# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_complex1-gdzn
_database_code_depnum_ccdc_archive 'CCDC 2321631'
loop_
_audit_author_name
_audit_author_address
'LiCun Li'
;Nankai University, Tianjin
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-05-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-25
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H72 F60 Gd2 N10 O26 Zn2'
_chemical_formula_sum            'C100 H72 F60 Gd2 N10 O26 Zn2'
_chemical_formula_weight         3414.91
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.3666(2)
_cell_length_b                   15.3987(2)
_cell_length_c                   16.6493(3)
_cell_angle_alpha                65.329(2)
_cell_angle_beta                 88.4220(10)
_cell_angle_gamma                75.8390(10)
_cell_volume                     3233.71(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    21621
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      29.1790
_cell_measurement_theta_min      1.9290
_shelx_estimated_absorpt_T_max   0.862
_shelx_estimated_absorpt_T_min   0.656
_exptl_absorpt_coefficient_mu    1.535
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1678
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0879
_diffrn_reflns_av_unetI/netI     0.1095
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.902
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            84732
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.706
_diffrn_reflns_theta_min         1.813
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50    2.00    --  -20.00   0.00   0.00  360
  2  ω   -110.00  55.00   0.50    2.00    --  -20.00   0.00  90.00  330
  3  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00   0.00  234
  4  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00 180.00  234
  5  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00  90.00  234
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0474226000
_diffrn_orient_matrix_UB_12      -0.0316593000
_diffrn_orient_matrix_UB_13      0.0090500000
_diffrn_orient_matrix_UB_21      0.0135553000
_diffrn_orient_matrix_UB_22      0.0240231000
_diffrn_orient_matrix_UB_23      0.0245577000
_diffrn_orient_matrix_UB_31      -0.0138143000
_diffrn_orient_matrix_UB_32      -0.0338783000
_diffrn_orient_matrix_UB_33      0.0393267000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15261
_reflns_number_total             25122
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.678
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     909
_refine_ls_number_reflns         25122
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1417
_refine_ls_R_factor_gt           0.0838
_refine_ls_restrained_S_all      0.975
_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)+(0.0959P)²+7.3192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1836
_refine_ls_wR_factor_ref         0.2188
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 F4, C11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C19(H19), C18(H18), C17(H17), C13(H13), C26(H26), C24(H24),
 C20(H20), C43(H43), C48(H48), C3(H3), C8(H8)
3.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,
 H40C), C29(H29A,H29B,H29C), C33(H33A,H33B,H33C), C32(H32A,H32B,H32C), C30(H30A,
 H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Gd1 Gd 0.39771(2) 0.96722(2) 0.45158(2) 0.03071(8) Uani 1 1 d . . . . .
Zn1 Zn 0.81711(4) 0.33456(4) 0.82621(4) 0.03637(14) Uani 1 1 d . . . . .
O7 O 0.5192(2) 0.9095(2) 0.5693(2) 0.0325(7) Uani 1 1 d . . . . .
O12 O 0.8952(3) 0.2505(3) 0.9497(3) 0.0514(10) Uani 1 1 d . . . . .
O4 O 0.4289(3) 0.7983(3) 0.4827(2) 0.0393(8) Uani 1 1 d . . . . .
F30 F 0.7958(3) 0.6327(3) 0.8329(3) 0.0643(10) Uani 1 1 d . . . . .
O3 O 0.5447(3) 0.9200(3) 0.3879(3) 0.0435(9) Uani 1 1 d . . . . .
O11 O 0.8271(3) 0.4559(3) 0.8391(2) 0.0419(8) Uani 1 1 d . . . . .
O2 O 0.3725(3) 1.0464(3) 0.2961(2) 0.0445(9) Uani 1 1 d . . . . .
O10 O 0.9277(3) 0.2805(3) 0.7721(3) 0.0539(11) Uani 1 1 d . . . . .
O6 O 0.3111(3) 0.9316(3) 0.5790(2) 0.0421(9) Uani 1 1 d . . . . .
O9 O 0.7504(3) 0.4269(3) 0.7012(2) 0.0439(9) Uani 1 1 d . . . . .
F28 F 0.9495(3) 0.5854(3) 0.8581(3) 0.0718(12) Uani 1 1 d . . . . .
O5 O 0.2724(3) 1.1108(3) 0.4243(2) 0.0402(8) Uani 1 1 d . . . . .
N1 N 0.5731(3) 0.6485(3) 0.7912(3) 0.0322(8) Uani 1 1 d . . . . .
O1 O 0.2566(3) 0.9354(3) 0.4091(3) 0.0438(9) Uani 1 1 d . . . . .
N5 N 0.7108(3) 0.2667(3) 0.8822(3) 0.0343(9) Uani 1 1 d . . . . .
F29 F 0.8620(4) 0.5752(3) 0.9645(3) 0.0812(14) Uani 1 1 d . . . . .
F13 F 0.2657(3) 0.8521(4) 0.7429(3) 0.0944(18) Uani 1 1 d . . . . .
F17 F 0.4696(4) 0.6154(4) 0.4044(4) 0.0901(16) Uani 1 1 d . . . . .
F2 F 0.3329(4) 1.2121(3) 0.1335(3) 0.0809(14) Uani 1 1 d . . . . .
O8 O 0.5679(3) 0.6343(3) 1.0918(3) 0.0576(12) Uani 1 1 d . . . . .
C22 C 0.6100(3) 0.4689(4) 0.8686(3) 0.0335(10) Uani 1 1 d . . . . .
H22 H 0.597650 0.466140 0.814005 0.040 Uiso 1 1 calc R U . . .
O13 O 0.5789(3) 0.2073(3) 1.0635(3) 0.0566(12) Uani 1 1 d . . . . .
N4 N 0.6284(4) 0.2082(4) 0.9991(3) 0.0463(11) Uani 1 1 d . . . . .
N2 N 0.6371(4) 0.5576(4) 1.1338(3) 0.0479(12) Uani 1 1 d . . . . .
F16 F 0.4463(4) 0.5985(3) 0.5360(4) 0.0937(17) Uani 1 1 d . . . . .
C21 C 0.5978(3) 0.5584(4) 0.8725(3) 0.0327(10) Uani 1 1 d . . . . .
F18 F 0.3340(4) 0.6883(4) 0.4343(5) 0.1037(19) Uani 1 1 d . . . . .
F11 F 0.0935(4) 1.2195(4) 0.3267(3) 0.0922(16) Uani 1 1 d . . . . .
C25 C 0.6453(4) 0.4784(4) 1.0281(3) 0.0352(10) Uani 1 1 d . . . . .
F10 F 0.1582(4) 1.2980(3) 0.3761(4) 0.0993(18) Uani 1 1 d . . . . .
C19 C 0.6185(4) 0.6537(4) 0.7170(3) 0.0338(10) Uani 1 1 d . . . . .
H19 H 0.663787 0.596731 0.717983 0.041 Uiso 1 1 calc R U . . .
C18 C 0.5084(4) 0.7299(4) 0.7907(4) 0.0365(11) Uani 1 1 d . . . . .
H18 H 0.476294 0.725304 0.842435 0.044 Uiso 1 1 calc R U . . .
C17 C 0.4888(4) 0.8183(4) 0.7168(3) 0.0344(10) Uani 1 1 d . . . . .
H17 H 0.444338 0.874591 0.718082 0.041 Uiso 1 1 calc R U . . .
C13 C 0.5341(4) 0.7759(5) 0.3754(4) 0.0485(14) Uani 1 1 d . . . . .
H13 H 0.556002 0.736094 0.344423 0.058 Uiso 1 1 calc R U . . .
C26 C 0.6141(4) 0.5647(4) 0.9512(3) 0.0349(10) Uani 1 1 d . . . . .
H26 H 0.604058 0.627357 0.952478 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6407(4) 0.3825(4) 0.9457(4) 0.0359(10) Uani 1 1 d . . . . .
C44 C 0.9446(5) 0.3172(6) 0.6925(5) 0.0545(16) Uani 1 1 d . . . . .
F12 F 0.0426(3) 1.2412(4) 0.4391(4) 0.104(2) Uani 1 1 d . . . . .
C24 C 0.6583(4) 0.3865(4) 1.0262(3) 0.0366(11) Uani 1 1 d . . . . .
H24 H 0.678875 0.327318 1.078930 0.044 Uiso 1 1 calc R U . . .
F14 F 0.1472(4) 0.9763(4) 0.7178(3) 0.0890(15) Uani 1 1 d . . . . .
C47 C 0.8683(4) 0.4601(4) 0.9020(4) 0.0404(11) Uani 1 1 d . . . . .
F15 F 0.1358(4) 0.8661(4) 0.6766(3) 0.0886(15) Uani 1 1 d . . . . .
F26 F 1.0145(7) 0.2347(4) 1.1340(4) 0.168(4) Uani 1 1 d . . . . .
C35 C 0.7035(4) 0.1678(4) 0.8886(4) 0.0434(12) Uani 1 1 d . . . . .
F8 F 0.0588(4) 0.9698(5) 0.2777(4) 0.0978(17) Uani 1 1 d . . . . .
F6 F 0.6581(5) 0.8319(6) 0.2446(5) 0.142(3) Uani 1 1 d . . . . .
C34 C 0.6604(4) 0.2874(4) 0.9395(4) 0.0372(11) Uani 1 1 d . . . . .
F22 F 1.0677(4) 0.1760(6) 0.7157(7) 0.152(3) Uani 1 1 d . . . . .
F21 F 0.7476(5) 0.6106(4) 0.5402(4) 0.114(2) Uani 1 1 d . . . . .
C49 C 0.9244(4) 0.2843(5) 0.9975(4) 0.0504(14) Uani 1 1 d . . . . .
F25 F 1.0402(6) 0.1359(5) 1.0749(4) 0.143(3) Uani 1 1 d . . . . .
C12 C 0.5703(4) 0.8577(4) 0.3587(4) 0.0435(13) Uani 1 1 d . . . . .
C16 C 0.5342(3) 0.8259(4) 0.6398(3) 0.0327(10) Uani 1 1 d . . . . .
C1 C 0.1208(4) 1.2215(5) 0.3996(5) 0.0552(16) Uani 1 1 d . . . . .
C14 C 0.4663(4) 0.7522(4) 0.4371(4) 0.0448(13) Uani 1 1 d . . . . .
C20 C 0.5997(4) 0.7397(4) 0.6413(3) 0.0346(10) Uani 1 1 d . . . . .
H20 H 0.630578 0.741704 0.589602 0.041 Uiso 1 1 calc R U . . .
N3 N 0.7371(4) 0.4095(4) 1.1691(3) 0.0628(16) Uani 1 1 d . . . . .
F7 F 0.1384(4) 0.8338(4) 0.3708(5) 0.129(3) Uani 1 1 d . . . . .
F1 F 0.4078(5) 1.0811(5) 0.1253(4) 0.1061(19) Uani 1 1 d . . . . .
F3 F 0.2600(5) 1.1355(5) 0.0870(3) 0.120(2) Uani 1 1 d . . . . .
F27 F 0.9143(6) 0.1565(6) 1.1331(4) 0.161(4) Uani 1 1 d . . . . .
C27 C 0.6738(4) 0.4799(4) 1.1110(4) 0.0438(13) Uani 1 1 d . . . . .
C43 C 0.8855(5) 0.3922(6) 0.6226(4) 0.0578(17) Uani 1 1 d . . . . .
H43 H 0.908309 0.411638 0.565237 0.069 Uiso 1 1 calc R U . . .
C42 C 0.7939(5) 0.4416(5) 0.6312(4) 0.0491(14) Uani 1 1 d . . . . .
C48 C 0.9139(5) 0.3834(5) 0.9808(4) 0.0513(15) Uani 1 1 d . . . . .
H48 H 0.938673 0.398362 1.024456 0.062 Uiso 1 1 calc R U . . .
F9 F 0.0644(4) 0.9445(7) 0.4111(4) 0.129(3) Uani 1 1 d . . . . .
F24 F 1.1087(4) 0.3014(6) 0.7029(6) 0.139(3) Uani 1 1 d . . . . .
C38 C 0.6732(5) 0.1172(4) 0.9854(5) 0.0545(16) Uani 1 1 d . . . . .
C46 C 0.8690(5) 0.5642(5) 0.8896(4) 0.0508(14) Uani 1 1 d . . . . .
F5 F 0.6623(5) 0.9583(5) 0.2623(5) 0.131(3) Uani 1 1 d . . . . .
C3 C 0.1687(5) 1.0655(5) 0.5391(5) 0.0605(18) Uani 1 1 d . . . . .
H3 H 0.107573 1.086830 0.557604 0.073 Uiso 1 1 calc R U . . .
C2 C 0.1955(4) 1.1254(5) 0.4582(4) 0.0483(14) Uani 1 1 d . . . . .
C36 C 0.6283(6) 0.1899(5) 0.8168(5) 0.0641(19) Uani 1 1 d . . . . .
H36A H 0.624846 0.128060 0.814716 0.096 Uiso 1 1 calc R U . . .
H36B H 0.645562 0.233888 0.759483 0.096 Uiso 1 1 calc R U . . .
H36C H 0.565510 0.222072 0.829354 0.096 Uiso 1 1 calc R U . . .
C37 C 0.8012(5) 0.1112(5) 0.8749(5) 0.0556(16) Uani 1 1 d . . . . .
H37A H 0.850196 0.104156 0.918555 0.083 Uiso 1 1 calc R U . . .
H37B H 0.818576 0.147671 0.814930 0.083 Uiso 1 1 calc R U . . .
H37C H 0.797561 0.045618 0.882317 0.083 Uiso 1 1 calc R U . . .
C39 C 0.5987(7) 0.0585(6) 0.9957(7) 0.083(3) Uani 1 1 d . . . . .
H39A H 0.627990 -0.001151 0.986901 0.125 Uiso 1 1 calc R U . . .
H39B H 0.543954 0.099273 0.951396 0.125 Uiso 1 1 calc R U . . .
H39C H 0.576337 0.039539 1.055285 0.125 Uiso 1 1 calc R U . . .
C41 C 0.7373(7) 0.5281(6) 0.5479(4) 0.068(2) Uani 1 1 d . . . . .
F23 F 1.0569(5) 0.2916(8) 0.5929(5) 0.178(4) Uani 1 1 d . . . . .
C50 C 0.9766(7) 0.2048(6) 1.0851(5) 0.070(2) Uani 1 1 d . . . . .
C31 C 0.7436(6) 0.4322(7) 1.2481(5) 0.082(3) Uani 1 1 d . . . . .
C11 C 0.6535(6) 0.8692(6) 0.3003(5) 0.068(2) Uani 1 1 d . U . . .
F4 F 0.7362(5) 0.8301(7) 0.3508(6) 0.161(3) Uani 1 1 d . U . . .
C15 C 0.4294(5) 0.6618(5) 0.4538(6) 0.0616(18) Uani 1 1 d . . . . .
C9 C 0.2049(4) 0.9690(5) 0.3407(5) 0.0511(14) Uani 1 1 d . . . . .
C6 C 0.3239(6) 1.1263(6) 0.1464(4) 0.0596(17) Uani 1 1 d . . . . .
