#------------------------------------------------------------------------------
#$Date: 2025-08-21 23:13:44 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301852 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/02/7060217.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_7060217
loop_
_publ_author_name
'Verma, Abhineet'
'Hossain, S. K. Saddam'
'Sunkari, Sailaja S.'
'Reibenspies, Joseph'
'Saha, Satyen'
_publ_section_title
;
 Ligand influence versus electronic configuration of d-metal ion in
 determining the fate of NIR emission from LnIII ions: a case study with
 CuII, NiII and ZnII complexes
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2696
_journal_page_last               2709
_journal_paper_doi               10.1039/D0NJ04020G
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C22 H25 Dy N4 O12 Zn'
_chemical_formula_weight         765.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-08-05 deposited with the CCDC.	2020-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.1160(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.832(3)
_cell_length_b                   15.148(2)
_cell_length_c                   20.585(3)
_cell_measurement_reflns_used    15445
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      3.0157
_cell_volume                     5436.5(14)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_publication_material  ORTEP-III)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.876
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type
;
Saturn724 (4x4 bin mode)
;
_diffrn_measurement_method       'Ω SCANS'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_Laue_measured_fraction_full 0.876
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            40042
_diffrn_reflns_point_group_measured_fraction_full 0.876
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        12.500
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.016
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    3.678
_exptl_absorpt_correction_T_max  0.6454
_exptl_absorpt_correction_T_min  0.5156
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            Yellowish
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_description       block
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.118
_refine_diff_density_min         -1.892
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         12234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0497P)²+5.0158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10836
_reflns_number_total             12234
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04020g2.cif
_cod_data_source_block           Zn-Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Numerical' was
changed to 'numerical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7060214--7060223.cif.

2024-09-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        5436.7(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44 H50 Dy2 N8 O24 Zn2'
_cod_original_formula_units_Z    4
_cod_original_formula_weight     1530.66
_cod_database_code               7060217
_shelx_shelxl_version_number     2018/1
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.78760(2) 0.70352(2) 0.29015(2) 0.01553(5) Uani 1 1 d . . . . .
Dy2 Dy 1.21235(2) 0.96491(2) 0.20899(2) 0.01594(6) Uani 1 1 d . . . . .
Zn1 Zn 0.70621(2) 0.82787(2) 0.39606(2) 0.01456(8) Uani 1 1 d . . . . .
Zn2 Zn 1.31043(2) 1.07897(2) 0.10944(2) 0.01486(8) Uani 1 1 d . . . . .
O1 O 0.72793(14) 0.69671(15) 0.37706(12) 0.0202(5) Uani 1 1 d . . . . .
O2 O 0.79839(13) 0.83214(15) 0.35131(11) 0.0184(5) Uani 1 1 d . . . . .
O4 O 0.91143(14) 0.78794(16) 0.30063(13) 0.0224(5) Uani 1 1 d . . . . .
O3 O 0.73203(14) 0.55557(15) 0.30867(11) 0.0189(5) Uani 1 1 d . . . . .
O13 O 1.21071(13) 1.08896(15) 0.14383(11) 0.0180(5) Uani 1 1 d . . . . .
O14 O 1.28315(14) 0.95082(15) 0.12963(12) 0.0199(5) Uani 1 1 d . . . . .
O15 O 1.08770(13) 1.05753(16) 0.18463(12) 0.0210(5) Uani 1 1 d . . . . .
O16 O 1.27091(14) 0.81390(15) 0.19959(12) 0.0208(5) Uani 1 1 d . . . . .
O5 O 0.88386(14) 0.63375(17) 0.37682(12) 0.0250(5) Uani 1 1 d . . . . .
O7 O 0.88211(14) 0.59324(17) 0.27545(13) 0.0255(5) Uani 1 1 d . . . . .
O6 O 0.95449(18) 0.5218(2) 0.35856(18) 0.0436(8) Uani 1 1 d . . . . .
O10 O 0.74488(17) 0.64095(17) 0.17754(12) 0.0304(6) Uani 1 1 d . . . . .
O8 O 0.80008(15) 0.76840(17) 0.18421(12) 0.0257(5) Uani 1 1 d . . . . .
O9 O 0.7493(2) 0.71385(19) 0.08728(13) 0.0403(8) Uani 1 1 d . . . . .
O12 O 0.66929(15) 0.76658(19) 0.24809(12) 0.0295(6) Uani 1 1 d . . . . .
O11 O 0.61440(13) 0.83526(17) 0.32254(12) 0.0246(5) Uani 1 1 d . . . . .
O19 O 1.24279(15) 0.90234(17) 0.32460(12) 0.0263(5) Uani 1 1 d . . . . .
O17 O 1.17662(14) 1.02271(16) 0.30857(12) 0.0230(5) Uani 1 1 d . . . . .
O18 O 1.20646(18) 0.96656(19) 0.40814(13) 0.0330(6) Uani 1 1 d . . . . .
O20 O 1.11413(15) 0.85851(18) 0.22338(13) 0.0280(6) Uani 1 1 d . . . . .
O22 O 1.12128(15) 0.88964(18) 0.12195(13) 0.0290(6) Uani 1 1 d . . . . .
O21 O 1.0495(2) 0.7800(3) 0.14184(19) 0.0606(11) Uani 1 1 d . . . . .
O23 O 1.39322(13) 1.08863(17) 0.19167(12) 0.0230(5) Uani 1 1 d . . . . .
O24 O 1.32545(14) 1.02722(18) 0.25979(12) 0.0265(5) Uani 1 1 d . . . . .
N1 N 0.67912(16) 0.78470(18) 0.48305(13) 0.0176(5) Uani 1 1 d . . . . .
N2 N 0.73093(16) 0.95775(18) 0.42465(14) 0.0182(5) Uani 1 1 d . . . . .
N5 N 1.29583(15) 1.20818(17) 0.07722(13) 0.0167(5) Uani 1 1 d . . . . .
N6 N 1.34188(15) 1.03076(18) 0.02556(13) 0.0166(5) Uani 1 1 d . . . . .
