(11) . . . . ?
C7A O1A C2A C3A 8.1(15) . . . . ?
DyA O1A C2A C3A 161.4(7) . . . . ?
C7A O1A C2A C1A -170.7(11) . . . . ?
DyA O1A C2A C1A -17.4(9) . . . . ?
O2A C1A C2A O1A 6.0(11) . . . . ?
C6A C1A C2A O1A -173.0(7) . . . . ?
O2A C1A C2A C3A -172.8(8) . . . . ?
C6A C1A C2A C3A 8.2(13) . . . . ?
O1A C2A C3A C4A 179.6(8) . . . . ?
C1A C2A C3A C4A -1.8(14) . . . . ?
C2A C3A C4A C5A -5.1(13) . . . . ?
C2A C3A C4A C8A 174.6(8) . . . . ?
C3A C4A C5A C6A 5.5(12) . . . . ?
C8A C4A C5A C6A -174.3(8) . . . . ?
O2A C1A C6A C5A 173.4(7) . . . . ?
C2A C1A C6A C5A -7.7(11) . . . . ?
O2A C1A C6A C9A -10.4(13) . . . . ?
C2A C1A C6A C9A 168.5(8) . . . . ?
C4A C5A C6A C1A 1.1(12) . . . . ?
C4A C5A C6A C9A -175.4(7) . . . . ?
C10A N1A C9A C6A -173.8(7) . . . . ?
ZnA N1A C9A C6A 6.2(11) . . . . ?
C1A C6A C9A N1A 11.5(13) . . . . ?
C5A C6A C9A N1A -172.3(7) . . . . ?
C9A N1A C10A C11A -18.0(12) . . . . ?
ZnA N1A C10A C11A 162.0(6) . . . . ?
C9A N1A C10A C15A 164.7(7) . . . . ?
ZnA N1A C10A C15A -15.2(8) . . . . ?
C15A C10A C11A C12A -2.6(12) . . . . ?
N1A C10A C11A C12A -179.7(7) . . . . ?
C10A C11A C12A C13A -0.7(13) . . . . ?
C11A C12A C13A C14A 1.8(15) . . . . ?
C12A C13A C14A C15A 0.5(14) . . . . ?
C13A C14A C15A N2A 172.6(8) . . . . ?
C13A C14A C15A C10A -3.8(12) . . . . ?
C16A N2A C15A C14A 1.2(12) . . . . ?
ZnA N2A C15A C14A -169.6(6) . . . . ?
C16A N2A C15A C10A 177.6(7) . . . . ?
ZnA N2A C15A C10A 6.9(8) . . . . ?
C11A C10A C15A C14A 4.9(11) . . . . ?
N1A C10A C15A C14A -177.8(7) . . . . ?
C11A C10A C15A N2A -171.8(7) . . . . ?
N1A C10A C15A N2A 5.6(10) . . . . ?
C15A N2A C16A C17A -176.8(7) . . . . ?
ZnA N2A C16A C17A -7.0(11) . . . . ?
N2A C16A C17A C18A -15.8(14) . . . . ?
N2A C16A C17A C22A 167.5(8) . . . . ?
ZnA O3A C18A C17A 37.2(11) . . . . ?
DyA O3A C18A C17A 163.9(7) . . . . ?
ZnA O3A C18A C19A -142.6(7) . . . . ?
DyA O3A C18A C19A -15.9(10) . . . . ?
C22A C17A C18A O3A 174.8(8) . . . . ?
C16A C17A C18A O3A -1.8(14) . . . . ?
C22A C17A C18A C19A -5.5(13) . . . . ?
C16A C17A C18A C19A 177.9(8) . . . . ?
C23A O4A C19A C18A -180.0(10) . . . . ?
DyA O4A C19A C18A 17.0(11) . . . . ?
C23A O4A C19A C20A -7.1(16) . . . . ?
DyA O4A C19A C20A -170.2(8) . . . . ?
O3A C18A C19A O4A -2.5(12) . . . . ?
C17A C18A C19A O4A 177.7(8) . . . . ?
O3A C18A C19A C20A -175.6(9) . . . . ?
C17A C18A C19A C20A 4.6(14) . . . . ?