C45 C 1.0463(6) 0.2697(8) 0.6760(7) 0.078(3) Uani 1 1 d . . . . .
C28 C 0.6971(6) 0.5449(7) 1.2113(5) 0.075(2) Uani 1 1 d . . . . .
F19 F 0.7538(8) 0.5190(6) 0.4781(4) 0.195(5) Uani 1 1 d . . . . .
C40 C 0.7609(6) 0.0580(5) 1.0562(5) 0.0625(18) Uani 1 1 d . . . . .
H40A H 0.738647 0.042069 1.115633 0.094 Uiso 1 1 calc R U . . .
H40B H 0.807158 0.098098 1.046542 0.094 Uiso 1 1 calc R U . . .
H40C H 0.792055 -0.003288 1.050849 0.094 Uiso 1 1 calc R U . . .
C4 C 0.2306(4) 0.9734(5) 0.5945(4) 0.0508(14) Uani 1 1 d . . . . .
C7 C 0.3056(4) 1.0637(5) 0.2400(4) 0.0516(15) Uani 1 1 d . . . . .
C29 C 0.6332(7) 0.5793(8) 1.2720(6) 0.104(4) Uani 1 1 d . . . . .
H29A H 0.609426 0.651470 1.243575 0.157 Uiso 1 1 calc R U . . .
H29B H 0.670406 0.559095 1.328197 0.157 Uiso 1 1 calc R U . . .
H29C H 0.578459 0.549464 1.283564 0.157 Uiso 1 1 calc R U . . .
C10 C 0.1134(5) 0.9291(6) 0.3499(6) 0.0652(19) Uani 1 1 d . . . . .
F20 F 0.6432(6) 0.5421(6) 0.5536(5) 0.182(4) Uani 1 1 d . . . . .
C33 C 0.6834(9) 0.3678(8) 1.3164(5) 0.123(5) Uani 1 1 d . . . . .
H33A H 0.690661 0.371117 1.373276 0.184 Uiso 1 1 calc R U . . .
H33B H 0.706591 0.298966 1.324588 0.184 Uiso 1 1 calc R U . . .
H33C H 0.615324 0.392775 1.293957 0.184 Uiso 1 1 calc R U . . .
C32 C 0.8474(8) 0.3975(11) 1.2856(8) 0.151(7) Uani 1 1 d . . . . .
H32A H 0.882464 0.445568 1.249096 0.227 Uiso 1 1 calc R U . . .
H32B H 0.876911 0.333127 1.285353 0.227 Uiso 1 1 calc R U . . .
H32C H 0.850139 0.391364 1.346515 0.227 Uiso 1 1 calc R U . . .
C30 C 0.7654(7) 0.6087(10) 1.1728(8) 0.115(4) Uani 1 1 d . . . . .
H30A H 0.810833 0.580860 1.139459 0.173 Uiso 1 1 calc R U . . .
H30B H 0.800913 0.611275 1.220822 0.173 Uiso 1 1 calc R U . . .
H30C H 0.728956 0.675635 1.133000 0.173 Uiso 1 1 calc R U . . .
C5 C 0.1951(5) 0.9157(6) 0.6835(5) 0.064(2) Uani 1 1 d . . . . .
C8 C 0.2222(5) 1.0328(5) 0.2546(4) 0.0547(15) Uani 1 1 d . . . . .
H8 H 0.175552 1.054456 0.206352 0.066 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Gd1 Gd1 3.9153(5) 2_676 ?
Gd1 O7 2.377(3) . ?
Gd1 O7 2.385(3) 2_676 ?
Gd1 O4 2.357(4) . ?
Gd1 O3 2.425(3) . ?
Gd1 O2 2.349(4) . ?
Gd1 O6 2.359(3) . ?
Gd1 O5 2.365(3) . ?
Gd1 O1 2.388(4) . ?
Zn1 O12 2.087(4) . ?
Zn1 O11 2.006(4) . ?
Zn1 O10 1.982(4) . ?
Zn1 O9 2.060(4) . ?
Zn1 N5 2.046(4) . ?
O7 C16 1.303(6) . ?
O12 C49 1.246(7) . ?
O4 C14 1.269(6) . ?
F30 C46 1.339(7) . ?
O3 C12 1.224(6) . ?
O11 C47 1.250(6) . ?
O2 C7 1.258(7) . ?
O10 C44 1.249(8) . ?
O6 C4 1.256(7) . ?
O9 C42 1.269(7) . ?
F28 C46 1.313(8) . ?
O5 C2 1.241(7) . ?
N1 C21 1.449(6) . ?
N1 C19 1.362(6) . ?
N1 C18 1.363(6) . ?
O1 C9 1.218(7) . ?
N5 C35 1.510(7) . ?
N5 C34 1.280(6) . ?
F29 C46 1.325(7) . ?
F13 C5 1.314(8) . ?
F17 C15 1.336(8) . ?
F2 C6 1.288(8) . ?
O8 N2 1.284(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.375(7) . ?
C22 C23 1.389(7) . ?
O13 N4 1.266(6) . ?
N4 C34 1.387(7) . ?
N4 C38 1.499(7) . ?
N2 C27 1.383(7) . ?
N2 C28 1.488(8) . ?
F16 C15 1.291(9) . ?
C21 C26 1.384(7) . ?
F18 C15 1.338(9) . ?
F11 C1 1.300(8) . ?
C25 C26 1.388(7) . ?
C25 C24 1.396(7) . ?
C25 C27 1.460(7) . ?
F10 C1 1.321(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.366(7) . ?
C18 H18 0.9500 . ?
C18 C17 1.371(7) . ?
C17 H17 0.9500 . ?
C17 C16 1.397(7) . ?
C13 H13 0.9500 . ?
C13 C12 1.398(9) . ?
C13 C14 1.394(8) . ?
C26 H26 0.9500 . ?
C23 C24 1.400(7) . ?
C23 C34 1.470(7) . ?
C44 C43 1.365(10) . ?
C44 C45 1.539(9) . ?
F12 C1 1.321(8) . ?
C24 H24 0.9500 . ?
F14 C5 1.335(9) . ?
C47 C48 1.386(8) . ?
C47 C46 1.531(8) . ?
F15 C5 1.311(9) . ?
F26 C50 1.277(9) . ?
C35 C38 1.572(9) . ?
C35 C36 1.505(9) . ?
C35 C37 1.528(8) . ?
F8 C10 1.278(9) . ?
F6 C11 1.272(9) . ?
F22 C45 1.270(12) . ?
F21 C41 1.268(9) . ?
C49 C48 1.402(9) . ?
C49 C50 1.520(9) . ?
F25 C50 1.288(11) . ?
C12 C11 1.516(9) . ?
C16 C20 1.418(6) . ?
C1 C2 1.539(8) . ?
C14 C15 1.525(9) . ?
C20 H20 0.9500 . ?
N3 C27 1.276(7) . ?
N3 C31 1.507(9) . ?
F7 C10 1.314(10) . ?
F1 C6 1.352(9) . ?
F3 C6 1.307(8) . ?
F27 C50 1.336(10) . ?
C43 H43 0.9500 . ?
C43 C42 1.385(9) . ?
C42 C41 1.532(10) . ?
C48 H48 0.9500 . ?
F9 C10 1.293(9) . ?
F24 C45 1.289(10) . ?
C38 C39 1.525(10) . ?
C38 C40 1.559(10) . ?
F5 C11 1.286(9) . ?
C3 H3 0.9500 . ?
C3 C2 1.387(9) . ?
C3 C4 1.410(9) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 F19 1.236(9) . ?
C41 F20 1.324(11) . ?
F23 C45 1.295(11) . ?
C31 C28 1.549(12) . ?
C31 C33 1.565(15) . ?
C31 C32 1.510(13) . ?
C11 F4 1.328(11) . ?
C9 C10 1.560(9) . ?
C9 C8 1.416(10) . ?
C6 C7 1.508(9) . ?
C28 C29 1.518(10) . ?
C28 C30 1.500(14) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C4 C5 1.524(9) . ?
C7 C8 1.375(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C8 H8 0.9500 . ?

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
O7 Gd1 Gd1 34.75(8) . 2_676 ?
O7 Gd1 Gd1 34.62(8) 2_676 2_676 ?
O7 Gd1 O7 69.37(13) 2_676 . ?
O7 Gd1 O3 75.08(12) 2_676 . ?
O7 Gd1 O3 76.50(13) . . ?
O7 Gd1 O1 145.32(12) 2_676 . ?
O4 Gd1 Gd1 113.68(9) . 2_676 ?
O4 Gd1 O7 140.49(12) . 2_676 ?
O4 Gd1 O7 83.54(12) . . ?
O4 Gd1 O3 70.86(13) . . ?
O4 Gd1 O2 103.32(14) . . ?
O4 Gd1 O6 87.02(13) . . ?
O4 Gd1 O5 143.22(13) . . ?
O4 Gd1 O1 70.70(13) . . ?
O3 Gd1 Gd1 72.64(10) . 2_676 ?
O2 Gd1 Gd1 113.83(9) . 2_676 ?
O2 Gd1 O7 141.58(13) . . ?
O2 Gd1 O7 83.24(13) . 2_676 ?
O2 Gd1 O3 70.60(14) . . ?
O2 Gd1 O5 76.43(14) . . ?
O2 Gd1 O1 72.07(13) . . ?
O6 Gd1 Gd1 95.29(10) . 2_676 ?
O6 Gd1 O7 112.58(13) . 2_676 ?
O6 Gd1 O7 76.51(12) . . ?
O6 Gd1 O3 146.69(13) . . ?
O6 Gd1 O2 140.74(13) . . ?
O6 Gd1 O5 73.29(13) . . ?
O6 Gd1 O1 76.17(14) . . ?
O5 Gd1 Gd1 99.11(10) . 2_676 ?
O5 Gd1 O7 119.90(12) . . ?
O5 Gd1 O7 76.30(12) . 2_676 ?
O5 Gd1 O3 138.25(13) . . ?
O5 Gd1 O1 74.51(14) . . ?
O1 Gd1 Gd1 170.43(10) . 2_676 ?
O1 Gd1 O7 143.07(12) . . ?
O1 Gd1 O3 116.89(14) . . ?
O11 Zn1 O12 87.91(16) . . ?
O11 Zn1 O9 87.56(16) . . ?
O11 Zn1 N5 120.43(16) . . ?
O10 Zn1 O12 88.46(19) . . ?
O10 Zn1 O11 113.64(18) . . ?
O10 Zn1 O9 89.48(17) . . ?
O10 Zn1 N5 125.33(18) . . ?
O9 Zn1 O12 173.80(18) . . ?
N5 Zn1 O12 86.04(18) . . ?
N5 Zn1 O9 99.91(17) . . ?
Gd1 O7 Gd1 110.63(13) 2_676 . ?
C16 O7 Gd1 123.5(3) . 2_676 ?
C16 O7 Gd1 125.6(3) . . ?
C49 O12 Zn1 125.4(4) . . ?
C14 O4 Gd1 130.5(4) . . ?
C12 O3 Gd1 131.4(4) . . ?
C47 O11 Zn1 127.7(4) . . ?
C7 O2 Gd1 135.2(4) . . ?
C44 O10 Zn1 126.3(4) . . ?
C4 O6 Gd1 133.2(4) . . ?
C42 O9 Zn1 122.9(4) . . ?
C2 O5 Gd1 132.9(4) . . ?
C19 N1 C21 120.2(4) . . ?
C18 N1 C21 119.7(4) . . ?
C18 N1 C19 120.0(4) . . ?
C9 O1 Gd1 134.8(4) . . ?
C35 N5 Zn1 125.6(3) . . ?
C34 N5 Zn1 121.7(4) . . ?
C34 N5 C35 109.4(4) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 H22 120.6 . . ?
C23 C22 C21 118.9(5) . . ?
O13 N4 C34 126.1(5) . . ?
O13 N4 C38 123.4(5) . . ?
C34 N4 C38 109.9(4) . . ?
O8 N2 C27 126.9(5) . . ?
O8 N2 C28 123.4(5) . . ?
C27 N2 C28 109.4(5) . . ?
C22 C21 N1 119.2(4) . . ?
C22 C21 C26 121.8(5) . . ?
C26 C21 N1 118.9(4) . . ?
C26 C25 C24 120.2(5) . . ?
C26 C25 C27 121.9(5) . . ?
C24 C25 C27 117.7(5) . . ?
N1 C19 H19 119.6 . . ?
C20 C19 N1 120.9(4) . . ?
C20 C19 H19 119.6 . . ?
N1 C18 H18 119.4 . . ?
C17 C18 N1 121.1(5) . . ?
C17 C18 H18 119.4 . . ?
C18 C17 H17 119.9 . . ?
C18 C17 C16 120.1(4) . . ?
C16 C17 H17 119.9 . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C14 C13 C12 120.7(5) . . ?
C21 C26 H26 120.4 . . ?
C25 C26 C21 119.3(4) . . ?
C25 C26 H26 120.4 . . ?
C22 C23 C24 120.6(4) . . ?
C22 C23 C34 118.4(5) . . ?
C24 C23 C34 120.8(5) . . ?
O10 C44 C43 128.0(6) . . ?
O10 C44 C45 113.0(7) . . ?
C43 C44 C45 119.0(7) . . ?
C25 C24 C23 119.2(5) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
O11 C47 C48 128.7(5) . . ?
O11 C47 C46 115.3(5) . . ?
C48 C47 C46 115.9(5) . . ?
N5 C35 C38 102.7(4) . . ?
N5 C35 C36 106.3(5) . . ?
N5 C35 C37 109.4(5) . . ?
C36 C35 C38 114.2(6) . . ?
C36 C35 C37 111.1(5) . . ?
C37 C35 C38 112.6(5) . . ?
N5 C34 N4 112.7(4) . . ?
N5 C34 C23 124.9(5) . . ?
N4 C34 C23 122.4(4) . . ?
O12 C49 C48 128.5(6) . . ?
O12 C49 C50 113.4(6) . . ?
C48 C49 C50 118.1(6) . . ?
O3 C12 C13 127.5(5) . . ?
O3 C12 C11 115.8(6) . . ?
C13 C12 C11 116.6(5) . . ?
O7 C16 C17 121.6(4) . . ?
O7 C16 C20 120.7(4) . . ?
C17 C16 C20 117.7(5) . . ?
F11 C1 C2 111.6(5) . . ?
F10 C1 F11 106.7(7) . . ?
F10 C1 F12 106.3(6) . . ?
F10 C1 C2 110.4(6) . . ?
F12 C1 F11 107.6(6) . . ?
F12 C1 C2 113.8(6) . . ?
O4 C14 C13 127.4(6) . . ?
O4 C14 C15 113.6(5) . . ?
C13 C14 C15 119.0(5) . . ?
C19 C20 C16 120.1(4) . . ?
C19 C20 H20 119.9 . . ?
C16 C20 H20 119.9 . . ?
C27 N3 C31 108.6(5) . . ?
N2 C27 C25 124.0(5) . . ?
N3 C27 N2 113.2(5) . . ?
N3 C27 C25 122.8(5) . . ?
C44 C43 H43 118.3 . . ?
C44 C43 C42 123.3(6) . . ?
C42 C43 H43 118.3 . . ?