N3 N 0.90853(17) 0.5813(2) 0.33720(16) 0.0255(6) Uani 1 1 d . . . . .
N4 N 0.76411(19) 0.70803(19) 0.14768(15) 0.0253(6) Uani 1 1 d . . . . .
N8 N 1.09312(19) 0.8410(2) 0.16189(17) 0.0327(8) Uani 1 1 d . . . . .
N7 N 1.20951(16) 0.96322(18) 0.34946(14) 0.0190(6) Uani 1 1 d . . . . .
C1 C 0.85955(17) 0.8828(2) 0.36881(16) 0.0168(6) Uani 1 1 d . . . . .
C2 C 0.92460(18) 0.8607(2) 0.34172(16) 0.0185(6) Uani 1 1 d . . . . .
C3 C 0.99019(19) 0.9102(2) 0.35490(18) 0.0245(7) Uani 1 1 d . . . . .
H3 H 1.031753 0.894715 0.336524 0.029 Uiso 1 1 calc R U . . .
C4 C 0.9944(2) 0.9840(3) 0.3961(2) 0.0320(8) Uani 1 1 d . . . . .
H4 H 1.039288 1.017079 0.406017 0.038 Uiso 1 1 calc R U . . .
C5 C 0.9323(2) 1.0078(3) 0.42194(19) 0.0288(8) Uani 1 1 d . . . . .
H5 H 0.935503 1.057814 0.448610 0.035 Uiso 1 1 calc R U . . .
C6 C 0.86362(18) 0.9581(2) 0.40894(16) 0.0189(6) Uani 1 1 d . . . . .
C7 C 0.79710(18) 0.9943(2) 0.43089(15) 0.0186(6) Uani 1 1 d . . . . .
H7 H 0.803274 1.049320 0.451421 0.022 Uiso 1 1 calc R U . . .
C8 C 0.6705(2) 1.0153(2) 0.44188(18) 0.0236(7) Uani 1 1 d . . . . .
H8A H 0.653859 1.057262 0.406150 0.028 Uiso 1 1 calc R U . . .
H8B H 0.692212 1.048538 0.481678 0.028 Uiso 1 1 calc R U . . .
C9 C 0.60082(19) 0.9637(2) 0.45362(17) 0.0222(7) Uani 1 1 d . . . . .
H9A H 0.558171 1.004405 0.450317 0.027 Uiso 1 1 calc R U . . .
H9B H 0.586801 0.920658 0.418289 0.027 Uiso 1 1 calc R U . . .
C10 C 0.6116(2) 0.9157(2) 0.52004(17) 0.0227(7) Uani 1 1 d . . . . .
H10A H 0.564762 0.883677 0.521189 0.027 Uiso 1 1 calc R U . . .
H10B H 0.618452 0.959522 0.555138 0.027 Uiso 1 1 calc R U . . .
C11 C 0.6786(2) 0.8509(2) 0.53551(16) 0.0223(7) Uani 1 1 d . . . . .
H11A H 0.726151 0.884021 0.542565 0.027 Uiso 1 1 calc R U . . .
H11B H 0.676804 0.820439 0.576600 0.027 Uiso 1 1 calc R U . . .
C12 C 0.66349(19) 0.7053(2) 0.49581(16) 0.0194(6) Uani 1 1 d . . . . .
H12 H 0.649437 0.696235 0.536331 0.023 Uiso 1 1 calc R U . . .
C13 C 0.66480(18) 0.6266(2) 0.45508(16) 0.0183(6) Uani 1 1 d . . . . .
C14 C 0.6358(2) 0.5471(2) 0.47541(18) 0.0244(7) Uani 1 1 d . . . . .
H14 H 0.614214 0.546837 0.512782 0.029 Uiso 1 1 calc R U . . .
C15 C 0.6389(2) 0.4700(2) 0.44093(18) 0.0245(7) Uani 1 1 d . . . . .
H15 H 0.619996 0.418050 0.455478 0.029 Uiso 1 1 calc R U . . .
C16 C 0.67054(19) 0.4690(2) 0.38379(17) 0.0200(7) Uani 1 1 d . . . . .
H16 H 0.672114 0.416929 0.360178 0.024 Uiso 1 1 calc R U . . .
C17 C 0.69895(18) 0.5458(2) 0.36344(16) 0.0165(6) Uani 1 1 d . . . . .
C18 C 0.69749(17) 0.6259(2) 0.39848(15) 0.0167(6) Uani 1 1 d . . . . .
C19 C 0.7356(2) 0.4768(2) 0.26976(17) 0.0237(7) Uani 1 1 d . . . . .
H19A H 0.761268 0.430841 0.298057 0.036 Uiso 1 1 calc R U . . .
H19B H 0.763434 0.489266 0.235618 0.036 Uiso 1 1 calc R U . . .
H19C H 0.684579 0.458057 0.249768 0.036 Uiso 1 1 calc R U . . .
C20 C 0.9675(2) 0.7721(3) 0.2600(2) 0.0318(9) Uani 1 1 d . . . . .
H20A H 0.973222 0.824394 0.235194 0.048 Uiso 1 1 calc R U . . .
H20B H 0.950370 0.724315 0.229883 0.048 Uiso 1 1 calc R U . . .
H20C H 1.015867 0.757023 0.288084 0.048 Uiso 1 1 calc R U . . .
C21 C 1.15412(17) 1.1448(2) 0.12202(15) 0.0160(6) Uani 1 1 d . . . . .
C22 C 1.08445(18) 1.1304(2) 0.14341(17) 0.0206(7) Uani 1 1 d . . . . .
C23 C 1.0231(2) 1.1862(3) 0.1265(2) 0.0372(10) Uani 1 1 d . . . . .
H23 H 0.978099 1.175387 0.141269 0.045 Uiso 1 1 calc R U . . .
C24 C 1.0288(2) 1.2599(3) 0.0866(3) 0.0534(14) Uani 1 1 d . . . . .