O4A C19A C20A C21A -174.7(10) . . . . ?
C18A C19A C20A C21A -2.4(16) . . . . ?
C19A C20A C21A C22A 1.0(18) . . . . ?
C19A C20A C21A C24A 177.4(11) . . . . ?
C20A C21A C22A C17A -2.0(17) . . . . ?
C24A C21A C22A C17A -178.2(10) . . . . ?
C18A C17A C22A C21A 4.3(15) . . . . ?
C16A C17A C22A C21A -178.8(9) . . . . ?
DyA O6A C25A O5A -6(2) . . . . ?
DyA O6A C25A C26A 177.4(10) . . . . ?
ZnA O5A C25A O6A 15.0(14) . . . . ?
ZnA O5A C25A C26A -168.0(6) . . . . ?
O6A C25A C26A C27A -162.9(13) . . . . ?
O5A C25A C26A C27A 19.9(15) . . . . ?
O6A C25A C26A C29A 76.2(14) . . . . ?
O5A C25A C26A C29A -101.0(13) . . . . ?
O6A C25A C26A C28A -42.6(15) . . . . ?
O5A C25A C26A C28A 140.2(12) . . . . ?
DyA O8A C30A O7A -7.2(11) . . . . ?
DyA O8A C30A C31A 174.3(9) . . . . ?
DyA O7A C30A O8A 7.2(11) . . . . ?
DyA O7A C30A C31A -174.3(9) . . . . ?
O8A C30A C31A C34A 9.4(17) . . . . ?
O7A C30A C31A C34A -169.1(11) . . . . ?
O8A C30A C31A C32A 134.2(13) . . . . ?
O7A C30A C31A C32A -44.3(16) . . . . ?
O8A C30A C31A C33A -112.1(16) . . . . ?
O7A C30A C31A C33A 69.4(16) . . . . ?
DyA O9A C35A O10A -1.1(14) . . . . ?
DyA O9A C35A C36A -178.3(11) . . . . ?
DyA O10A C35A O9A 1.1(14) . . . . ?
DyA O10A C35A C36A 178.3(11) . . . . ?
O9A C35A C36A C38A -147.7(17) . . . . ?
O10A C35A C36A C38A 35(2) . . . . ?
O9A C35A C36A C39A 95.9(17) . . . . ?
O10A C35A C36A C39A -81.3(17) . . . . ?
O9A C35A C36A C37A -25(2) . . . . ?
O10A C35A C36A C37A 158.2(15) . . . . ?
O1B DyBA O2B C7B 176.7(8) . . . . ?
O10B DyBA O2B C7B 41.4(8) . . . . ?
O8B DyBA O2B C7B -43.8(8) . . . . ?
O7B DyBA O2B C7B -95.3(8) . . . . ?
O6B DyBA O2B C7B 112.6(8) . . . . ?
C2B DyBA O2B C7B 173.6(13) . . . . ?
C1B DyBA O2B C7B 175.1(9) . . . . ?
C30B DyBA O2B C7B -69.6(8) . . . . ?
C35B DyBA O2B C7B 33.0(9) . . . . ?
ZnB DyBA O2B C7B 176.8(7) . . . . ?
O1B DyBA O2B C2B 3.1(7) . . . . ?
O10B DyBA O2B C2B -132.1(7) . . . . ?
O8B DyBA O2B C2B 142.6(7) . . . . ?
O7B DyBA O2B C2B 91.1(7) . . . . ?
O6B DyBA O2B C2B -61.0(9) . . . . ?
C1B DyBA O2B C2B 1.5(6) . . . . ?
C7B DyBA O2B C2B -173.6(13) . . . . ?
C30B DyBA O2B C2B 116.9(7) . . . . ?
C35B DyBA O2B C2B -140.5(7) . . . . ?
ZnB DyBA O2B C2B 3.2(8) . . . . ?
ZnB O1B C1B C2B 179.2(6) . . . . ?
DyBA O1B C1B C2B 2.2(10) . . . . ?
DyB O1B C1B C2B -4.3(12) . . . . ?
ZnB O1B C1B C6B -3.3(13) . . . . ?