O9 C42 C43 128.1(6) . . ?
O9 C42 C41 114.0(6) . . ?
C43 C42 C41 117.9(6) . . ?
C47 C48 C49 121.6(5) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
N4 C38 C35 98.9(4) . . ?
N4 C38 C39 109.4(5) . . ?
N4 C38 C40 106.3(5) . . ?
C39 C38 C35 115.5(6) . . ?
C39 C38 C40 112.3(6) . . ?
C40 C38 C35 113.1(6) . . ?
F30 C46 F29 106.8(6) . . ?
F30 C46 C47 111.4(5) . . ?
F28 C46 F30 107.8(6) . . ?
F28 C46 F29 106.7(5) . . ?
F28 C46 C47 110.8(5) . . ?
F29 C46 C47 113.1(5) . . ?
C2 C3 H3 119.4 . . ?
C2 C3 C4 121.2(6) . . ?
C4 C3 H3 119.4 . . ?
O5 C2 C1 114.1(6) . . ?
O5 C2 C3 128.4(6) . . ?
C3 C2 C1 117.5(5) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
F21 C41 C42 112.3(6) . . ?
F21 C41 F19 110.1(8) . . ?
F21 C41 F20 100.5(9) . . ?
F19 C41 C42 114.6(8) . . ?
F19 C41 F20 106.6(8) . . ?
F20 C41 C42 111.7(6) . . ?
F26 C50 C49 116.2(7) . . ?
F26 C50 F27 106.6(8) . . ?
F25 C50 F26 109.4(8) . . ?
F25 C50 C49 112.2(7) . . ?
F25 C50 F27 102.6(8) . . ?
F27 C50 C49 108.9(7) . . ?
N3 C31 C28 103.8(5) . . ?
N3 C31 C33 103.8(8) . . ?
C28 C31 C33 113.8(7) . . ?
C32 C31 N3 109.0(6) . . ?
C32 C31 C28 116.2(10) . . ?
C32 C31 C33 109.3(9) . . ?
F6 C11 C12 116.0(7) . . ?
F6 C11 F5 110.5(7) . . ?
F6 C11 F4 108.4(7) . . ?
F5 C11 C12 113.7(6) . . ?
F5 C11 F4 96.9(9) . . ?
F4 C11 C12 109.5(7) . . ?
F17 C15 C14 112.1(6) . . ?
F16 C15 F17 107.8(6) . . ?
F16 C15 F18 107.2(7) . . ?
F16 C15 C14 111.6(6) . . ?
F18 C15 F17 107.4(7) . . ?
F18 C15 C14 110.4(6) . . ?
O1 C9 C10 114.7(6) . . ?
O1 C9 C8 127.7(6) . . ?
C8 C9 C10 117.5(6) . . ?
F2 C6 F1 105.3(7) . . ?
F2 C6 F3 109.7(6) . . ?
F2 C6 C7 114.4(6) . . ?
F1 C6 C7 109.8(6) . . ?
F3 C6 F1 103.7(7) . . ?
F3 C6 C7 113.1(6) . . ?
F22 C45 C44 112.3(7) . . ?
F22 C45 F23 106.4(8) . . ?
F24 C45 C44 109.5(6) . . ?
F24 C45 F22 108.8(10) . . ?
F24 C45 F23 106.7(9) . . ?
F23 C45 C44 112.9(8) . . ?
N2 C28 C31 99.1(6) . . ?
N2 C28 C29 109.7(6) . . ?
C31 C28 C29 115.9(8) . . ?
C30 C28 N2 105.3(7) . . ?
C30 C28 C31 114.9(8) . . ?
C30 C28 C29 110.7(8) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O6 C4 C3 127.9(6) . . ?
O6 C4 C5 115.5(6) . . ?
C3 C4 C5 116.5(5) . . ?
O2 C7 C6 112.9(6) . . ?
O2 C7 C8 128.1(6) . . ?
C8 C7 C6 118.9(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
F8 C10 F7 106.4(7) . . ?
F8 C10 F9 108.7(7) . . ?
F8 C10 C9 112.6(7) . . ?
F7 C10 C9 110.2(6) . . ?
F9 C10 F7 109.2(8) . . ?
F9 C10 C9 109.7(6) . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F13 C5 F14 106.6(6) . . ?
F13 C5 C4 112.7(5) . . ?
F14 C5 C4 111.1(7) . . ?
F15 C5 F13 107.2(7) . . ?
F15 C5 F14 106.5(5) . . ?
F15 C5 C4 112.4(6) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 C9 120.8(6) . . ?
C7 C8 H8 119.6 . . ?

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
Gd1 O7 C16 C17 83.6(5) 2_676 . . . ?
Gd1 O7 C16 C17 -90.3(5) . . . . ?
Gd1 O7 C16 C20 91.4(5) . . . . ?
Gd1 O7 C16 C20 -94.7(5) 2_676 . . . ?
Gd1 O4 C14 C13 29.2(9) . . . . ?
Gd1 O4 C14 C15 -150.1(5) . . . . ?
Gd1 O3 C12 C13 -19.7(9) . . . . ?
Gd1 O3 C12 C11 162.7(5) . . . . ?
Gd1 O2 C7 C6 175.2(4) . . . . ?
Gd1 O2 C7 C8 -5.0(11) . . . . ?
Gd1 O6 C4 C3 -7.5(11) . . . . ?
Gd1 O6 C4 C5 170.9(5) . . . . ?
Gd1 O5 C2 C1 -159.7(4) . . . . ?
Gd1 O5 C2 C3 18.0(10) . . . . ?
Gd1 O1 C9 C10 -174.3(4) . . . . ?
Gd1 O1 C9 C8 11.0(10) . . . . ?
Zn1 O12 C49 C48 -0.9(10) . . . . ?
Zn1 O12 C49 C50 178.2(5) . . . . ?
Zn1 O11 C47 C48 -3.2(9) . . . . ?
Zn1 O11 C47 C46 176.1(4) . . . . ?
Zn1 O10 C44 C43 -11.0(10) . . . . ?
Zn1 O10 C44 C45 167.9(5) . . . . ?
Zn1 O9 C42 C43 9.1(9) . . . . ?
Zn1 O9 C42 C41 -168.1(4) . . . . ?
Zn1 N5 C35 C38 137.7(4) . . . . ?
Zn1 N5 C35 C36 -102.1(5) . . . . ?
Zn1 N5 C35 C37 18.0(6) . . . . ?
Zn1 N5 C34 N4 -150.6(4) . . . . ?
Zn1 N5 C34 C23 26.9(8) . . . . ?
O7 C16 C20 C19 176.7(5) . . . . ?
O12 C49 C48 C47 -1.7(11) . . . . ?
O12 C49 C50 F26 174.9(9) . . . . ?
O12 C49 C50 F25 48.0(10) . . . . ?
O12 C49 C50 F27 -64.8(10) . . . . ?
O4 C14 C15 F17 179.5(6) . . . . ?
O4 C14 C15 F16 -59.4(7) . . . . ?
O4 C14 C15 F18 59.8(8) . . . . ?
O3 C12 C11 F6 -154.7(7) . . . . ?
O3 C12 C11 F5 -24.9(11) . . . . ?
O3 C12 C11 F4 82.3(8) . . . . ?
O11 C47 C48 C49 4.0(11) . . . . ?
O11 C47 C46 F30 24.7(8) . . . . ?
O11 C47 C46 F28 -95.2(6) . . . . ?
O11 C47 C46 F29 145.1(6) . . . . ?
O2 C7 C8 C9 -3.6(11) . . . . ?
O10 C44 C43 C42 0.8(12) . . . . ?
O10 C44 C45 F22 45.6(10) . . . . ?
O10 C44 C45 F24 -75.4(10) . . . . ?
O10 C44 C45 F23 165.9(8) . . . . ?
O6 C4 C5 F13 24.6(10) . . . . ?
O6 C4 C5 F14 144.1(6) . . . . ?
O6 C4 C5 F15 -96.7(7) . . . . ?
O9 C42 C41 F21 83.5(9) . . . . ?
O9 C42 C41 F19 -150.0(9) . . . . ?
O9 C42 C41 F20 -28.6(10) . . . . ?
N1 C21 C26 C25 -174.9(5) . . . . ?
N1 C19 C20 C16 1.7(8) . . . . ?
N1 C18 C17 C16 1.1(8) . . . . ?
O1 C9 C10 F8 176.8(6) . . . . ?
O1 C9 C10 F7 -64.6(9) . . . . ?
O1 C9 C10 F9 55.6(9) . . . . ?
O1 C9 C8 C7 0.6(11) . . . . ?
N5 C35 C38 N4 23.6(6) . . . . ?
N5 C35 C38 C39 140.2(6) . . . . ?
N5 C35 C38 C40 -88.4(6) . . . . ?
F2 C6 C7 O2 -60.3(9) . . . . ?
F2 C6 C7 C8 119.9(7) . . . . ?
O8 N2 C27 C25 7.0(10) . . . . ?
O8 N2 C27 N3 -174.3(7) . . . . ?
O8 N2 C28 C31 164.1(6) . . . . ?
O8 N2 C28 C29 42.3(11) . . . . ?
O8 N2 C28 C30 -76.9(9) . . . . ?
C22 C21 C26 C25 1.1(8) . . . . ?
C22 C23 C24 C25 -0.4(8) . . . . ?
C22 C23 C34 N5 47.7(8) . . . . ?
C22 C23 C34 N4 -135.0(6) . . . . ?
O13 N4 C34 N5 178.5(6) . . . . ?
O13 N4 C34 C23 0.9(9) . . . . ?
O13 N4 C38 C35 168.7(6) . . . . ?
O13 N4 C38 C39 47.5(9) . . . . ?
O13 N4 C38 C40 -73.9(7) . . . . ?
C21 N1 C19 C20 -176.5(5) . . . . ?
C21 N1 C18 C17 175.1(5) . . . . ?
C21 C22 C23 C24 0.4(8) . . . . ?
C21 C22 C23 C34 -175.6(5) . . . . ?
F11 C1 C2 O5 63.8(8) . . . . ?
F11 C1 C2 C3 -114.2(7) . . . . ?
F10 C1 C2 O5 -54.8(8) . . . . ?
F10 C1 C2 C3 127.3(7) . . . . ?
C19 N1 C21 C22 -43.3(7) . . . . ?
C19 N1 C21 C26 132.8(5) . . . . ?
C19 N1 C18 C17 -1.0(8) . . . . ?
C18 N1 C21 C22 140.6(5) . . . . ?
C18 N1 C21 C26 -43.3(7) . . . . ?
C18 N1 C19 C20 -0.4(8) . . . . ?
C18 C17 C16 O7 -178.1(5) . . . . ?
C18 C17 C16 C20 0.2(7) . . . . ?
C17 C16 C20 C19 -1.6(7) . . . . ?
C13 C12 C11 F6 27.4(10) . . . . ?
C13 C12 C11 F5 157.2(8) . . . . ?
C13 C12 C11 F4 -95.6(9) . . . . ?
C13 C14 C15 F17 0.1(9) . . . . ?
C13 C14 C15 F16 121.2(6) . . . . ?
C13 C14 C15 F18 -119.7(7) . . . . ?
C26 C25 C24 C23 0.8(8) . . . . ?
C26 C25 C27 N2 28.7(9) . . . . ?
C26 C25 C27 N3 -149.9(7) . . . . ?
C23 C22 C21 N1 175.2(4) . . . . ?
C23 C22 C21 C26 -0.8(8) . . . . ?
C44 C43 C42 O9 -0.2(12) . . . . ?
C44 C43 C42 C41 176.8(7) . . . . ?
F12 C1 C2 O5 -174.3(6) . . . . ?
F12 C1 C2 C3 7.8(10) . . . . ?
C24 C25 C26 C21 -1.1(8) . . . . ?
C24 C25 C27 N2 -156.9(6) . . . . ?
C24 C25 C27 N3 24.5(9) . . . . ?
C24 C23 C34 N5 -128.3(6) . . . . ?
C24 C23 C34 N4 49.1(8) . . . . ?
C35 N5 C34 N4 10.2(7) . . . . ?
C35 N5 C34 C23 -172.3(5) . . . . ?
C34 N5 C35 C38 -22.1(6) . . . . ?
C34 N5 C35 C36 98.1(6) . . . . ?
C34 N5 C35 C37 -141.9(5) . . . . ?
C34 N4 C38 C35 -19.6(7) . . . . ?
C34 N4 C38 C39 -140.8(7) . . . . ?
C34 N4 C38 C40 97.7(6) . . . . ?
C34 C23 C24 C25 175.5(5) . . . . ?
C12 C13 C14 O4 1.2(10) . . . . ?
C12 C13 C14 C15 -179.5(6) . . . . ?
C14 C13 C12 O3 -5.8(10) . . . . ?
C14 C13 C12 C11 171.8(6) . . . . ?
N3 C31 C28 N2 23.0(8) . . . . ?
N3 C31 C28 C29 140.1(8) . . . . ?
N3 C31 C28 C30 -88.6(8) . . . . ?
F1 C6 C7 O2 57.7(8) . . . . ?
F1 C6 C7 C8 -122.1(7) . . . . ?
F3 C6 C7 O2 173.0(7) . . . . ?
F3 C6 C7 C8 -6.8(10) . . . . ?
C27 N2 C28 C31 -21.4(8) . . . . ?
C27 N2 C28 C29 -143.2(8) . . . . ?
C27 N2 C28 C30 97.6(7) . . . . ?
C27 C25 C26 C21 173.2(5) . . . . ?
C27 C25 C24 C23 -173.7(5) . . . . ?
C27 N3 C31 C28 -18.6(9) . . . . ?
C27 N3 C31 C33 100.5(7) . . . . ?
C27 N3 C31 C32 -143.1(10) . . . . ?
C43 C44 C45 F22 -135.4(9) . . . . ?
C43 C44 C45 F24 103.6(10) . . . . ?
C43 C44 C45 F23 -15.1(12) . . . . ?
C43 C42 C41 F21 -94.0(9) . . . . ?
C43 C42 C41 F19 32.6(11) . . . . ?
C43 C42 C41 F20 154.0(8) . . . . ?
C48 C47 C46 F30 -155.9(6) . . . . ?
C48 C47 C46 F28 84.2(7) . . . . ?
C48 C47 C46 F29 -35.5(8) . . . . ?
C48 C49 C50 F26 -5.9(12) . . . . ?
C48 C49 C50 F25 -132.8(8) . . . . ?
C48 C49 C50 F27 114.4(8) . . . . ?
C38 N4 C34 N5 7.1(7) . . . . ?
C38 N4 C34 C23 -170.5(5) . . . . ?
C46 C47 C48 C49 -175.3(6) . . . . ?
C3 C4 C5 F13 -156.8(7) . . . . ?
C3 C4 C5 F14 -37.3(9) . . . . ?
C3 C4 C5 F15 81.9(9) . . . . ?
C2 C3 C4 O6 -3.9(12) . . . . ?
C2 C3 C4 C5 177.7(7) . . . . ?
C36 C35 C38 N4 -91.0(6) . . . . ?
C36 C35 C38 C39 25.6(8) . . . . ?
C36 C35 C38 C40 157.0(5) . . . . ?