H24 H 0.987335 1.297934 0.074271 0.064 Uiso 1 1 calc R U . . .
C25 C 1.0963(2) 1.2757(3) 0.0657(2) 0.0394(10) Uani 1 1 d . . . . .
H25 H 1.099584 1.324829 0.039358 0.047 Uiso 1 1 calc R U . . .
C26 C 1.15998(19) 1.2195(2) 0.08324(17) 0.0205(6) Uani 1 1 d . . . . .
C27 C 1.23116(18) 1.2489(2) 0.06585(16) 0.0180(6) Uani 1 1 d . . . . .
H27 H 1.229573 1.302956 0.044183 0.022 Uiso 1 1 calc R U . . .
C28 C 1.36209(19) 1.2584(2) 0.06364(18) 0.0214(7) Uani 1 1 d . . . . .
H28A H 1.378766 1.300316 0.099353 0.026 Uiso 1 1 calc R U . . .
H28B H 1.345719 1.291645 0.022866 0.026 Uiso 1 1 calc R U . . .
C29 C 1.42968(18) 1.2005(2) 0.05705(17) 0.0213(7) Uani 1 1 d . . . . .
H29A H 1.475074 1.237325 0.062669 0.026 Uiso 1 1 calc R U . . .
H29B H 1.438143 1.157879 0.093035 0.026 Uiso 1 1 calc R U . . .
C30 C 1.4214(2) 1.1508(2) -0.00799(18) 0.0243(7) Uani 1 1 d . . . . .
H30A H 1.465907 1.113033 -0.005317 0.029 Uiso 1 1 calc R U . . .
H30B H 1.421763 1.193252 -0.043200 0.029 Uiso 1 1 calc R U . . .
C31 C 1.3491(2) 1.0938(2) -0.02733(16) 0.0211(7) Uani 1 1 d . . . . .
H31A H 1.304276 1.131756 -0.036344 0.025 Uiso 1 1 calc R U . . .
H31B H 1.350783 1.061516 -0.067695 0.025 Uiso 1 1 calc R U . . .
C32 C 1.35676(18) 0.9500(2) 0.01526(16) 0.0186(6) Uani 1 1 d . . . . .
H32 H 1.372488 0.937955 -0.024133 0.022 Uiso 1 1 calc R U . . .
C33 C 1.35189(17) 0.8747(2) 0.05817(16) 0.0168(6) Uani 1 1 d . . . . .
C34 C 1.3806(2) 0.7930(2) 0.04095(19) 0.0237(7) Uani 1 1 d . . . . .
H34 H 1.402664 0.789465 0.003932 0.028 Uiso 1 1 calc R U . . .
C35 C 1.3762(2) 0.7188(2) 0.07832(19) 0.0240(7) Uani 1 1 d . . . . .
H35 H 1.396576 0.665801 0.067227 0.029 Uiso 1 1 calc R U . . .
C36 C 1.34093(19) 0.7227(2) 0.13321(17) 0.0212(7) Uani 1 1 d . . . . .
H36 H 1.338506 0.672650 0.158860 0.025 Uiso 1 1 calc R U . . .
C37 C 1.31020(18) 0.8008(2) 0.14859(16) 0.0178(6) Uani 1 1 d . . . . .
C38 C 1.31553(17) 0.8787(2) 0.11198(15) 0.0159(6) Uani 1 1 d . . . . .
C39 C 1.2619(2) 0.7362(2) 0.23806(18) 0.0276(8) Uani 1 1 d . . . . .
H39A H 1.237179 0.690542 0.208904 0.041 Uiso 1 1 calc R U . . .
H39B H 1.231074 0.750470 0.269667 0.041 Uiso 1 1 calc R U . . .
H39C H 1.311350 0.716040 0.261135 0.041 Uiso 1 1 calc R U . . .
C40 C 1.0211(2) 1.0438(3) 0.2129(2) 0.0333(9) Uani 1 1 d . . . . .
H40A H 1.011410 1.096101 0.236178 0.050 Uiso 1 1 calc R U . . .
H40B H 1.030172 0.995010 0.243235 0.050 Uiso 1 1 calc R U . . .
H40C H 0.977520 1.031332 0.178014 0.050 Uiso 1 1 calc R U . . .
C41 C 0.6134(2) 0.8032(3) 0.26580(18) 0.0254(7) Uani 1 1 d . . . . .
C42 C 0.5385(2) 0.8119(4) 0.2144(2) 0.0454(12) Uani 1 1 d . . . . .
H42A H 0.537421 0.867875 0.192309 0.068 Uiso 1 1 calc R U . . .
H42B H 0.495998 0.808151 0.236132 0.068 Uiso 1 1 calc R U . . .
H42C H 0.535066 0.765235 0.182347 0.068 Uiso 1 1 calc R U . . .
C43 C 1.38710(19) 1.0557(2) 0.24639(17) 0.0229(7) Uani 1 1 d . . . . .
C44 C 1.4586(2) 1.0520(3) 0.30106(19) 0.0370(10) Uani 1 1 d . . . . .
H44A H 1.503144 1.050456 0.281705 0.056 Uiso 1 1 calc R U . . .
H44B H 1.457368 0.999978 0.327388 0.056 Uiso 1 1 calc R U . . .
H44C H 1.460774 1.103389 0.328723 0.056 Uiso 1 1 calc R U . . .
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
O1 Dy1 O2 66.85(8) . . ?
O1 Dy1 O12 76.81(9) . . ?
O2 Dy1 O12 79.65(9) . . ?
O1 Dy1 O7 121.21(9) . . ?
O2 Dy1 O7 131.80(8) . . ?
O12 Dy1 O7 146.85(9) . . ?
O1 Dy1 O5 77.18(9) . . ?
O2 Dy1 O5 90.08(9) . . ?
O12 Dy1 O5 153.99(8) . . ?
O7 Dy1 O5 52.80(8) . . ?
O1 Dy1 O8 150.20(9) . . ?
O2 Dy1 O8 97.74(8) . . ?
O12 Dy1 O8 75.32(9) . . ?