DyBA O1B C1B C6B 179.7(7) . . . . ?
DyB O1B C1B C6B 173.1(6) . . . . ?
ZnB O1B C1B DyBA 177.0(10) . . . . ?
C7B O2B C2B C3B 5.5(15) . . . . ?
DyBA O2B C2B C3B 179.4(9) . . . . ?
DyB O2B C2B C3B -174.5(8) . . . . ?
C7B O2B C2B C1B -176.7(8) . . . . ?
DyBA O2B C2B C1B -2.7(11) . . . . ?
DyB O2B C2B C1B 3.3(10) . . . . ?
C7B O2B C2B DyBA -174.0(12) . . . . ?
O1B C1B C2B C3B 178.0(9) . . . . ?
C6B C1B C2B C3B 0.4(14) . . . . ?
DyBA C1B C2B C3B 179.6(10) . . . . ?
O1B C1B C2B O2B 0.0(12) . . . . ?
C6B C1B C2B O2B -177.6(8) . . . . ?
DyBA C1B C2B O2B 1.6(6) . . . . ?
O1B C1B C2B DyBA -1.6(7) . . . . ?
C6B C1B C2B DyBA -179.3(8) . . . . ?
O2B C2B C3B C4B 178.7(9) . . . . ?
C1B C2B C3B C4B 1.1(16) . . . . ?
DyBA C2B C3B C4B 179.8(19) . . . . ?
C2B C3B C4B C5B -2.6(15) . . . . ?
C2B C3B C4B C8B 179.6(10) . . . . ?
C3B C4B C5B C6B 2.9(13) . . . . ?
C8B C4B C5B C6B -179.3(9) . . . . ?
C4B C5B C6B C1B -1.7(13) . . . . ?
C4B C5B C6B C9B -174.1(8) . . . . ?
O1B C1B C6B C5B -177.4(8) . . . . ?
C2B C1B C6B C5B 0.0(13) . . . . ?
DyBA C1B C6B C5B -176(3) . . . . ?
O1B C1B C6B C9B -5.5(14) . . . . ?
C2B C1B C6B C9B 171.9(8) . . . . ?
DyBA C1B C6B C9B -4(4) . . . . ?
C2B O2B C7B DyBA 173.5(13) . . . . ?
C10B N1B C9B C6B -176.4(8) . . . . ?
ZnB N1B C9B C6B -0.7(13) . . . . ?
C5B C6B C9B N1B 180.0(9) . . . . ?
C1B C6B C9B N1B 7.7(14) . . . . ?
C9B N1B C10B C11B -22.6(13) . . . . ?
ZnB N1B C10B C11B 161.1(7) . . . . ?
C9B N1B C10B C15B 158.4(8) . . . . ?
ZnB N1B C10B C15B -17.9(8) . . . . ?
C15B C10B C11B C12B -0.8(14) . . . . ?
N1B C10B C11B C12B -179.7(8) . . . . ?
C10B C11B C12B C13B -1.0(15) . . . . ?
C11B C12B C13B C14B 1.3(15) . . . . ?
C12B C13B C14B C15B 0.3(13) . . . . ?
C11B C10B C15B N2B -176.9(8) . . . . ?
N1B C10B C15B N2B 2.2(10) . . . . ?
C11B C10B C15B C14B 2.4(12) . . . . ?
N1B C10B C15B C14B -178.6(7) . . . . ?
C16B N2B C15B C10B -171.4(8) . . . . ?
ZnB N2B C15B C10B 14.8(9) . . . . ?
C16B N2B C15B C14B 9.4(12) . . . . ?
ZnB N2B C15B C14B -164.4(6) . . . . ?
C13B C14B C15B C10B -2.1(12) . . . . ?
C13B C14B C15B N2B 177.1(8) . . . . ?
C15B N2B C16B C17B -179.9(7) . . . . ?
ZnB N2B C16B C17B -7.0(12) . . . . ?
N2B C16B C17B C18B -10.8(13) . . . . ?
N2B C16B C17B C22B 170.9(8) . . . . ?
ZnB O3B C18B C17B 27.4(11) . . . . ?