C37 C35 C38 N4 141.1(5) . . . . ?
C37 C35 C38 C39 -102.3(7) . . . . ?
C37 C35 C38 C40 29.1(7) . . . . ?
C50 C49 C48 C47 179.2(7) . . . . ?
C31 N3 C27 N2 5.1(9) . . . . ?
C31 N3 C27 C25 -176.2(7) . . . . ?
C6 C7 C8 C9 176.1(6) . . . . ?
C45 C44 C43 C42 -178.0(7) . . . . ?
C28 N2 C27 C25 -167.2(7) . . . . ?
C28 N2 C27 N3 11.5(9) . . . . ?
C4 C3 C2 O5 -1.5(12) . . . . ?
C4 C3 C2 C1 176.1(7) . . . . ?
C10 C9 C8 C7 -174.1(6) . . . . ?
C33 C31 C28 N2 -89.1(8) . . . . ?
C33 C31 C28 C29 28.0(11) . . . . ?
C33 C31 C28 C30 159.3(8) . . . . ?
C32 C31 C28 N2 142.6(8) . . . . ?
C32 C31 C28 C29 -100.2(10) . . . . ?
C32 C31 C28 C30 31.0(10) . . . . ?
C8 C9 C10 F8 -7.9(9) . . . . ?
C8 C9 C10 F7 110.7(8) . . . . ?
C8 C9 C10 F9 -129.0(8) . . . . ?

loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.490 0.490 240.0 36.1 ?
2 0.161 0.775 0.551 8.6 1.3 ?
3 0.839 0.225 0.449 8.6 1.3 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.270
_oxdiff_exptl_absorpt_empirical_full_min 0.547
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex3-dyzn
_database_code_depnum_ccdc_archive 'CCDC 2321633'
loop_
_audit_author_name
_audit_author_address
'Licun Li'
;Nankai University, Tianjin
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-05-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-25
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H72 Dy2 F60 N10 O30 Zn2'
_chemical_formula_sum            'C100 H72 Dy2 F60 N10 O30 Zn2'
_chemical_formula_weight         3489.41
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2934(2)
_cell_length_b                   15.4505(2)
_cell_length_c                   16.4647(3)
_cell_angle_alpha                113.099(2)
_cell_angle_beta                 90.6130(10)
_cell_angle_gamma                105.1620(10)
_cell_volume                     3201.73(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    23216
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      73.3180
_cell_measurement_theta_min      2.9410
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.050
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1714
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47869
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.492
_diffrn_reflns_theta_min         2.942
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     33.00 112.00   0.50    0.08    --   73.49   0.00-150.00  158
  2  ω     76.00 127.00   0.50    0.08    --   75.16  30.00 -90.00  102
  3  ω     89.00 115.00   0.50    0.08    --   73.49  30.00 -60.00   52
  4  ω     61.00  86.00   0.50    0.08    --   73.49 155.00  62.00   50
  5  ω     62.00  87.00   0.50    0.08    --   75.16 155.00  62.00   50
  6  ω     84.00 117.00   0.50    0.08    --   73.49 125.00 120.00   66
  7  ω     81.00 106.00   0.50    0.08    --   75.16 125.00  60.00   50
  8  ω     29.00 106.00   0.50    0.08    --   75.16-120.00-177.00  154
  9  ω     28.00  53.00   0.50    0.05    --   59.62-120.00-177.00   50
 10  ω     18.00  54.00   0.50    0.05    --   59.62 -95.00-180.00   72
 11  ω     79.00 124.00   0.50    0.08    --   73.49-155.00  24.00   90
 12  ω     56.00  81.00   0.50    0.08    --   75.16-155.00  24.00   50
 13  ω     52.00  77.00   0.50    0.05    --   59.62-155.00  24.00   50
 14  ω     18.00  43.00   0.50    0.05    --   59.62 -95.00  60.00   50
 15  ω     34.00  75.00   0.50    0.08    --   73.49 -95.00  30.00   82
 16  ω     31.00  86.00   0.50    0.08    --   73.49 -95.00  90.00  110
 17  ω     19.00  69.00   0.50    0.05    --   59.62 -95.00   0.00  100
 18  ω     36.00  80.00   0.50    0.08    --   73.49 -95.00 -90.00   88
 19  ω     34.00  61.00   0.50    0.08    --   75.16 -95.00-150.00   54
 20  ω     34.00  86.00   0.50    0.08    --   73.49 -95.00-180.00  104
 21  ω    -37.00  -9.00   0.50    0.05    --  -60.23  30.00  30.00   56
 22  ω    -38.00 -12.00   0.50    0.05    --  -60.23  30.00 -30.00   52
 23  ω    -37.00 -12.00   0.50    0.05    --  -60.23  30.00-120.00   50
 24  ω    -75.00 -50.00   0.50    0.05    --  -60.23 155.00  62.00   50
 25  ω   -106.00 -81.00   0.50    0.08    --  -74.38 155.00  62.00   50
 26  ω    -87.00 -62.00   0.50    0.08    --  -82.00 155.00  62.00   50
 27  ω   -111.00 -49.00   0.50    0.08    --  -82.00 125.00  60.00  124
 28  ω   -123.00 -50.00   0.50    0.08    --  -81.26 141.00 -13.87  146
 29  ω   -110.00 -39.00   0.50    0.08    --  -82.00 125.00 -60.00  142
 30  ω    -80.00 -55.00   0.50    0.05    --  -60.23 120.00 -94.00   50
 31  ω   -109.00 -81.00   0.50    0.08    --  -81.26 114.00-128.23   56
 32  ω   -109.00 -38.00   0.50    0.08    --  -81.26 114.00-165.41  142
 33  ω    -64.00 -39.00   0.50    0.08    --  -81.26 114.00-128.23   50
 34  ω    -84.00 -47.00   0.50    0.08    --  -82.00 120.00 -94.00   74
 35  ω   -112.00 -79.00   0.50    0.05    --  -60.23 -30.00-150.00   66
 36  ω   -131.00 -83.00   0.50    0.08    --  -82.00 -30.00-180.00   96
 37  ω   -129.00 -81.00   0.50    0.08    --  -82.00 -30.00-120.00   96
 38  ω   -126.00 -80.00   0.50    0.08    --  -82.00 -30.00 -60.00   92
 39  ω   -124.00 -68.00   0.50    0.08    --  -74.38 -15.00   0.00  112
 40  ω   -120.00 -72.00   0.50    0.08    --  -74.38 -30.00  60.00   96
 41  ω   -128.00 -84.00   0.50    0.08    --  -82.00-125.00  60.00   88
 42  ω    -96.00 -71.00   0.50    0.08    --  -82.00-155.00  24.00   50
 43  ω   -113.00 -88.00   0.50    0.08    --  -74.38-155.00  24.00   50
 44  ω   -129.00 -82.00   0.50    0.08    --  -82.00-125.00 -30.00   94
 45  ω   -123.00 -96.00   0.50    0.08    --  -82.00-125.00 -90.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0630519000
_diffrn_orient_matrix_UB_12      0.0384285000
_diffrn_orient_matrix_UB_13      0.0736425000
_diffrn_orient_matrix_UB_21      0.0782455000
_diffrn_orient_matrix_UB_22      0.0091768000
_diffrn_orient_matrix_UB_23      0.0703591000
_diffrn_orient_matrix_UB_31      0.0507793000
_diffrn_orient_matrix_UB_32      0.1061128000
_diffrn_orient_matrix_UB_33      0.0120494000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11043
_reflns_number_total             12551
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         4.048
_refine_diff_density_min         -1.774
_refine_diff_density_rms         0.153
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     927
_refine_ls_number_reflns         12551
_refine_ls_number_restraints     843
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0797
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1671P)²+5.7673P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2314
_refine_ls_wR_factor_ref         0.2384
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F29-C38
 1.5 with sigma of 0.02
3. Rigid bond restraints
 F20, C39
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F29, C38
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C1A \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32
\\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40
\\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48
\\sim C49: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.8A
Uanis(F29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C6(H6), C10(H10), C11(H11), C13(H13), C15(H15),
 C20(H20), C28(H28), C31(H31), C36(H36)
5.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C1A(H1AA,H1AB,H1AC), C42(H42A,H42B,H42C), C44(H44A,H44B,
 H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,
 H49B,H49C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.60302(3) -0.02840(2) 0.05520(2) 0.04012(15) Uani 1 1 d . . . . .
Zn1 Zn 0.82302(7) 0.63902(7) 0.30241(6) 0.0481(2) Uani 1 1 d . . . . .
O7 O 0.5216(3) 0.0889(3) 0.0663(3) 0.0354(8) Uani 1 1 d . . . . .
O5 O 0.5661(4) -0.1960(3) 0.0181(3) 0.0474(10) Uani 1 1 d . . . . .
O13 O 0.8299(4) 0.5276(4) 0.3309(3) 0.0486(11) Uani 1 1 d . . . . .
F1 F 0.9523(4) 0.4152(4) 0.3651(4) 0.0754(15) Uani 1 1 d . . . . .
F2 F 0.9843(4) 0.7728(4) 0.6393(3) 0.0760(15) Uani 1 1 d . . . . .
O12 O 0.8650(4) 0.7306(4) 0.4365(4) 0.0508(11) Uani 1 1 d . . . . .
N1 N 0.5721(4) 0.3475(3) 0.2858(3) 0.0319(9) Uani 1 1 d . . . . .
O14 O 0.6994(3) 0.6709(3) 0.2966(3) 0.0436(10) Uani 1 1 d . . . . .
O6 O 0.4647(4) -0.0731(3) 0.1223(3) 0.0501(11) Uani 1 1 d . . . . .
O2 O 0.6386(4) 0.0574(4) 0.2108(3) 0.0472(10) Uani 1 1 d . . . . .
F3 F 1.0056(5) 0.8661(4) 0.5695(4) 0.0825(16) Uani 1 1 d . . . . .
F4 F 0.6559(4) 0.2064(3) 0.3708(3) 0.0725(14) Uani 1 1 d . . . . .
O3 O 0.6883(4) -0.0642(4) -0.0676(4) 0.0533(12) Uani 1 1 d . . . . .
F5 F 0.7953(4) 0.3598(3) 0.3448(4) 0.0713(14) Uani 1 1 d . . . . .
O4 O 0.7310(3) 0.1121(4) 0.0793(4) 0.0523(12) Uani 1 1 d . . . . .
F6 F 0.8735(5) 0.4291(4) 0.4771(4) 0.0805(16) Uani 1 1 d . . . . .
O10 O 0.9393(4) 0.7168(5) 0.2731(5) 0.0737(17) Uani 1 1 d . . . . .
N5 N 0.6780(4) 0.7295(4) 0.3707(4) 0.0394(11) Uani 1 1 d . . . . .
O8 O 0.5690(4) 0.3599(4) 0.5882(4) 0.0538(12) Uani 1 1 d . . . . .
N2 N 0.6357(5) 0.4385(4) 0.6313(4) 0.0499(13) Uani 1 1 d . . . . .
F7 F 0.8684(5) 0.8308(5) 0.6178(4) 0.0867(17) Uani 1 1 d . . . . .
C1 C 0.6140(4) 0.4309(4) 0.4469(4) 0.0347(10) Uani 1 1 d . U . . .
H1 H 0.605384 0.368886 0.449307 0.042 Uiso 1 1 calc R U . . .
O15 O 0.5993(5) 0.7912(4) 0.5747(4) 0.0641(16) Uani 1 1 d . . . . .
O11 O 0.7848(5) 0.5426(5) 0.1708(4) 0.0674(15) Uani 1 1 d . . . . .
N4 N 0.6297(5) 0.7868(4) 0.5011(4) 0.0472(13) Uani 1 1 d . . . . .
F8 F 0.7885(5) 0.1936(5) 0.4124(4) 0.095(2) Uani 1 1 d . . . . .
C2 C 0.5967(4) 0.4368(4) 0.3668(4) 0.0329(10) Uani 1 1 d . U . . .
O1 O 0.7396(4) -0.0638(4) 0.1005(4) 0.0586(13) Uani 1 1 d . . . . .
C3 C 0.5065(4) 0.2656(4) 0.2843(4) 0.0342(10) Uani 1 1 d . U . . .
H3 H 0.472830 0.268780 0.334351 0.041 Uiso 1 1 calc R U . . .
C4 C 0.6050(4) 0.5253(4) 0.3613(4) 0.0332(10) Uani 1 1 d . U . . .
H4 H 0.591807 0.527653 0.305644 0.040 Uiso 1 1 calc R U . . .
C5 C 0.6446(5) 0.5177(4) 0.5245(4) 0.0381(11) Uani 1 1 d . U . . .
C6 C 0.6205(4) 0.3445(4) 0.2147(4) 0.0351(11) Uani 1 1 d . U . . .
H6 H 0.666675 0.402519 0.217131 0.042 Uiso 1 1 calc R U . . .
F9 F 0.5005(7) -0.4037(4) -0.0618(5) 0.111(3) Uani 1 1 d . . . . .
F10 F 0.9168(6) 0.2308(5) 0.1787(5) 0.111(2) Uani 1 1 d . . . . .
C7 C 0.6454(5) 0.7068(4) 0.4355(4) 0.0378(11) Uani 1 1 d . U . . .
C8 C 0.6716(5) 0.5134(5) 0.6088(4) 0.0466(13) Uani 1 1 d . U . . .
F11 F 0.3439(7) -0.1736(9) 0.2545(7) 0.140(4) Uani 1 1 d . . . . .
F12 F 0.6548(7) 0.0859(5) 0.4001(5) 0.110(3) Uani 1 1 d . . . . .
C9 C 0.5372(4) 0.1718(4) 0.1360(4) 0.0327(10) Uani 1 1 d . U . . .
C10 C 0.6039(4) 0.2591(4) 0.1395(4) 0.0356(11) Uani 1 1 d . U . . .
H10 H 0.637243 0.258640 0.089782 0.043 Uiso 1 1 calc R U . . .
C11 C 0.9012(5) 0.6134(5) 0.4826(5) 0.0445(12) Uani 1 1 d . U . . .
H11 H 0.926670 0.605038 0.531672 0.053 Uiso 1 1 calc R U . . .
F13 F 0.7348(5) -0.1465(8) -0.2279(4) 0.138(4) Uani 1 1 d . . . . .
C12 C 0.8661(5) 0.5322(5) 0.4024(4) 0.0419(12) Uani 1 1 d . U . . .
C13 C 0.4884(5) 0.1780(4) 0.2108(4) 0.0375(11) Uani 1 1 d . U . . .
H13 H 0.442430 0.121016 0.210611 0.045 Uiso 1 1 calc R U . . .
C14 C 0.6333(4) 0.6114(4) 0.4397(4) 0.0362(10) Uani 1 1 d . U . . .
F14 F 0.9297(5) -0.0678(8) 0.0920(6) 0.122(3) Uani 1 1 d . . . . .
C15 C 0.6536(5) 0.6078(4) 0.5207(4) 0.0368(11) Uani 1 1 d . U . . .
H15 H 0.673638 0.666759 0.573470 0.044 Uiso 1 1 calc R U . . .
F15 F 0.9501(5) -0.0260(7) 0.2328(5) 0.114(3) Uani 1 1 d . . . . .