O7 Dy1 O8 88.28(9) . . ?
O5 Dy1 O8 130.11(8) . . ?
O1 Dy1 O10 128.25(9) . . ?
O2 Dy1 O10 144.09(9) . . ?
O12 Dy1 O10 74.33(10) . . ?
O7 Dy1 O10 72.88(9) . . ?
O5 Dy1 O10 123.39(9) . . ?
O8 Dy1 O10 52.08(8) . . ?
O1 Dy1 O3 64.80(8) . . ?
O2 Dy1 O3 131.41(7) . . ?
O12 Dy1 O3 93.86(9) . . ?
O7 Dy1 O3 73.28(8) . . ?
O5 Dy1 O3 75.06(8) . . ?
O8 Dy1 O3 127.36(8) . . ?
O10 Dy1 O3 75.31(8) . . ?
O1 Dy1 O4 120.21(8) . . ?
O2 Dy1 O4 63.48(8) . . ?
O12 Dy1 O4 122.44(9) . . ?
O7 Dy1 O4 75.06(8) . . ?
O5 Dy1 O4 71.84(8) . . ?
O8 Dy1 O4 68.30(9) . . ?
O10 Dy1 O4 111.51(9) . . ?
O3 Dy1 O4 143.70(8) . . ?
O1 Dy1 N3 98.57(9) . . ?
O2 Dy1 N3 113.11(9) . . ?
O12 Dy1 N3 163.83(9) . . ?
O7 Dy1 N3 26.36(8) . . ?
O5 Dy1 N3 26.57(8) . . ?
O8 Dy1 N3 111.10(9) . . ?
O10 Dy1 N3 97.57(9) . . ?
O3 Dy1 N3 70.34(8) . . ?
O4 Dy1 N3 73.39(8) . . ?
O1 Dy1 N4 144.47(9) . . ?
O2 Dy1 N4 120.97(8) . . ?
O12 Dy1 N4 71.46(9) . . ?
O7 Dy1 N4 81.14(8) . . ?
O5 Dy1 N4 133.26(8) . . ?
O8 Dy1 N4 26.03(9) . . ?
O10 Dy1 N4 26.14(8) . . ?
O3 Dy1 N4 101.44(8) . . ?
O4 Dy1 N4 90.73(9) . . ?
N3 Dy1 N4 107.43(9) . . ?
O1 Dy1 Zn1 36.04(6) . . ?
O2 Dy1 Zn1 35.50(5) . . ?
O12 Dy1 Zn1 62.35(6) . . ?
O7 Dy1 Zn1 148.49(6) . . ?
O5 Dy1 Zn1 95.73(6) . . ?
O8 Dy1 Zn1 118.47(6) . . ?
O10 Dy1 Zn1 135.99(7) . . ?
O3 Dy1 Zn1 99.25(5) . . ?
O4 Dy1 Zn1 98.46(5) . . ?
N3 Dy1 Zn1 122.13(6) . . ?
N4 Dy1 Zn1 130.21(6) . . ?
O24 Dy2 O14 78.27(9) . . ?
O24 Dy2 O13 80.26(9) . . ?
O14 Dy2 O13 66.41(8) . . ?
O24 Dy2 O17 80.04(9) . . ?
O14 Dy2 O17 157.16(9) . . ?
O13 Dy2 O17 102.90(8) . . ?
O24 Dy2 O22 157.44(8) . . ?
O14 Dy2 O22 79.19(9) . . ?
O13 Dy2 O22 91.63(9) . . ?
O17 Dy2 O22 122.43(8) . . ?
O24 Dy2 O20 143.86(9) . . ?
O14 Dy2 O20 123.04(9) . . ?
O13 Dy2 O20 133.33(9) . . ?
O17 Dy2 O20 79.29(8) . . ?
O22 Dy2 O20 52.83(8) . . ?
O24 Dy2 O19 74.13(9) . . ?
O14 Dy2 O19 127.06(8) . . ?
O13 Dy2 O19 146.34(8) . . ?
O17 Dy2 O19 51.74(8) . . ?
O22 Dy2 O19 119.90(9) . . ?
O20 Dy2 O19 69.78(9) . . ?
O24 Dy2 O16 94.00(9) . . ?
O14 Dy2 O16 63.99(8) . . ?
O13 Dy2 O16 130.19(7) . . ?
O17 Dy2 O16 124.96(8) . . ?
O22 Dy2 O16 75.13(9) . . ?
O20 Dy2 O16 74.44(8) . . ?
O19 Dy2 O16 73.85(8) . . ?
O24 Dy2 O15 120.48(9) . . ?
O14 Dy2 O15 119.70(8) . . ?
O13 Dy2 O15 62.59(7) . . ?
O17 Dy2 O15 66.54(8) . . ?
O22 Dy2 O15 72.42(9) . . ?
O20 Dy2 O15 76.85(9) . . ?
O19 Dy2 O15 113.21(8) . . ?
O16 Dy2 O15 145.52(8) . . ?
O24 Dy2 N8 163.10(10) . . ?
O14 Dy2 N8 100.42(9) . . ?
O13 Dy2 N8 114.92(10) . . ?
O17 Dy2 N8 102.42(9) . . ?
O22 Dy2 N8 26.63(9) . . ?
O20 Dy2 N8 26.37(9) . . ?
O19 Dy2 N8 94.09(10) . . ?
O16 Dy2 N8 70.74(9) . . ?
O15 Dy2 N8 75.03(9) . . ?
O24 Dy2 N7 75.21(8) . . ?
O14 Dy2 N7 147.46(9) . . ?
O13 Dy2 N7 125.88(8) . . ?
O17 Dy2 N7 26.07(8) . . ?
O22 Dy2 N7 125.50(8) . . ?
O20 Dy2 N7 73.18(8) . . ?
O19 Dy2 N7 25.67(8) . . ?
O16 Dy2 N7 99.29(8) . . ?
O15 Dy2 N7 90.22(8) . . ?
N8 Dy2 N7 99.52(8) . . ?