DyB O3B C18B C17B 168.9(6) . . . . ?
ZnB O3B C18B C19B -156.9(6) . . . . ?
DyB O3B C18B C19B -15.3(11) . . . . ?
C22B C17B C18B O3B 177.5(8) . . . . ?
C16B C17B C18B O3B -0.8(14) . . . . ?
C22B C17B C18B C19B 1.8(12) . . . . ?
C16B C17B C18B C19B -176.5(8) . . . . ?
C23B O4B C19B C20B 6.2(15) . . . . ?
DyB O4B C19B C20B -167.1(8) . . . . ?
C23B O4B C19B C18B -174.3(9) . . . . ?
DyB O4B C19B C18B 12.5(9) . . . . ?
O3B C18B C19B C20B 179.6(8) . . . . ?
C17B C18B C19B C20B -4.3(13) . . . . ?
O3B C18B C19B O4B 0.0(11) . . . . ?
C17B C18B C19B O4B 176.1(8) . . . . ?
O4B C19B C20B C21B -177.3(9) . . . . ?
C18B C19B C20B C21B 3.2(15) . . . . ?
C19B C20B C21B C22B 0.4(15) . . . . ?
C19B C20B C21B C24B -179.5(10) . . . . ?
C20B C21B C22B C17B -3.0(14) . . . . ?
C24B C21B C22B C17B 176.9(10) . . . . ?
C18B C17B C22B C21B 1.9(14) . . . . ?
C16B C17B C22B C21B -179.7(8) . . . . ?
ZnB O5B C25B O6B -3.8(18) . . . . ?
ZnB O5B C25B C26B 174.1(8) . . . . ?
DyB O6B C25B O5B 13(3) . . . . ?
DyBA O6B C25B O5B 43(2) . . . . ?
DyB O6B C25B C26B -165.2(10) . . . . ?
DyBA O6B C25B C26B -135.1(10) . . . . ?
O5B C25B C26B C28C -34(2) . . . . ?
O6B C25B C26B C28C 144(2) . . . . ?
O5B C25B C26B C27C 84.1(19) . . . . ?
O6B C25B C26B C27C -98(2) . . . . ?
O5B C25B C26B C27B 139(2) . . . . ?
O6B C25B C26B C27B -43(2) . . . . ?
O5B C25B C26B C29B -105.9(17) . . . . ?
O6B C25B C26B C29B 72.1(18) . . . . ?
O5B C25B C26B C28B 16(2) . . . . ?
O6B C25B C26B C28B -165.9(16) . . . . ?
O5B C25B C26B C29C -163.8(16) . . . . ?
O6B C25B C26B C29C 14(2) . . . . ?
DyB O7B C30B O8B 1.5(12) . . . . ?
DyBA O7B C30B O8B 23.2(13) . . . . ?
DyB O7B C30B C31B 179.8(10) . . . . ?
DyBA O7B C30B C31B -158.5(11) . . . . ?
DyB O8B C30B O7B -1.5(12) . . . . ?
DyBA O8B C30B O7B -23.4(13) . . . . ?
DyB O8B C30B C31B -179.8(10) . . . . ?
DyBA O8B C30B C31B 158.2(11) . . . . ?
O7B C30B C31B C34B 124.9(14) . . . . ?
O8B C30B C31B C34B -56.8(16) . . . . ?
DyBA C30B C31B C34B 31(2) . . . . ?
O7B C30B C31B C33B -114.5(13) . . . . ?
O8B C30B C31B C33B 63.8(15) . . . . ?
DyBA C30B C31B C33B 151.2(18) . . . . ?
O7B C30B C31B C32B 3.0(17) . . . . ?
O8B C30B C31B C32B -178.6(12) . . . . ?
DyBA C30B C31B C32B -91(2) . . . . ?
DyB O9B C35B O10B -7.9(12) . . . . ?
DyB O9B C35B C36B 171.9(11) . . . . ?
DyBA O10B C35B O9B 5.8(15) . . . . ?
DyB O10B C35B O9B 7.8(12) . . . . ?
DyBA O10B C35B C36B -174.0(9) . . . . ?
DyB O10B C35B C36B -171.9(10) . . . . ?