F16 F 1.0752(5) 0.8472(6) 0.2412(8) 0.132(3) Uani 1 1 d . . . . .
C16 C 0.8999(5) 0.7078(5) 0.4927(5) 0.0436(12) Uani 1 1 d . U . . .
F17 F 0.3013(8) -0.0892(11) 0.2016(8) 0.184(6) Uani 1 1 d . . . . .
F18 F 0.6333(8) -0.3405(7) 0.0278(7) 0.133(3) Uani 1 1 d . . . . .
F19 F 0.9593(5) 0.2499(7) 0.0657(5) 0.127(3) Uani 1 1 d . . . . .
C17 C 0.9406(6) 0.7946(6) 0.5811(6) 0.0607(18) Uani 1 1 d . U . . .
F1A F 0.8452(6) 0.2992(5) 0.1243(8) 0.136(4) Uani 1 1 d . . . . .
C18 C 0.6815(5) 0.8327(5) 0.3836(5) 0.0461(13) Uani 1 1 d . U . . .
F20 F 0.8520(6) -0.1661(6) 0.1483(6) 0.113(2) Uani 1 1 d . U . . .
C19 C 0.9644(9) 0.6903(9) 0.1936(8) 0.080(2) Uani 1 1 d . U . . .
F21 F 0.8632(7) -0.1314(7) -0.1576(6) 0.136(3) Uani 1 1 d . . . . .
F22 F 0.5018(8) -0.3993(6) 0.0710(7) 0.137(4) Uani 1 1 d . . . . .
F23 F 0.7520(9) 0.3791(6) 0.0218(5) 0.136(4) Uani 1 1 d . . . . .
N3 N 0.7404(6) 0.5845(5) 0.6723(4) 0.070(2) Uani 1 1 d . . . . .
C20 C 0.4558(7) -0.2280(7) 0.1162(6) 0.0665(18) Uani 1 1 d . U . . .
H20 H 0.427489 -0.274486 0.139908 0.080 Uiso 1 1 calc R U . . .
C21 C 0.5203(7) -0.2485(6) 0.0552(6) 0.0630(17) Uani 1 1 d . U . . .
C22 C 0.7852(7) 0.8848(5) 0.3782(6) 0.0609(19) Uani 1 1 d . U . . .
H22A H 0.830286 0.879280 0.419921 0.091 Uiso 1 1 calc R U . . .
H22B H 0.791537 0.954292 0.393650 0.091 Uiso 1 1 calc R U . . .
H22C H 0.800848 0.854496 0.317504 0.091 Uiso 1 1 calc R U . . .
C23 C 0.6490(6) 0.8729(5) 0.4771(6) 0.0517(15) Uani 1 1 d . U . . .
C24 C 0.4315(7) -0.1414(7) 0.1436(6) 0.0616(17) Uani 1 1 d . U . . .
C25 C 0.8713(6) 0.4331(6) 0.3980(6) 0.0546(16) Uani 1 1 d . U . . .
C1A C 0.6175(8) 0.8228(7) 0.3051(7) 0.078(2) Uani 1 1 d . U . . .
H1AA H 0.649797 0.801953 0.251385 0.116 Uiso 1 1 calc R U . . .
H1AB H 0.606671 0.886360 0.316141 0.116 Uiso 1 1 calc R U . . .
H1AC H 0.554635 0.773797 0.296642 0.116 Uiso 1 1 calc R U . . .
C26 C 0.8337(9) 0.5478(9) 0.1104(7) 0.078(2) Uani 1 1 d . U . . .
C27 C 0.7017(7) 0.1424(6) 0.3619(6) 0.0588(17) Uani 1 1 d . U . . .
F24 F 0.7125(13) 0.4822(10) -0.0114(6) 0.215(8) Uani 1 1 d . . . . .
F25 F 0.8549(10) -0.0263(7) -0.2028(7) 0.172(5) Uani 1 1 d . . . . .
C28 C 0.9175(10) 0.6129(9) 0.1172(8) 0.085(2) Uani 1 1 d . U . . .
H28 H 0.947408 0.605023 0.064508 0.102 Uiso 1 1 calc R U . . .
C29 C 1.0638(10) 0.7541(10) 0.1915(9) 0.089(2) Uani 1 1 d . U . . .
C30 C 0.8844(6) 0.2269(7) 0.1049(7) 0.071(2) Uani 1 1 d . U . . .
C31 C 0.8370(6) 0.0655(7) -0.0291(7) 0.069(2) Uani 1 1 d . U . . .
H31 H 0.900288 0.084637 -0.045163 0.083 Uiso 1 1 calc R U . . .
C32 C 0.7716(6) -0.0258(7) -0.0823(6) 0.0653(19) Uani 1 1 d . U . . .
C33 C 0.8032(6) -0.0859(8) -0.1682(7) 0.073(2) Uani 1 1 d . U . . .
C34 C 0.8089(6) 0.1291(7) 0.0483(7) 0.0663(18) Uani 1 1 d . U . . .
C35 C 0.6925(7) 0.4548(7) 0.7171(6) 0.0705(19) Uani 1 1 d . U . . .
C36 C 0.7934(6) 0.0460(7) 0.2545(6) 0.0643(17) Uani 1 1 d . U . . .
H36 H 0.844621 0.071114 0.302124 0.077 Uiso 1 1 calc R U . . .
C37 C 0.7104(6) 0.0793(6) 0.2657(6) 0.0589(17) Uani 1 1 d . U . . .
C38 C 0.3607(9) -0.1257(8) 0.2100(8) 0.085(2) Uani 1 1 d D U . . .
C39 C 0.8851(7) -0.0714(9) 0.1625(8) 0.077(2) Uani 1 1 d . U . . .
C40 C 0.7876(11) 0.4647(10) 0.0178(8) 0.092(3) Uani 1 1 d . U . . .
C41 C 0.7490(9) 0.5618(8) 0.7516(6) 0.084(2) Uani 1 1 d . U . . .
F26 F 0.8428(12) 0.4582(10) -0.0422(7) 0.207(7) Uani 1 1 d . . . . .
C42 C 0.5528(9) 0.8975(8) 0.4749(9) 0.085(2) Uani 1 1 d . U . . .
H42A H 0.500861 0.837602 0.438719 0.127 Uiso 1 1 calc R U . . .
H42B H 0.559240 0.945646 0.448826 0.127 Uiso 1 1 calc R U . . .
H42C H 0.536262 0.925107 0.535601 0.127 Uiso 1 1 calc R U . . .
C43 C 0.5388(9) -0.3502(7) 0.0218(8) 0.076(2) Uani 1 1 d . U . . .
C44 C 0.7344(10) 0.9530(8) 0.5501(7) 0.096(3) Uani 1 1 d . U . . .
H44A H 0.718346 0.957856 0.609173 0.143 Uiso 1 1 calc R U . . .
H44B H 0.742947 1.016741 0.547205 0.143 Uiso 1 1 calc R U . . .
H44C H 0.795097 0.934401 0.539452 0.143 Uiso 1 1 calc R U . . .
C45 C 0.7992(7) -0.0257(7) 0.1707(7) 0.0667(18) Uani 1 1 d . U . . .
C46 C 0.6310(11) 0.4189(11) 0.7711(8) 0.110(4) Uani 1 1 d . U . . .
H46A H 0.576478 0.447765 0.781135 0.166 Uiso 1 1 calc R U . . .
H46B H 0.668582 0.436912 0.828338 0.166 Uiso 1 1 calc R U . . .
H46C H 0.605421 0.347144 0.740923 0.166 Uiso 1 1 calc R U . . .
C47 C 0.6772(11) 0.6248(11) 0.8150(8) 0.112(4) Uani 1 1 d . U . . .
H47A H 0.609492 0.595354 0.786078 0.168 Uiso 1 1 calc R U . . .
H47B H 0.699530 0.693382 0.822324 0.168 Uiso 1 1 calc R U . . .
H47C H 0.680837 0.622423 0.873531 0.168 Uiso 1 1 calc R U . . .
C48 C 0.7660(11) 0.3972(11) 0.6840(10) 0.113(4) Uani 1 1 d . U . . .
H48A H 0.731136 0.328522 0.645983 0.169 Uiso 1 1 calc R U . . .
H48B H 0.804689 0.400049 0.734941 0.169 Uiso 1 1 calc R U . . .
H48C H 0.809396 0.425775 0.649640 0.169 Uiso 1 1 calc R U . . .
C49 C 0.8392(11) 0.6065(11) 0.8040(10) 0.118(4) Uani 1 1 d . U . . .
H49A H 0.832633 0.604447 0.862463 0.177 Uiso 1 1 calc R U . . .
H49B H 0.862553 0.675021 0.811417 0.177 Uiso 1 1 calc R U . . .
H49C H 0.886079 0.571569 0.775167 0.177 Uiso 1 1 calc R U . . .
O9 O 0.7977(7) 0.6621(6) 0.6710(5) 0.103(3) Uani 1 1 d . . . . .
F27 F 1.1326(6) 0.7325(11) 0.2241(12) 0.212(8) Uani 1 1 d . . . . .
F28 F 1.0798(10) 0.7537(13) 0.1144(10) 0.217(7) Uani 1 1 d . . . . .
F29 F 0.4238(10) -0.0460(11) 0.2947(7) 0.199(6) Uani 1 1 d D U . A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Dy1 3.9033(7) 2_655 ?
Dy1 O7 2.349(4) . ?
Dy1 O7 2.373(4) 2_655 ?
Dy1 O5 2.323(5) . ?
Dy1 O6 2.353(5) . ?
Dy1 O2 2.352(5) . ?
Dy1 O3 2.326(5) . ?
Dy1 O4 2.335(5) . ?
Dy1 O1 2.349(5) . ?
Zn1 O13 1.979(5) . ?
Zn1 O12 2.076(5) . ?
Zn1 O14 1.965(5) . ?
Zn1 O10 1.966(6) . ?
Zn1 O11 2.057(6) . ?
O7 C9 1.304(7) . ?
O5 C21 1.256(9) . ?
O13 C12 1.249(8) . ?
F1 C25 1.332(10) . ?
F2 C17 1.330(10) . ?
O12 C16 1.253(9) . ?
N1 C2 1.449(7) . ?
N1 C3 1.354(7) . ?
N1 C6 1.357(8) . ?
O14 N5 1.300(7) . ?
O6 C24 1.223(10) . ?
O2 C37 1.244(10) . ?
F3 C17 1.323(10) . ?
F4 C27 1.286(9) . ?
O3 C32 1.257(10) . ?
F5 C25 1.337(9) . ?
O4 C34 1.238(10) . ?
F6 C25 1.329(10) . ?
O10 C19 1.296(13) . ?
N5 C7 1.302(8) . ?
N5 C18 1.512(8) . ?
O8 N2 1.261(8) . ?
N2 C8 1.330(9) . ?
N2 C35 1.520(10) . ?
F7 C17 1.340(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.381(8) . ?
C1 C5 1.399(8) . ?
O15 N4 1.274(8) . ?
O11 C26 1.236(12) . ?
N4 C7 1.360(8) . ?
N4 C23 1.492(8) . ?
F8 C27 1.343(10) . ?
C2 C4 1.380(8) . ?
O1 C45 1.262(11) . ?
C3 H3 0.9500 . ?
C3 C13 1.374(8) . ?
C4 H4 0.9500 . ?
C4 C14 1.400(8) . ?
C5 C8 1.469(9) . ?
C5 C15 1.390(8) . ?
C6 H6 0.9500 . ?
C6 C10 1.370(8) . ?
F9 C43 1.316(14) . ?
F10 C30 1.270(12) . ?
C7 C14 1.467(8) . ?
C8 N3 1.334(9) . ?
F11 C38 1.217(13) . ?
F12 C27 1.320(11) . ?
C9 C10 1.413(8) . ?
C9 C13 1.405(9) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.387(10) . ?
C11 C16 1.406(9) . ?
F13 C33 1.256(12) . ?
C12 C25 1.525(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(9) . ?
F14 C39 1.343(13) . ?
C15 H15 0.9500 . ?
F15 C39 1.301(13) . ?
F16 C29 1.310(16) . ?
C16 C17 1.515(11) . ?
F17 C38 1.168(14) . ?
F18 C43 1.318(14) . ?
F19 C30 1.297(12) . ?
F1A C30 1.310(13) . ?
C18 C22 1.512(11) . ?
C18 C23 1.545(10) . ?
C18 C1A 1.509(12) . ?
F20 C39 1.337(14) . ?
C19 C28 1.358(17) . ?
C19 C29 1.511(17) . ?
F21 C33 1.292(13) . ?
F22 C43 1.338(11) . ?
F23 C40 1.316(15) . ?
N3 C41 1.490(12) . ?
N3 O9 1.271(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.372(12) . ?
C20 C24 1.373(13) . ?
C21 C43 1.544(12) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C42 1.524(13) . ?
C23 C44 1.574(14) . ?
C24 C38 1.491(13) . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C26 C28 1.319(17) . ?
C26 C40 1.552(17) . ?
C27 C37 1.526(12) . ?
F24 C40 1.302(17) . ?
F25 C33 1.336(14) . ?
C28 H28 0.9500 . ?
C29 F27 1.290(15) . ?
C29 F28 1.291(16) . ?
C30 C34 1.529(13) . ?
C31 H31 0.9500 . ?
C31 C32 1.397(13) . ?
C31 C34 1.410(14) . ?
C32 C33 1.506(13) . ?
C35 C41 1.504(13) . ?
C35 C46 1.421(15) . ?
C35 C48 1.52(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.397(12) . ?
C36 C45 1.410(13) . ?
C38 F29 1.523(13) . ?
C39 C45 1.551(13) . ?
C40 F26 1.260(16) . ?
C41 C47 1.69(2) . ?
C41 C49 1.388(16) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?

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
O7 Dy1 Dy1 34.46(9) . 2_655 ?
O7 Dy1 Dy1 34.06(9) 2_655 2_655 ?
O7 Dy1 O7 68.52(15) . 2_655 ?
O7 Dy1 O6 76.82(16) . . ?
O7 Dy1 O2 84.21(15) . . ?
O5 Dy1 Dy1 110.34(12) . 2_655 ?
O5 Dy1 O7 138.96(16) . . ?
O5 Dy1 O7 79.92(16) . 2_655 ?
O5 Dy1 O6 72.19(17) . . ?
O5 Dy1 O2 109.25(17) . . ?
O5 Dy1 O3 83.81(18) . . ?
O5 Dy1 O4 143.41(18) . . ?
O5 Dy1 O1 70.46(19) . . ?
O6 Dy1 Dy1 75.80(14) . 2_655 ?
O6 Dy1 O7 79.76(17) . 2_655 ?
O2 Dy1 Dy1 115.34(11) . 2_655 ?
O2 Dy1 O7 143.49(15) . 2_655 ?
O2 Dy1 O6 70.43(17) . . ?
O3 Dy1 Dy1 95.31(14) . 2_655 ?
O3 Dy1 O7 112.44(18) . . ?
O3 Dy1 O7 76.96(16) . 2_655 ?
O3 Dy1 O6 149.04(17) . . ?
O3 Dy1 O2 137.89(17) . . ?