O24 Dy2 Zn2 63.31(6) . . ?
O14 Dy2 Zn2 35.72(6) . . ?
O13 Dy2 Zn2 35.61(5) . . ?
O17 Dy2 Zn2 125.37(6) . . ?
O22 Dy2 Zn2 98.12(6) . . ?
O20 Dy2 Zn2 150.88(6) . . ?
O19 Dy2 Zn2 136.10(6) . . ?
O16 Dy2 Zn2 97.99(5) . . ?
O15 Dy2 Zn2 97.83(5) . . ?
N8 Dy2 Zn2 124.51(7) . . ?
N7 Dy2 Zn2 135.88(5) . . ?
O11 Zn1 O2 105.48(10) . . ?
O11 Zn1 N1 112.01(11) . . ?
O2 Zn1 N1 139.40(10) . . ?
O11 Zn1 N2 104.77(11) . . ?
O2 Zn1 N2 87.40(10) . . ?
N1 Zn1 N2 97.43(11) . . ?
O11 Zn1 O1 93.84(10) . . ?
O2 Zn1 O1 75.31(9) . . ?
N1 Zn1 O1 86.96(10) . . ?
N2 Zn1 O1 157.49(11) . . ?
O11 Zn1 Dy1 86.43(7) . . ?
O2 Zn1 Dy1 40.85(6) . . ?
N1 Zn1 Dy1 125.98(8) . . ?
N2 Zn1 Dy1 127.51(8) . . ?
O1 Zn1 Dy1 39.96(6) . . ?
O23 Zn2 O13 103.95(10) . . ?
O23 Zn2 N6 116.90(10) . . ?
O13 Zn2 N6 136.37(10) . . ?
O23 Zn2 O14 93.52(10) . . ?
O13 Zn2 O14 75.05(9) . . ?
N6 Zn2 O14 87.28(10) . . ?
O23 Zn2 N5 102.88(11) . . ?
O13 Zn2 N5 88.91(10) . . ?
N6 Zn2 N5 96.03(11) . . ?
O14 Zn2 N5 159.47(10) . . ?
O23 Zn2 Dy2 84.82(7) . . ?
O13 Zn2 Dy2 40.83(6) . . ?
N6 Zn2 Dy2 125.86(8) . . ?
O14 Zn2 Dy2 40.03(6) . . ?
N5 Zn2 Dy2 128.60(8) . . ?
C18 O1 Zn1 127.5(2) . . ?
C18 O1 Dy1 126.51(19) . . ?
Zn1 O1 Dy1 104.00(9) . . ?
C1 O2 Zn1 126.2(2) . . ?
C1 O2 Dy1 127.6(2) . . ?
Zn1 O2 Dy1 103.66(9) . . ?
C2 O4 C20 115.9(3) . . ?
C2 O4 Dy1 119.42(18) . . ?
C20 O4 Dy1 124.3(2) . . ?
C17 O3 C19 116.0(2) . . ?
C17 O3 Dy1 117.86(18) . . ?
C19 O3 Dy1 125.97(18) . . ?
C21 O13 Zn2 125.80(19) . . ?
C21 O13 Dy2 129.45(19) . . ?
Zn2 O13 Dy2 103.56(9) . . ?
C38 O14 Zn2 125.94(19) . . ?
C38 O14 Dy2 127.96(19) . . ?
Zn2 O14 Dy2 104.25(10) . . ?
C22 O15 C40 115.4(3) . . ?
C22 O15 Dy2 118.31(18) . . ?
C40 O15 Dy2 126.2(2) . . ?
C37 O16 C39 115.3(3) . . ?
C37 O16 Dy2 117.77(18) . . ?
C39 O16 Dy2 126.6(2) . . ?
N3 O5 Dy1 94.9(2) . . ?
N3 O7 Dy1 95.41(19) . . ?
N4 O10 Dy1 94.91(19) . . ?
N4 O8 Dy1 96.30(19) . . ?
C41 O12 Dy1 142.1(2) . . ?
C41 O11 Zn1 122.2(2) . . ?
N7 O19 Dy2 94.70(18) . . ?
N7 O17 Dy2 97.75(18) . . ?
N8 O20 Dy2 94.92(19) . . ?
N8 O22 Dy2 95.0(2) . . ?
C43 O23 Zn2 122.7(2) . . ?
C43 O24 Dy2 140.3(2) . . ?
C12 N1 C11 117.1(3) . . ?
C12 N1 Zn1 125.5(2) . . ?
C11 N1 Zn1 117.4(2) . . ?
C7 N2 C8 114.8(3) . . ?
C7 N2 Zn1 125.0(2) . . ?
C8 N2 Zn1 120.2(2) . . ?
C27 N5 C28 116.1(3) . . ?
C27 N5 Zn2 124.1(2) . . ?
C28 N5 Zn2 119.7(2) . . ?
C32 N6 C31 116.4(3) . . ?
C32 N6 Zn2 125.5(2) . . ?
C31 N6 Zn2 118.1(2) . . ?
O6 N3 O7 122.6(3) . . ?
O6 N3 O5 121.1(3) . . ?
O7 N3 O5 116.3(3) . . ?
O6 N3 Dy1 172.8(2) . . ?
O7 N3 Dy1 58.23(16) . . ?
O5 N3 Dy1 58.49(17) . . ?
O9 N4 O8 121.8(3) . . ?
O9 N4 O10 121.9(3) . . ?
O8 N4 O10 116.3(3) . . ?
O9 N4 Dy1 175.0(3) . . ?
O8 N4 Dy1 57.68(16) . . ?
O10 N4 Dy1 58.94(16) . . ?
O21 N8 O20 121.8(3) . . ?
O21 N8 O22 121.7(3) . . ?
O20 N8 O22 116.5(3) . . ?
O21 N8 Dy2 171.6(3) . . ?
O20 N8 Dy2 58.71(17) . . ?
O22 N8 Dy2 58.35(17) . . ?
O18 N7 O19 123.6(3) . . ?