O3 Dy1 O4 72.38(18) . . ?
O3 Dy1 O1 75.2(2) . . ?
O4 Dy1 Dy1 99.40(13) . 2_655 ?
O4 Dy1 O7 76.99(16) . . ?
O4 Dy1 O7 119.45(17) . 2_655 ?
O4 Dy1 O6 137.85(17) . . ?
O4 Dy1 O2 74.57(18) . . ?
O4 Dy1 O1 76.7(2) . . ?
O1 Dy1 Dy1 170.47(14) . 2_655 ?
O1 Dy1 O7 141.05(16) . 2_655 ?
O1 Dy1 O7 148.53(17) . . ?
O1 Dy1 O6 113.0(2) . . ?
O1 Dy1 O2 72.34(18) . . ?
O13 Zn1 O12 88.4(2) . . ?
O13 Zn1 O11 88.6(2) . . ?
O14 Zn1 O13 121.3(2) . . ?
O14 Zn1 O12 94.6(2) . . ?
O14 Zn1 O10 118.2(2) . . ?
O14 Zn1 O11 88.0(2) . . ?
O10 Zn1 O13 120.4(3) . . ?
O10 Zn1 O12 89.7(3) . . ?
O10 Zn1 O11 90.8(3) . . ?
O11 Zn1 O12 176.7(2) . . ?
Dy1 O7 Dy1 111.48(15) . 2_655 ?
C9 O7 Dy1 122.9(3) . . ?
C9 O7 Dy1 125.3(3) . 2_655 ?
C21 O5 Dy1 131.7(5) . . ?
C12 O13 Zn1 127.1(4) . . ?
C16 O12 Zn1 124.9(5) . . ?
C3 N1 C2 119.4(5) . . ?
C3 N1 C6 120.6(5) . . ?
C6 N1 C2 119.7(5) . . ?
N5 O14 Zn1 116.7(4) . . ?
C24 O6 Dy1 133.7(5) . . ?
C37 O2 Dy1 134.3(5) . . ?
C32 O3 Dy1 134.4(6) . . ?
C34 O4 Dy1 135.1(6) . . ?
C19 O10 Zn1 122.5(7) . . ?
O14 N5 C7 126.6(5) . . ?
O14 N5 C18 119.4(5) . . ?
C7 N5 C18 113.9(5) . . ?
O8 N2 C8 128.1(6) . . ?
O8 N2 C35 121.4(6) . . ?
C8 N2 C35 110.4(6) . . ?
C2 C1 H1 120.5 . . ?
C2 C1 C5 119.0(5) . . ?
C5 C1 H1 120.5 . . ?
C26 O11 Zn1 124.3(8) . . ?
O15 N4 C7 126.4(5) . . ?
O15 N4 C23 121.3(5) . . ?
C7 N4 C23 112.3(5) . . ?
C1 C2 N1 118.9(5) . . ?
C4 C2 N1 119.0(5) . . ?
C4 C2 C1 122.1(5) . . ?
C45 O1 Dy1 134.3(6) . . ?
N1 C3 H3 119.8 . . ?
N1 C3 C13 120.4(5) . . ?
C13 C3 H3 119.8 . . ?
C2 C4 H4 120.8 . . ?
C2 C4 C14 118.3(5) . . ?
C14 C4 H4 120.8 . . ?
C1 C5 C8 119.6(5) . . ?
C15 C5 C1 120.1(6) . . ?
C15 C5 C8 120.3(6) . . ?
N1 C6 H6 119.5 . . ?
N1 C6 C10 121.1(5) . . ?
C10 C6 H6 119.5 . . ?
N5 C7 N4 109.6(5) . . ?
N5 C7 C14 125.3(5) . . ?
N4 C7 C14 125.0(6) . . ?
N2 C8 C5 126.0(6) . . ?
N2 C8 N3 110.7(6) . . ?
N3 C8 C5 123.3(6) . . ?
O7 C9 C10 121.5(5) . . ?
O7 C9 C13 121.3(5) . . ?
C13 C9 C10 117.2(5) . . ?
C6 C10 C9 120.0(5) . . ?
C6 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 H11 119.3 . . ?
C12 C11 C16 121.4(6) . . ?
C16 C11 H11 119.3 . . ?
O13 C12 C11 129.1(6) . . ?
O13 C12 C25 113.4(6) . . ?
C11 C12 C25 117.4(6) . . ?
C3 C13 C9 120.7(5) . . ?
C3 C13 H13 119.6 . . ?
C9 C13 H13 119.6 . . ?
C4 C14 C7 119.6(5) . . ?
C15 C14 C4 120.7(5) . . ?
C15 C14 C7 119.6(5) . . ?
C5 C15 H15 120.1 . . ?
C14 C15 C5 119.7(6) . . ?
C14 C15 H15 120.1 . . ?
O12 C16 C11 127.3(6) . . ?
O12 C16 C17 113.1(6) . . ?
C11 C16 C17 119.6(7) . . ?
F2 C17 F7 108.3(8) . . ?
F2 C17 C16 113.7(7) . . ?
F3 C17 F2 107.2(7) . . ?
F3 C17 F7 107.1(7) . . ?
F3 C17 C16 110.7(7) . . ?
F7 C17 C16 109.6(7) . . ?
N5 C18 C22 107.7(6) . . ?
N5 C18 C23 101.4(5) . . ?
C22 C18 C23 114.2(6) . . ?
C1A C18 N5 106.5(6) . . ?
C1A C18 C22 107.6(7) . . ?
C1A C18 C23 118.6(8) . . ?
O10 C19 C28 129.3(11) . . ?
O10 C19 C29 112.0(11) . . ?
C28 C19 C29 118.6(11) . . ?
C8 N3 C41 111.3(6) . . ?
O9 N3 C8 128.9(7) . . ?
O9 N3 C41 119.8(7) . . ?
C21 C20 H20 119.5 . . ?
C21 C20 C24 121.1(7) . . ?
C24 C20 H20 119.5 . . ?
O5 C21 C20 128.6(8) . . ?
O5 C21 C43 112.7(8) . . ?
C20 C21 C43 118.6(8) . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C18 102.7(5) . . ?
N4 C23 C42 107.0(7) . . ?
N4 C23 C44 103.9(7) . . ?
C18 C23 C44 113.0(7) . . ?
C42 C23 C18 112.1(8) . . ?
C42 C23 C44 116.6(8) . . ?
O6 C24 C20 127.1(8) . . ?
O6 C24 C38 115.5(8) . . ?
C20 C24 C38 117.3(8) . . ?
F1 C25 F5 107.5(7) . . ?
F1 C25 C12 109.7(7) . . ?
F5 C25 C12 111.4(6) . . ?
F6 C25 F1 107.1(7) . . ?
F6 C25 F5 107.7(7) . . ?
F6 C25 C12 113.1(6) . . ?
C18 C1A H1AA 109.5 . . ?
C18 C1A H1AB 109.5 . . ?
C18 C1A H1AC 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
O11 C26 C28 127.8(12) . . ?
O11 C26 C40 113.1(11) . . ?
C28 C26 C40 119.1(10) . . ?
F4 C27 F8 105.4(7) . . ?
F4 C27 F12 107.0(8) . . ?
F4 C27 C37 114.7(7) . . ?
F8 C27 C37 113.4(8) . . ?
F12 C27 F8 106.0(8) . . ?
F12 C27 C37 109.8(7) . . ?
C19 C28 H28 117.4 . . ?
C26 C28 C19 125.1(11) . . ?
C26 C28 H28 117.4 . . ?
F16 C29 C19 111.8(10) . . ?
F27 C29 F16 105.1(14) . . ?
F27 C29 C19 111.1(10) . . ?
F27 C29 F28 110.5(14) . . ?
F28 C29 F16 102.9(12) . . ?
F28 C29 C19 114.7(12) . . ?
F10 C30 F19 107.4(9) . . ?
F10 C30 F1A 106.2(10) . . ?
F10 C30 C34 113.1(9) . . ?
F19 C30 F1A 105.0(10) . . ?
F19 C30 C34 114.3(9) . . ?
F1A C30 C34 110.2(8) . . ?
C32 C31 H31 120.0 . . ?
C32 C31 C34 120.0(8) . . ?
C34 C31 H31 120.0 . . ?
O3 C32 C31 127.7(9) . . ?
O3 C32 C33 115.3(8) . . ?
C31 C32 C33 117.0(8) . . ?
F13 C33 F21 108.6(10) . . ?
F13 C33 F25 105.9(11) . . ?
F13 C33 C32 115.2(8) . . ?
F21 C33 F25 103.4(10) . . ?
F21 C33 C32 113.3(10) . . ?
F25 C33 C32 109.5(9) . . ?
O4 C34 C30 115.3(8) . . ?
O4 C34 C31 127.0(8) . . ?
C31 C34 C30 117.5(8) . . ?
N2 C35 C48 102.9(9) . . ?
C41 C35 N2 102.1(7) . . ?
C41 C35 C48 106.5(10) . . ?
C46 C35 N2 111.8(8) . . ?
C46 C35 C41 120.4(10) . . ?
C46 C35 C48 111.5(11) . . ?
C37 C36 H36 120.8 . . ?
C37 C36 C45 118.4(8) . . ?
C45 C36 H36 120.8 . . ?
O2 C37 C27 115.3(7) . . ?
O2 C37 C36 129.6(8) . . ?
C36 C37 C27 114.7(8) . . ?
F11 C38 C24 121.3(11) . . ?
F11 C38 F29 84.0(11) . . ?
F17 C38 F11 116.7(10) . . ?
F17 C38 C24 118.4(10) . . ?
F17 C38 F29 101.4(13) . . ?
C24 C38 F29 103.3(9) . . ?
F14 C39 C45 109.6(9) . . ?
F15 C39 F14 108.2(9) . . ?
F15 C39 F20 108.6(10) . . ?
F15 C39 C45 112.7(9) . . ?
F20 C39 F14 107.0(10) . . ?
F20 C39 C45 110.5(8) . . ?
F23 C40 C26 112.1(9) . . ?
F24 C40 F23 104.7(14) . . ?
F24 C40 C26 109.6(11) . . ?
F26 C40 F23 110.8(13) . . ?
F26 C40 C26 114.5(13) . . ?
F26 C40 F24 104.3(13) . . ?
N3 C41 C35 102.9(7) . . ?
N3 C41 C47 99.8(10) . . ?
C35 C41 C47 106.4(9) . . ?
C49 C41 N3 115.3(10) . . ?
C49 C41 C35 126.5(12) . . ?
C49 C41 C47 102.6(11) . . ?
C23 C42 H42A 109.5 . . ?
C23 C42 H42B 109.5 . . ?
C23 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
F9 C43 F18 108.6(10) . . ?
F9 C43 F22 109.0(10) . . ?
F9 C43 C21 110.6(8) . . ?
F18 C43 F22 106.1(9) . . ?
F18 C43 C21 110.5(9) . . ?
F22 C43 C21 112.0(9) . . ?
C23 C44 H44A 109.5 . . ?
C23 C44 H44B 109.5 . . ?
C23 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O1 C45 C36 128.6(8) . . ?
O1 C45 C39 113.4(8) . . ?
C36 C45 C39 117.8(9) . . ?
C35 C46 H46A 109.5 . . ?
C35 C46 H46B 109.5 . . ?
C35 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C41 C47 H47A 109.5 . . ?
C41 C47 H47B 109.5 . . ?
C41 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C35 C48 H48A 109.5 . . ?
C35 C48 H48B 109.5 . . ?
C35 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C41 C49 H49A 109.5 . . ?
C41 C49 H49B 109.5 . . ?
C41 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?

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 C9 C10 -92.5(6) 2_655 . . . ?
Dy1 O7 C9 C10 95.4(6) . . . . ?
Dy1 O7 C9 C13 87.6(6) 2_655 . . . ?
Dy1 O7 C9 C13 -84.5(6) . . . . ?
Dy1 O5 C21 C20 19.1(15) . . . . ?
Dy1 O5 C21 C43 -163.8(6) . . . . ?
Dy1 O6 C24 C20 -15.7(15) . . . . ?
Dy1 O6 C24 C38 161.1(7) . . . . ?
Dy1 O2 C37 C27 176.6(5) . . . . ?
Dy1 O2 C37 C36 -11.1(14) . . . . ?
Dy1 O3 C32 C31 -11.6(16) . . . . ?
Dy1 O3 C32 C33 169.0(6) . . . . ?
Dy1 O4 C34 C30 -161.1(6) . . . . ?
Dy1 O4 C34 C31 14.0(15) . . . . ?
Dy1 O1 C45 C36 11.3(16) . . . . ?
Dy1 O1 C45 C39 -173.5(6) . . . . ?
Zn1 O13 C12 C11 7.4(11) . . . . ?
Zn1 O13 C12 C25 -172.4(5) . . . . ?
Zn1 O12 C16 C11 -13.0(10) . . . . ?
Zn1 O12 C16 C17 169.5(5) . . . . ?
Zn1 O14 N5 C7 -76.2(7) . . . . ?
Zn1 O14 N5 C18 109.7(6) . . . . ?
Zn1 O10 C19 C28 4.2(16) . . . . ?
Zn1 O10 C19 C29 -171.5(7) . . . . ?
Zn1 O11 C26 C28 0.7(16) . . . . ?
Zn1 O11 C26 C40 179.5(7) . . . . ?
O7 C9 C10 C6 -178.3(6) . . . . ?
O7 C9 C13 C3 179.2(6) . . . . ?
O5 C21 C43 F9 -67.7(12) . . . . ?
O5 C21 C43 F18 52.5(12) . . . . ?
O5 C21 C43 F22 170.5(10) . . . . ?
O13 C12 C25 F1 84.6(8) . . . . ?
O13 C12 C25 F5 -34.4(9) . . . . ?
O13 C12 C25 F6 -155.9(7) . . . . ?
O12 C16 C17 F2 -175.4(7) . . . . ?
O12 C16 C17 F3 -54.7(9) . . . . ?
O12 C16 C17 F7 63.2(9) . . . . ?
N1 C2 C4 C14 -177.0(5) . . . . ?
N1 C3 C13 C9 -0.2(9) . . . . ?
N1 C6 C10 C9 -1.5(9) . . . . ?
O14 N5 C7 N4 -178.8(6) . . . . ?
O14 N5 C7 C14 4.7(11) . . . . ?
O14 N5 C18 C22 -61.2(8) . . . . ?
O14 N5 C18 C23 178.6(6) . . . . ?
O14 N5 C18 C1A 53.9(9) . . . . ?
O6 C24 C38 F11 -159.2(11) . . . . ?
O6 C24 C38 F17 42.9(17) . . . . ?
O6 C24 C38 F29 -68.1(13) . . . . ?
F4 C27 C37 O2 -35.9(11) . . . . ?
F4 C27 C37 C36 150.7(8) . . . . ?
O3 C32 C33 F13 24.5(15) . . . . ?
O3 C32 C33 F21 -101.4(11) . . . . ?
O3 C32 C33 F25 143.7(11) . . . . ?
O10 C19 C28 C26 0(2) . . . . ?
O10 C19 C29 F16 -42.1(14) . . . . ?