O18 N7 O17 120.6(3) . . ?
O19 N7 O17 115.8(3) . . ?
O18 N7 Dy2 176.7(2) . . ?
O19 N7 Dy2 59.62(16) . . ?
O17 N7 Dy2 56.18(15) . . ?
O2 C1 C6 124.9(3) . . ?
O2 C1 C2 116.7(3) . . ?
C6 C1 C2 118.4(3) . . ?
C3 C2 O4 126.0(3) . . ?
C3 C2 C1 121.7(3) . . ?
O4 C2 C1 112.3(3) . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 121.5(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 118.7(3) . . ?
C1 C6 C7 122.9(3) . . ?
C5 C6 C7 117.9(3) . . ?
N2 C7 C6 126.5(3) . . ?
N2 C7 H7 116.8 . . ?
C6 C7 H7 116.8 . . ?
N2 C8 C9 113.1(3) . . ?
N2 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
N2 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 115.6(3) . . ?
C10 C9 H9A 108.4 . . ?
C8 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
C8 C9 H9B 108.4 . . ?
H9A C9 H9B 107.4 . . ?
C9 C10 C11 116.1(3) . . ?
C9 C10 H10A 108.3 . . ?
C11 C10 H10A 108.3 . . ?
C9 C10 H10B 108.3 . . ?
C11 C10 H10B 108.3 . . ?
H10A C10 H10B 107.4 . . ?
N1 C11 C10 114.2(3) . . ?
N1 C11 H11A 108.7 . . ?
C10 C11 H11A 108.7 . . ?
N1 C11 H11B 108.7 . . ?
C10 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
N1 C12 C13 128.4(3) . . ?
N1 C12 H12 115.8 . . ?
C13 C12 H12 115.8 . . ?
C14 C13 C18 118.7(3) . . ?
C14 C13 C12 118.4(3) . . ?
C18 C13 C12 122.7(3) . . ?
C15 C14 C13 121.1(3) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C16 120.5(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 119.0(3) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 O3 126.0(3) . . ?
C16 C17 C18 121.7(3) . . ?
O3 C17 C18 112.4(3) . . ?
O1 C18 C13 122.8(3) . . ?
O1 C18 C17 118.3(3) . . ?
C13 C18 C17 118.9(3) . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O4 C20 H20A 109.5 . . ?
O4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O13 C21 C26 124.6(3) . . ?
O13 C21 C22 116.8(3) . . ?
C26 C21 C22 118.5(3) . . ?
C23 C22 O15 125.2(3) . . ?
C23 C22 C21 122.0(3) . . ?
O15 C22 C21 112.7(3) . . ?
C22 C23 C24 119.2(4) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C25 C24 C23 119.8(4) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 121.7(4) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C21 C26 C25 118.8(3) . . ?
C21 C26 C27 124.0(3) . . ?
C25 C26 C27 116.8(3) . . ?
N5 C27 C26 127.0(3) . . ?
N5 C27 H27 116.5 . . ?
C26 C27 H27 116.5 . . ?
N5 C28 C29 113.6(3) . . ?
N5 C28 H28A 108.8 . . ?
C29 C28 H28A 108.8 . . ?
N5 C28 H28B 108.8 . . ?
C29 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C28 115.7(3) . . ?
C30 C29 H29A 108.4 . . ?
C28 C29 H29A 108.4 . . ?
C30 C29 H29B 108.4 . . ?
C28 C29 H29B 108.4 . . ?
H29A C29 H29B 107.4 . . ?
C29 C30 C31 115.4(3) . . ?
C29 C30 H30A 108.4 . . ?
C31 C30 H30A 108.4 . . ?
C29 C30 H30B 108.4 . . ?
C31 C30 H30B 108.4 . . ?
H30A C30 H30B 107.5 . . ?
N6 C31 C30 111.8(3) . . ?
N6 C31 H31A 109.3 . . ?
C30 C31 H31A 109.3 . . ?
N6 C31 H31B 109.3 . . ?
C30 C31 H31B 109.3 . . ?
H31A C31 H31B 107.9 . . ?
N6 C32 C33 127.4(3) . . ?
N6 C32 H32 116.3 . . ?
C33 C32 H32 116.3 . . ?
C38 C33 C34 119.3(3) . . ?
C38 C33 C32 122.9(3) . . ?
C34 C33 C32 117.6(3) . . ?
C35 C34 C33 120.7(3) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C37 C36 C35 119.4(3) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 O16 125.9(3) . . ?
C36 C37 C38 121.5(3) . . ?
O16 C37 C38 112.5(3) . . ?
O14 C38 C33 123.8(3) . . ?
O14 C38 C37 117.5(3) . . ?
C33 C38 C37 118.7(3) . . ?
O16 C39 H39A 109.5 . . ?
O16 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O16 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O15 C40 H40A 109.5 . . ?
O15 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O15 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O12 C41 O11 125.4(3) . . ?
O12 C41 C42 117.9(3) . . ?
O11 C41 C42 116.7(3) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O23 C43 O24 125.0(3) . . ?
O23 C43 C44 117.5(3) . . ?
O24 C43 C44 117.4(3) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
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
Dy1 O1 2.268(2) . ?
Dy1 O2 2.306(2) . ?
Dy1 O12 2.312(3) . ?
Dy1 O7 2.436(2) . ?
Dy1 O5 2.441(3) . ?
Dy1 O8 2.444(2) . ?
Dy1 O10 2.472(3) . ?
Dy1 O3 2.512(2) . ?
Dy1 O4 2.521(2) . ?
Dy1 N3 2.853(3) . ?
Dy1 N4 2.875(3) . ?
Dy1 Zn1 3.4257(5) . ?
Dy2 O24 2.273(3) . ?
Dy2 O14 2.275(2) . ?
Dy2 O13 2.305(2) . ?
Dy2 O17 2.434(2) . ?
Dy2 O22 2.435(3) . ?
Dy2 O20 2.444(2) . ?
Dy2 O19 2.513(2) . ?
Dy2 O16 2.539(2) . ?