O10 C19 C29 F27 75.0(16) . . . . ?
O10 C19 C29 F28 -158.8(13) . . . . ?
N5 C7 C14 C4 -34.8(10) . . . . ?
N5 C7 C14 C15 142.8(7) . . . . ?
N5 C18 C23 N4 -1.6(7) . . . . ?
N5 C18 C23 C42 -116.2(7) . . . . ?
N5 C18 C23 C44 109.6(8) . . . . ?
O8 N2 C8 C5 -4.1(13) . . . . ?
O8 N2 C8 N3 178.7(8) . . . . ?
O8 N2 C35 C41 -170.3(8) . . . . ?
O8 N2 C35 C46 -40.3(14) . . . . ?
O8 N2 C35 C48 79.4(10) . . . . ?
N2 C8 N3 C41 -5.1(12) . . . . ?
N2 C8 N3 O9 172.1(11) . . . . ?
N2 C35 C41 N3 -15.4(11) . . . . ?
N2 C35 C41 C47 89.0(10) . . . . ?
N2 C35 C41 C49 -151.0(13) . . . . ?
C1 C2 C4 C14 0.9(9) . . . . ?
C1 C5 C8 N2 -29.4(11) . . . . ?
C1 C5 C8 N3 147.4(8) . . . . ?
C1 C5 C15 C14 -0.7(9) . . . . ?
O15 N4 C7 N5 -178.9(7) . . . . ?
O15 N4 C7 C14 -2.4(12) . . . . ?
O15 N4 C23 C18 -178.8(7) . . . . ?
O15 N4 C23 C42 -60.6(10) . . . . ?
O15 N4 C23 C44 63.3(10) . . . . ?
O11 C26 C28 C19 -3(2) . . . . ?
O11 C26 C40 F23 -41.5(15) . . . . ?
O11 C26 C40 F24 74.4(15) . . . . ?
O11 C26 C40 F26 -168.8(13) . . . . ?
N4 C7 C14 C4 149.2(6) . . . . ?
N4 C7 C14 C15 -33.2(10) . . . . ?
F8 C27 C37 O2 -157.0(7) . . . . ?
F8 C27 C37 C36 29.6(10) . . . . ?
C2 N1 C3 C13 -174.4(6) . . . . ?
C2 N1 C6 C10 175.2(5) . . . . ?
C2 C1 C5 C8 -174.7(6) . . . . ?
C2 C1 C5 C15 2.3(9) . . . . ?
C2 C4 C14 C7 178.3(5) . . . . ?
C2 C4 C14 C15 0.8(9) . . . . ?
C3 N1 C2 C1 44.4(8) . . . . ?
C3 N1 C2 C4 -137.6(6) . . . . ?
C3 N1 C6 C10 0.5(9) . . . . ?
C4 C14 C15 C5 -0.8(9) . . . . ?
C5 C1 C2 N1 175.5(5) . . . . ?
C5 C1 C2 C4 -2.4(9) . . . . ?
C5 C8 N3 C41 177.7(9) . . . . ?
C5 C8 N3 O9 -5.2(17) . . . . ?
C6 N1 C2 C1 -130.4(6) . . . . ?
C6 N1 C2 C4 47.6(8) . . . . ?
C6 N1 C3 C13 0.4(9) . . . . ?
F10 C30 C34 O4 66.2(12) . . . . ?
F10 C30 C34 C31 -109.4(11) . . . . ?
C7 N5 C18 C22 123.9(7) . . . . ?
C7 N5 C18 C23 3.7(8) . . . . ?
C7 N5 C18 C1A -121.0(8) . . . . ?
C7 N4 C23 C18 -0.6(8) . . . . ?
C7 N4 C23 C42 117.6(8) . . . . ?
C7 N4 C23 C44 -118.6(8) . . . . ?
C7 C14 C15 C5 -178.4(6) . . . . ?
C8 N2 C35 C41 13.9(11) . . . . ?
C8 N2 C35 C46 143.9(11) . . . . ?
C8 N2 C35 C48 -96.4(9) . . . . ?
C8 C5 C15 C14 176.2(6) . . . . ?
C8 N3 C41 C35 13.6(13) . . . . ?
C8 N3 C41 C47 -95.9(9) . . . . ?
C8 N3 C41 C49 155.1(13) . . . . ?
F12 C27 C37 O2 84.7(9) . . . . ?
F12 C27 C37 C36 -88.8(10) . . . . ?
C10 C9 C13 C3 -0.8(9) . . . . ?
C11 C12 C25 F1 -95.2(8) . . . . ?
C11 C12 C25 F5 145.8(7) . . . . ?
C11 C12 C25 F6 24.2(10) . . . . ?
C11 C16 C17 F2 6.9(11) . . . . ?
C11 C16 C17 F3 127.6(8) . . . . ?
C11 C16 C17 F7 -114.5(8) . . . . ?
C12 C11 C16 O12 3.7(12) . . . . ?
C12 C11 C16 C17 -179.0(7) . . . . ?
C13 C9 C10 C6 1.6(9) . . . . ?
F14 C39 C45 O1 54.2(13) . . . . ?
F14 C39 C45 C36 -130.1(10) . . . . ?
C15 C5 C8 N2 153.6(7) . . . . ?
C15 C5 C8 N3 -29.6(11) . . . . ?
F15 C39 C45 O1 174.7(9) . . . . ?
F15 C39 C45 C36 -9.5(14) . . . . ?
C16 C11 C12 O13 -0.2(12) . . . . ?
C16 C11 C12 C25 179.6(7) . . . . ?
F19 C30 C34 O4 -170.5(10) . . . . ?
F19 C30 C34 C31 13.9(15) . . . . ?
F1A C30 C34 O4 -52.5(13) . . . . ?
F1A C30 C34 C31 131.8(11) . . . . ?
C18 N5 C7 N4 -4.3(8) . . . . ?
C18 N5 C7 C14 179.2(6) . . . . ?
F20 C39 C45 O1 -63.5(12) . . . . ?
F20 C39 C45 C36 112.2(11) . . . . ?
C20 C21 C43 F9 109.7(11) . . . . ?
C20 C21 C43 F18 -130.0(10) . . . . ?
C20 C21 C43 F22 -12.0(15) . . . . ?
C20 C24 C38 F11 18.0(17) . . . . ?
C20 C24 C38 F17 -139.9(13) . . . . ?
C20 C24 C38 F29 109.0(12) . . . . ?
C21 C20 C24 O6 -3.3(17) . . . . ?
C21 C20 C24 C38 179.9(10) . . . . ?
C22 C18 C23 N4 -117.1(7) . . . . ?
C22 C18 C23 C42 128.4(8) . . . . ?
C22 C18 C23 C44 -5.9(10) . . . . ?
C23 N4 C7 N5 3.0(8) . . . . ?
C23 N4 C7 C14 179.6(6) . . . . ?
C24 C20 C21 O5 1.5(17) . . . . ?
C24 C20 C21 C43 -175.5(10) . . . . ?
C1A C18 C23 N4 114.4(7) . . . . ?
C1A C18 C23 C42 -0.1(9) . . . . ?
C1A C18 C23 C44 -134.3(9) . . . . ?
C28 C19 C29 F16 141.6(12) . . . . ?
C28 C19 C29 F27 -101.3(15) . . . . ?
C28 C19 C29 F28 25.0(18) . . . . ?
C28 C26 C40 F23 137.5(12) . . . . ?
C28 C26 C40 F24 -106.7(15) . . . . ?
C28 C26 C40 F26 10.2(19) . . . . ?
C29 C19 C28 C26 175.6(11) . . . . ?
C31 C32 C33 F13 -154.9(11) . . . . ?
C31 C32 C33 F21 79.1(13) . . . . ?
C31 C32 C33 F25 -35.7(14) . . . . ?
C32 C31 C34 O4 3.6(17) . . . . ?
C32 C31 C34 C30 178.6(9) . . . . ?
C34 C31 C32 O3 -4.7(17) . . . . ?
C34 C31 C32 C33 174.6(9) . . . . ?
C35 N2 C8 C5 171.2(8) . . . . ?
C35 N2 C8 N3 -5.9(10) . . . . ?
C37 C36 C45 O1 2.5(15) . . . . ?
C37 C36 C45 C39 -172.5(9) . . . . ?
C40 C26 C28 C19 178.4(11) . . . . ?
C45 C36 C37 O2 -2.7(15) . . . . ?
C45 C36 C37 C27 169.6(8) . . . . ?
C46 C35 C41 N3 -139.9(11) . . . . ?
C46 C35 C41 C47 -35.4(14) . . . . ?
C46 C35 C41 C49 84.5(18) . . . . ?
C48 C35 C41 N3 92.1(11) . . . . ?
C48 C35 C41 C47 -163.4(10) . . . . ?
C48 C35 C41 C49 -43.5(16) . . . . ?
O9 N3 C41 C35 -163.8(11) . . . . ?
O9 N3 C41 C47 86.7(12) . . . . ?
O9 N3 C41 C49 -22.3(18) . . . . ?

_platon_squeeze_details          
;
TITL exp_312_autored_a.res in P-1
CELL   14.2934   15.4505   16.4647    113.10     90.61    105.16
SPGR P-1
# Solvent Accessible Volume =       144
# Electrons Found in S.A.V. =         0
# Note: Atoms in Void as Cxxx and Qxxx all others
Q101 0.811 0.684 0.341 !       5.61 eA-3
Q102 0.546 0.954 0.049 !       4.68 eA-3
Q103 0.816 0.627 0.299 !       2.69 eA-3
Q104 0.299 0.907 0.221 !       1.86 eA-3
Q105 0.519 0.098 0.059 !       1.78 eA-3
Q106 0.608 0.995 0.110 !       1.59 eA-3
Q107 0.641 0.055 0.218 !       1.57 eA-3
Q108 0.265 0.822 0.142 !       1.52 eA-3
Q109 0.643 0.699 0.439 !       1.51 eA-3
Q110 0.560 0.794 0.022 !       1.49 eA-3
Q111 0.574 0.347 0.284 !       1.46 eA-3
Q112 0.395 0.041 0.002 !       1.44 eA-3
Q113 0.277 0.765 0.176 !       1.44 eA-3
Q114 0.596 0.515 0.364 !       1.43 eA-3
Q115 0.593 0.441 0.360 !       1.43 eA-3
Q116 0.838 0.531 0.328 !       1.43 eA-3
Q117 0.465 0.918 0.128 !       1.40 eA-3
Q118 0.438 0.860 0.139 !       1.37 eA-3
Q119 0.406 0.060 0.481 !       1.36 eA-3
Q120 0.636 0.608 0.443 !       1.35 eA-3
Q121 0.611 0.013 0.050 !       1.33 eA-3
Q122 0.369 0.983 0.245 !       1.33 eA-3
Q123 0.863 0.727 0.424 !       1.33 eA-3
Q124 0.014 0.216 0.364 !       1.30 eA-3
Q125 0.651 0.198 0.375 !       1.28 eA-3
Q126 0.700 0.062 0.365 !       1.28 eA-3
Q127 0.358 0.492 0.465 !       1.27 eA-3
Q128 0.609 0.435 0.447 !       1.27 eA-3
Q129 0.678 0.732 0.374 !       1.26 eA-3
Q130 0.797 0.361 0.346 !       1.25 eA-3
Q131 0.131 0.479 0.282 !       1.25 eA-3
Q132 0.485 0.182 0.217 !       1.24 eA-3
Q133 0.541 0.179 0.129 !       1.24 eA-3
Q134 0.754 0.594 0.197 !       1.24 eA-3
Q135 0.133 0.811 0.281 !       1.23 eA-3
Q136 0.940 0.841 0.097 !       1.21 eA-3
Q137 0.988 0.141 0.434 !       1.21 eA-3
Q138 0.878 0.432 0.480 !       1.20 eA-3
Q139 0.731 0.111 0.077 !       1.20 eA-3
Q140 0.329 0.486 0.391 !       1.20 eA-3
Q141 0.940 0.698 0.273 !       1.19 eA-3
Q142 0.298 0.627 0.272 !       1.18 eA-3
Q143 0.953 0.411 0.363 !       1.17 eA-3
Q144 0.510 0.263 0.280 !       1.16 eA-3
Q145 0.627 0.357 0.213 !       1.13 eA-3
Q146 0.316 0.053 0.080 !       1.11 eA-3
Q147 0.687 0.830 0.372 !       1.11 eA-3
Q148 0.397 0.512 0.217 !       1.10 eA-3
Q149 0.656 0.100 0.402 !       1.05 eA-3
Q150 0.360 0.210 0.488 !       1.05 eA-3
Q151 0.125 0.157 0.378 !       1.04 eA-3
Q152 0.127 0.723 0.199 !       1.04 eA-3
Q153 0.343 0.398 0.468 !       1.04 eA-3
Q154 0.394 0.206 0.429 !       1.03 eA-3
Q155 0.695 0.032 0.049 !       1.03 eA-3
Q156 0.902 0.620 0.487 !       1.03 eA-3
Q157 0.232 0.367 0.176 !       1.01 eA-3
Q158 0.078 0.823 0.187 !       1.00 eA-3
Q159 0.518 0.753 0.045 !       0.99 eA-3
Q160 0.797 0.890 0.370 !       0.99 eA-3
Q161 0.706 0.144 0.357 !       0.98 eA-3
Q162 0.786 0.524 0.176 !       0.98 eA-3
Q163 0.869 0.547 0.408 !       0.97 eA-3
Q164 0.278 0.139 0.232 !       0.97 eA-3
Q165 0.453 0.770 0.110 !       0.96 eA-3
Q166 0.343 0.822 0.266 !       0.96 eA-3
Q167 0.767 0.159 0.343 !       0.96 eA-3
Q168 0.315 0.036 0.458 !       0.95 eA-3
Q169 0.090 0.844 0.248 !       0.95 eA-3
Q170 0.469 0.258 0.466 !       0.95 eA-3
Q171 0.502 0.407 0.062 !       0.94 eA-3
Q172 0.128 0.128 0.150 !       0.92 eA-3
Q173 0.162 0.980 0.142 !       0.92 eA-3
Q174 0.740 0.934 0.110 !       0.92 eA-3
Q175 0.234 0.088 0.081 !       0.90 eA-3
Q176 0.357 0.558 0.374 !       0.89 eA-3
Q177 0.752 0.374 0.014 !       0.89 eA-3
Q178 0.831 0.544 0.107 !       0.89 eA-3
Q179 0.274 0.426 0.236 !       0.89 eA-3
Q180 0.935 0.939 0.092 !       0.89 eA-3
Q181 0.850 0.849 0.156 !       0.89 eA-3
Q182 0.919 0.233 0.187 !       0.89 eA-3
Q183 0.848 0.436 0.013 !       0.89 eA-3
Q184 0.323 0.110 0.501 !       0.89 eA-3
Q185 0.440 0.374 0.027 !       0.89 eA-3
Q186 0.388 0.869 0.276 !       0.88 eA-3
Q187 0.216 0.468 0.273 !       0.86 eA-3
Q188 0.579 0.748 0.461 !       0.86 eA-3
Q189 0.263 0.403 0.331 !       0.85 eA-3
Q190 0.691 0.675 0.292 !       0.85 eA-3
Q191 0.692 0.483-0.007 !       0.85 eA-3
Q192 0.597 0.262 0.137 !       0.84 eA-3
Q193 0.840 0.308 0.134 !       0.84 eA-3
Q194 0.055 0.907 0.294 !       0.83 eA-3
Q195 0.745 0.435 0.019 !       0.83 eA-3
Q196 0.068 0.770 0.104 !       0.81 eA-3
Q197 0.122 0.725 0.140 !       0.77 eA-3
Q198 0.530 0.622 0.099 !       0.76 eA-3
Q199 0.969 0.252 0.064 !       0.76 eA-3
;
_platon_squeeze_special_details  ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 100 -7 ' '
2 -0.009 0.472 0.155 22 -2 ' '
3 0.009 0.527 0.845 22 -2 ' '

_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.292
_oxdiff_exptl_absorpt_empirical_full_min 0.336
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex2-dyzn
_database_code_depnum_ccdc_archive 'CCDC 2321632'
loop_
_audit_author_name
_audit_author_address
'LiCun Li'
;Nankai University, Tianjin
China
;
_audit_update_record             
;
2023-12-25 deposited with the CCDC.	2024-05-21 downloaded from the CCDC.