Dy2 O15 2.587(2) . ?
Dy2 N8 2.849(3) . ?
Dy2 N7 2.903(3) . ?
Dy2 Zn2 3.4277(5) . ?
Zn1 O11 1.986(2) . ?
Zn1 O2 2.047(2) . ?
Zn1 N1 2.057(3) . ?
Zn1 N2 2.074(3) . ?
Zn1 O1 2.077(2) . ?
Zn2 O23 2.004(2) . ?
Zn2 O13 2.053(2) . ?
Zn2 N6 2.058(3) . ?
Zn2 O14 2.065(2) . ?
Zn2 N5 2.065(3) . ?
O1 C18 1.319(4) . ?
O2 C1 1.320(4) . ?
O4 C2 1.379(4) . ?
O4 C20 1.451(4) . ?
O3 C17 1.386(4) . ?
O3 C19 1.446(4) . ?
O13 C21 1.322(4) . ?
O14 C38 1.322(4) . ?
O15 C22 1.386(4) . ?
O15 C40 1.442(4) . ?
O16 C37 1.393(4) . ?
O16 C39 1.446(4) . ?
O5 N3 1.281(4) . ?
O7 N3 1.273(4) . ?
O6 N3 1.235(4) . ?
O10 N4 1.271(4) . ?
O8 N4 1.269(4) . ?
O9 N4 1.219(4) . ?
O12 C41 1.259(4) . ?
O11 C41 1.262(4) . ?
O19 N7 1.262(4) . ?
O17 N7 1.287(4) . ?
O18 N7 1.222(4) . ?
O20 N8 1.270(4) . ?
O22 N8 1.282(4) . ?
O21 N8 1.223(4) . ?
O23 C43 1.257(4) . ?
O24 C43 1.264(4) . ?
N1 C12 1.275(4) . ?
N1 C11 1.476(4) . ?
N2 C7 1.285(4) . ?
N2 C8 1.486(4) . ?
N5 C27 1.285(4) . ?
N5 C28 1.480(4) . ?
N6 C32 1.279(4) . ?
N6 C31 1.474(4) . ?
C1 C6 1.401(5) . ?
C1 C2 1.428(4) . ?
C2 C3 1.367(5) . ?
C3 C4 1.396(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.415(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.462(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.530(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.525(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.527(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.460(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.408(4) . ?
C13 C18 1.408(4) . ?
C14 C15 1.374(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.407(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.414(4) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C26 1.401(4) . ?
C21 C22 1.420(4) . ?
C22 C23 1.369(5) . ?
C23 C24 1.402(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.381(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.405(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.459(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.519(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.516(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.534(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.456(4) . ?
C32 H32 0.9300 . ?
C33 C38 1.397(4) . ?
C33 C34 1.412(4) . ?
C34 C35 1.374(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.404(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.368(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.414(4) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.525(5) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.515(5) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O7 N3 O6 171.5(3) . . . . ?
Dy1 O7 N3 O5 -7.4(3) . . . . ?
Dy1 O5 N3 O6 -171.5(3) . . . . ?
Dy1 O5 N3 O7 7.3(3) . . . . ?
Dy1 O8 N4 O9 174.2(3) . . . . ?
Dy1 O8 N4 O10 -6.3(3) . . . . ?
Dy1 O10 N4 O9 -174.3(3) . . . . ?
Dy1 O10 N4 O8 6.2(3) . . . . ?
Dy2 O20 N8 O21 170.2(4) . . . . ?
Dy2 O20 N8 O22 -8.5(3) . . . . ?
Dy2 O22 N8 O21 -170.2(4) . . . . ?
Dy2 O22 N8 O20 8.5(3) . . . . ?
Dy2 O19 N7 O18 -179.7(3) . . . . ?
Dy2 O19 N7 O17 1.5(3) . . . . ?
Dy2 O17 N7 O18 179.6(3) . . . . ?
Dy2 O17 N7 O19 -1.6(3) . . . . ?
Zn1 O2 C1 C6 -17.8(4) . . . . ?
Dy1 O2 C1 C6 -176.7(2) . . . . ?
Zn1 O2 C1 C2 165.4(2) . . . . ?
Dy1 O2 C1 C2 6.5(4) . . . . ?
C20 O4 C2 C3 -10.6(5) . . . . ?
Dy1 O4 C2 C3 176.6(3) . . . . ?
C20 O4 C2 C1 167.3(3) . . . . ?
Dy1 O4 C2 C1 -5.6(3) . . . . ?
O2 C1 C2 C3 178.1(3) . . . . ?
C6 C1 C2 C3 1.0(5) . . . . ?
O2 C1 C2 O4 0.1(4) . . . . ?
C6 C1 C2 O4 -176.9(3) . . . . ?
O4 C2 C3 C4 178.0(3) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C3 C4 C5 C6 1.2(6) . . . . ?
O2 C1 C6 C5 -178.0(3) . . . . ?
C2 C1 C6 C5 -1.2(5) . . . . ?
O2 C1 C6 C7 -6.3(5) . . . . ?
C2 C1 C6 C7 170.5(3) . . . . ?
C4 C5 C6 C1 0.1(6) . . . . ?
C4 C5 C6 C7 -172.0(4) . . . . ?
C8 N2 C7 C6 -170.9(3) . . . . ?
Zn1 N2 C7 C6 11.0(5) . . . . ?
C1 C6 C7 N2 9.8(5) . . . . ?
C5 C6 C7 N2 -178.4(3) . . . . ?
C7 N2 C8 C9 -163.1(3) . . . . ?
Zn1 N2 C8 C9 15.0(4) . . . . ?
N2 C8 C9 C10 76.3(4) . . . . ?
C8 C9 C10 C11 -55.9(4) . . . . ?
C12 N1 C11 C10 -109.2(3) . . . . ?
Zn1 N1 C11 C10 71.5(3) . . . . ?
C9 C10 C11 N1 -53.1(4) . . . . ?
C11 N1 C12 C13 -175.7(3) . . . . ?
Zn1 N1 C12 C13 3.6(5) . . . . ?
N1 C12 C13 C14 -171.9(4) . . . . ?
N1 C12 C13 C18 11.5(6) . . . . ?
C18 C13 C14 C15 -0.1(5) . . . . ?
C12 C13 C14 C15 -176.8(3) . . . . ?
C13 C14 C15 C16 -0.7(6) . . . . ?
C14 C15 C16 C17 0.7(5) . . . . ?
C15 C16 C17 O3 179.7(3) . . . . ?
C15 C16 C17 C18 0.2(5) . . . . ?
C19 O3 C17 C16 0.6(5) . . . . ?
Dy1 O3 C17 C16 -175.4(3) . . . . ?
C19 O3 C17 C18 -179.8(3) . . . . ?
Dy1 O3 C17 C18 4.2(3) . . . . ?
Zn1 O1 C18 C13 -22.0(4) . . . . ?
Dy1 O1 C18 C13 176.7(2) . . . . ?
Zn1 O1 C18 C17 159.0(2) . . . . ?
Dy1 O1 C18 C17 -2.3(4) . . . . ?
C14 C13 C18 O1 -178.0(3) . . . . ?
C12 C13 C18 O1 -1.5(5) . . . . ?
C14 C13 C18 C17 1.0(5) . . . . ?
C12 C13 C18 C17 177.5(3) . . . . ?
C16 C17 C18 O1 178.0(3) . . . . ?
O3 C17 C18 O1 -1.5(4) . . . . ?
C16 C17 C18 C13 -1.0(5) . . . . ?
O3 C17 C18 C13 179.4(3) . . . . ?
Zn2 O13 C21 C26 -15.7(4) . . . . ?
Dy2 O13 C21 C26 178.9(2) . . . . ?
Zn2 O13 C21 C22 168.6(2) . . . . ?
Dy2 O13 C21 C22 3.1(4) . . . . ?
C40 O15 C22 C23 -2.5(5) . . . . ?
Dy2 O15 C22 C23 -179.2(3) . . . . ?
C40 O15 C22 C21 174.7(3) . . . . ?
Dy2 O15 C22 C21 -2.1(4) . . . . ?
O13 C21 C22 C23 177.0(4) . . . . ?
C26 C21 C22 C23 1.0(5) . . . . ?
O13 C21 C22 O15 -0.2(4) . . . . ?
C26 C21 C22 O15 -176.3(3) . . . . ?
O15 C22 C23 C24 177.1(4) . . . . ?
C21 C22 C23 C24 0.2(7) . . . . ?
C22 C23 C24 C25 -0.8(8) . . . . ?
C23 C24 C25 C26 0.2(9) . . . . ?
O13 C21 C26 C25 -177.3(4) . . . . ?
C22 C21 C26 C25 -1.6(5) . . . . ?
O13 C21 C26 C27 -4.6(5) . . . . ?
C22 C21 C26 C27 171.1(3) . . . . ?
C24 C25 C26 C21 1.1(7) . . . . ?
C24 C25 C26 C27 -172.1(5) . . . . ?
C28 N5 C27 C26 -171.1(3) . . . . ?
Zn2 N5 C27 C26 11.0(5) . . . . ?
C21 C26 C27 N5 7.1(6) . . . . ?
C25 C26 C27 N5 179.9(4) . . . . ?
C27 N5 C28 C29 -162.0(3) . . . . ?
Zn2 N5 C28 C29 15.9(4) . . . . ?
N5 C28 C29 C30 76.3(4) . . . . ?
C28 C29 C30 C31 -54.1(4) . . . . ?
C32 N6 C31 C30 -105.6(3) . . . . ?
Zn2 N6 C31 C30 73.7(3) . . . . ?
C29 C30 C31 N6 -54.8(4) . . . . ?
C31 N6 C32 C33 -178.0(3) . . . . ?
Zn2 N6 C32 C33 2.8(5) . . . . ?
N6 C32 C33 C38 12.8(5) . . . . ?
N6 C32 C33 C34 -172.0(3) . . . . ?
C38 C33 C34 C35 -3.0(5) . . . . ?
C32 C33 C34 C35 -178.4(3) . . . . ?
C33 C34 C35 C36 1.9(6) . . . . ?
C34 C35 C36 C37 0.8(5) . . . . ?
C35 C36 C37 O16 177.2(3) . . . . ?
C35 C36 C37 C38 -2.4(5) . . . . ?
C39 O16 C37 C36 -1.0(5) . . . . ?
Dy2 O16 C37 C36 -175.4(3) . . . . ?
C39 O16 C37 C38 178.6(3) . . . . ?
Dy2 O16 C37 C38 4.2(3) . . . . ?
Zn2 O14 C38 C33 -24.3(4) . . . . ?
Dy2 O14 C38 C33 173.6(2) . . . . ?
Zn2 O14 C38 C37 158.0(2) . . . . ?
Dy2 O14 C38 C37 -4.0(4) . . . . ?
C34 C33 C38 O14 -176.1(3) . . . . ?
C32 C33 C38 O14 -0.9(5) . . . . ?
C34 C33 C38 C37 1.5(5) . . . . ?
C32 C33 C38 C37 176.7(3) . . . . ?
C36 C37 C38 O14 179.0(3) . . . . ?
O16 C37 C38 O14 -0.7(4) . . . . ?
C36 C37 C38 C33 1.2(5) . . . . ?
O16 C37 C38 C33 -178.4(3) . . . . ?
Dy1 O12 C41 O11 17.1(7) . . . . ?
Dy1 O12 C41 C42 -164.5(3) . . . . ?
Zn1 O11 C41 O12 -2.8(6) . . . . ?
Zn1 O11 C41 C42 178.8(3) . . . . ?
Zn2 O23 C43 O24 -13.2(5) . . . . ?
Zn2 O23 C43 C44 168.5(3) . . . . ?
Dy2 O24 C43 O23 29.9(6) . . . . ?
Dy2 O24 C43 C44 -151.8(3) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168350033