;
_audit_creation_date             2023-12-25
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C100 H72 Dy2 F60 N10 O26 Zn2'
_chemical_formula_sum            'C100 H72 Dy2 F60 N10 O26 Zn2'
_chemical_formula_weight         3425.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.3636(2)
_cell_length_b                   15.4369(3)
_cell_length_c                   16.5246(3)
_cell_angle_alpha                65.836(2)
_cell_angle_beta                 88.6970(10)
_cell_angle_gamma                75.4840(10)
_cell_volume                     3222.97(11)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    21621
_cell_measurement_temperature    113.15
_cell_measurement_theta_max      29.1790
_cell_measurement_theta_min      1.9290
_shelx_estimated_absorpt_T_max   0.851
_shelx_estimated_absorpt_T_min   0.634
_exptl_absorpt_coefficient_mu    1.671
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.16520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1682
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0879
_diffrn_reflns_av_unetI/netI     0.1095
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.892
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            84732
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.896
_diffrn_reflns_theta_min         1.801
_diffrn_ambient_temperature      113.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50    2.00    --  -20.00   0.00   0.00  360
  2  ω   -110.00  55.00   0.50    2.00    --  -20.00   0.00  90.00  330
  3  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00   0.00  234
  4  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00 180.00  234
  5  ω   -110.00   7.00   0.50    2.00    --  -20.00 -70.00  90.00  234
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0474226000
_diffrn_orient_matrix_UB_12      -0.0316593000
_diffrn_orient_matrix_UB_13      0.0090500000
_diffrn_orient_matrix_UB_21      0.0135553000
_diffrn_orient_matrix_UB_22      0.0240231000
_diffrn_orient_matrix_UB_23      0.0245577000
_diffrn_orient_matrix_UB_31      -0.0138143000
_diffrn_orient_matrix_UB_32      -0.0338783000
_diffrn_orient_matrix_UB_33      0.0393267000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15261
_reflns_number_total             25122
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.566
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     909
_refine_ls_number_reflns         25122
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1409
_refine_ls_R_factor_gt           0.0837
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0884P)²+5.3996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.2093
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 F4, C11
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.005
3.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C19(H19), C18(H18), C17(H17), C13(H13), C26(H26), C24(H24),
 C20(H20), C43(H43), C48(H48), C3(H3), C8(H8)
3.b Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,
 H40C), C29(H29A,H29B,H29C), C33(H33A,H33B,H33C), C32(H32A,H32B,H32C), C30(H30A,
 H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.39771(2) 0.96720(2) 0.45159(2) 0.03134(8) Uani 1 1 d . . . . .
Zn1 Zn 0.81711(4) 0.33457(4) 0.82623(4) 0.03399(13) Uani 1 1 d . . . . .
O7 O 0.5192(2) 0.9097(2) 0.5692(2) 0.0298(7) Uani 1 1 d . . . . .
O12 O 0.8952(3) 0.2507(3) 0.9497(3) 0.0485(10) Uani 1 1 d . . . . .
O4 O 0.4288(2) 0.7982(3) 0.4827(2) 0.0365(8) Uani 1 1 d . . . . .
F30 F 0.7959(3) 0.6327(3) 0.8329(3) 0.0612(10) Uani 1 1 d . . . . .
O3 O 0.5448(3) 0.9200(3) 0.3881(3) 0.0408(8) Uani 1 1 d . . . . .
O11 O 0.8271(3) 0.4560(3) 0.8390(2) 0.0389(8) Uani 1 1 d . . . . .
O2 O 0.3725(3) 1.0464(3) 0.2960(2) 0.0416(9) Uani 1 1 d . . . . .
O10 O 0.9279(3) 0.2804(3) 0.7721(3) 0.0506(10) Uani 1 1 d . . . . .
O6 O 0.3111(2) 0.9316(3) 0.5788(2) 0.0394(8) Uani 1 1 d . . . . .
O9 O 0.7503(3) 0.4270(3) 0.7013(2) 0.0408(8) Uani 1 1 d . . . . .
F28 F 0.9494(3) 0.5855(3) 0.8581(3) 0.0679(11) Uani 1 1 d . . . . .
O5 O 0.2725(2) 1.1108(3) 0.4244(2) 0.0372(8) Uani 1 1 d . . . . .
N1 N 0.5732(3) 0.6482(3) 0.7914(3) 0.0295(8) Uani 1 1 d . . . . .
O1 O 0.2566(3) 0.9355(3) 0.4090(2) 0.0408(8) Uani 1 1 d . . . . .
N5 N 0.7109(3) 0.2667(3) 0.8821(3) 0.0316(8) Uani 1 1 d . . . . .
F29 F 0.8621(4) 0.5752(3) 0.9645(3) 0.0773(13) Uani 1 1 d . . . . .
F13 F 0.2657(3) 0.8518(4) 0.7428(3) 0.0896(17) Uani 1 1 d . . . . .
F17 F 0.4694(4) 0.6154(3) 0.4042(4) 0.0851(14) Uani 1 1 d . . . . .
F2 F 0.3331(4) 1.2120(3) 0.1336(3) 0.0764(13) Uani 1 1 d . . . . .
O8 O 0.5679(3) 0.6344(3) 1.0917(3) 0.0545(11) Uani 1 1 d . . . . .
C22 C 0.6102(3) 0.4688(3) 0.8687(3) 0.0315(10) Uani 1 1 d . . . . .
H22 H 0.597967 0.465937 0.813752 0.038 Uiso 1 1 calc R U . . .
O13 O 0.5789(3) 0.2073(3) 1.0634(3) 0.0536(11) Uani 1 1 d . . . . .
N4 N 0.6284(3) 0.2080(3) 0.9993(3) 0.0435(11) Uani 1 1 d . . . . .
N2 N 0.6369(4) 0.5575(4) 1.1339(3) 0.0451(11) Uani 1 1 d . . . . .
F16 F 0.4464(4) 0.5987(3) 0.5360(3) 0.0892(16) Uani 1 1 d . . . . .
C21 C 0.5978(3) 0.5583(3) 0.8725(3) 0.0302(9) Uani 1 1 d . . . . .
F18 F 0.3341(4) 0.6884(4) 0.4341(4) 0.0987(18) Uani 1 1 d . . . . .
F11 F 0.0936(4) 1.2198(3) 0.3268(3) 0.0880(15) Uani 1 1 d . . . . .
C25 C 0.6452(4) 0.4782(4) 1.0281(3) 0.0327(10) Uani 1 1 d . . . . .
F10 F 0.1582(3) 1.2983(3) 0.3756(4) 0.0939(16) Uani 1 1 d . . . . .
C19 C 0.6186(3) 0.6538(3) 0.7170(3) 0.0317(10) Uani 1 1 d . . . . .
H19 H 0.664193 0.597055 0.717515 0.038 Uiso 1 1 calc R U . . .
C18 C 0.5082(3) 0.7300(4) 0.7906(3) 0.0344(10) Uani 1 1 d . . . . .
H18 H 0.475485 0.725664 0.842163 0.041 Uiso 1 1 calc R U . . .
C17 C 0.4888(3) 0.8183(3) 0.7170(3) 0.0319(10) Uani 1 1 d . . . . .
H17 H 0.444131 0.874391 0.718615 0.038 Uiso 1 1 calc R U . . .
C13 C 0.5339(4) 0.7761(4) 0.3755(4) 0.0461(13) Uani 1 1 d . . . . .
H13 H 0.555944 0.736229 0.344246 0.055 Uiso 1 1 calc R U . . .
C26 C 0.6142(4) 0.5647(3) 0.9512(3) 0.0326(10) Uani 1 1 d . . . . .
H26 H 0.604574 0.626992 0.953070 0.039 Uiso 1 1 calc R U . . .
C23 C 0.6407(4) 0.3827(4) 0.9456(3) 0.0335(10) Uani 1 1 d . . . . .
C44 C 0.9444(4) 0.3176(5) 0.6923(4) 0.0516(15) Uani 1 1 d . . . . .
F12 F 0.0428(3) 1.2413(4) 0.4388(3) 0.0999(18) Uani 1 1 d . . . . .
C24 C 0.6583(4) 0.3866(4) 1.0262(3) 0.0342(10) Uani 1 1 d . . . . .
H24 H 0.678799 0.327787 1.079095 0.041 Uiso 1 1 calc R U . . .
F14 F 0.1473(3) 0.9762(4) 0.7179(3) 0.0853(14) Uani 1 1 d . . . . .
C47 C 0.8680(4) 0.4604(4) 0.9020(3) 0.0382(11) Uani 1 1 d . . . . .
F15 F 0.1357(4) 0.8663(4) 0.6763(3) 0.0845(14) Uani 1 1 d . . . . .
F26 F 1.0148(6) 0.2344(4) 1.1339(4) 0.163(4) Uani 1 1 d . . . . .
C35 C 0.7037(4) 0.1676(4) 0.8888(4) 0.0406(12) Uani 1 1 d . . . . .
F8 F 0.0588(3) 0.9699(4) 0.2776(3) 0.0929(15) Uani 1 1 d . . . . .
F6 F 0.6582(5) 0.8315(5) 0.2447(4) 0.137(3) Uani 1 1 d . . . . .
C34 C 0.6606(4) 0.2871(4) 0.9397(3) 0.0350(10) Uani 1 1 d . . . . .
F22 F 1.0676(4) 0.1757(5) 0.7162(6) 0.143(3) Uani 1 1 d . . . . .
F21 F 0.7475(5) 0.6108(4) 0.5397(4) 0.108(2) Uani 1 1 d . . . . .
C49 C 0.9244(4) 0.2845(5) 0.9975(4) 0.0474(13) Uani 1 1 d . . . . .
F25 F 1.0401(5) 0.1358(4) 1.0752(4) 0.136(3) Uani 1 1 d . . . . .
C12 C 0.5702(4) 0.8577(4) 0.3586(4) 0.0408(12) Uani 1 1 d . . . . .
C16 C 0.5344(3) 0.8260(4) 0.6398(3) 0.0308(9) Uani 1 1 d . . . . .
C1 C 0.1208(4) 1.2217(5) 0.3996(5) 0.0524(15) Uani 1 1 d . . . . .
C14 C 0.4662(4) 0.7522(4) 0.4370(4) 0.0418(12) Uani 1 1 d . . . . .
C20 C 0.5997(3) 0.7397(3) 0.6414(3) 0.0318(10) Uani 1 1 d . . . . .
H20 H 0.630756 0.741462 0.589556 0.038 Uiso 1 1 calc R U . . .
N3 N 0.7367(4) 0.4095(4) 1.1690(3) 0.0608(16) Uani 1 1 d . . . . .
F7 F 0.1385(4) 0.8341(4) 0.3702(5) 0.122(2) Uani 1 1 d . . . . .
F1 F 0.4078(4) 1.0814(4) 0.1255(3) 0.1008(17) Uani 1 1 d . . . . .
F3 F 0.2597(4) 1.1359(5) 0.0872(3) 0.116(2) Uani 1 1 d . . . . .
F27 F 0.9153(6) 0.1565(6) 1.1331(4) 0.158(3) Uani 1 1 d . . . . .
C27 C 0.6736(4) 0.4800(4) 1.1110(3) 0.0410(12) Uani 1 1 d . . . . .
C43 C 0.8853(5) 0.3923(5) 0.6226(4) 0.0549(16) Uani 1 1 d . . . . .
H43 H 0.907881 0.411627 0.565024 0.066 Uiso 1 1 calc R U . . .
C42 C 0.7942(5) 0.4415(5) 0.6314(4) 0.0462(13) Uani 1 1 d . . . . .
C48 C 0.9139(4) 0.3831(5) 0.9808(4) 0.0488(14) Uani 1 1 d . . . . .
H48 H 0.939101 0.397714 1.025014 0.059 Uiso 1 1 calc R U . . .
F9 F 0.0646(4) 0.9448(6) 0.4111(4) 0.126(3) Uani 1 1 d . . . . .
F24 F 1.1087(4) 0.3015(6) 0.7026(5) 0.133(3) Uani 1 1 d . . . . .
C38 C 0.6734(5) 0.1168(4) 0.9856(4) 0.0521(15) Uani 1 1 d . . . . .
C46 C 0.8690(5) 0.5641(5) 0.8897(4) 0.0486(14) Uani 1 1 d . . . . .
F5 F 0.6620(5) 0.9582(4) 0.2622(4) 0.126(3) Uani 1 1 d . . . . .
C3 C 0.1688(4) 1.0654(5) 0.5391(4) 0.0574(17) Uani 1 1 d . . . . .
H3 H 0.107463 1.087079 0.557372 0.069 Uiso 1 1 calc R U . . .
C2 C 0.1957(4) 1.1253(4) 0.4582(4) 0.0459(13) Uani 1 1 d . . . . .
C36 C 0.6286(5) 0.1898(5) 0.8165(5) 0.0610(18) Uani 1 1 d . . . . .
H36A H 0.626162 0.128425 0.813221 0.092 Uiso 1 1 calc R U . . .
H36B H 0.645125 0.234360 0.759383 0.092 Uiso 1 1 calc R U . . .
H36C H 0.565448 0.221086 0.829615 0.092 Uiso 1 1 calc R U . . .
C37 C 0.8004(5) 0.1110(4) 0.8751(5) 0.0524(15) Uani 1 1 d . . . . .
H37A H 0.850047 0.105144 0.918182 0.079 Uiso 1 1 calc R U . . .
H37B H 0.816846 0.146064 0.814519 0.079 Uiso 1 1 calc R U . . .
H37C H 0.797115 0.045212 0.883747 0.079 Uiso 1 1 calc R U . . .
C39 C 0.5990(6) 0.0584(6) 0.9958(6) 0.077(2) Uani 1 1 d . . . . .
H39A H 0.628426 -0.001130 0.986661 0.116 Uiso 1 1 calc R U . . .
H39B H 0.543724 0.099000 0.951434 0.116 Uiso 1 1 calc R U . . .
H39C H 0.577032 0.039741 1.055679 0.116 Uiso 1 1 calc R U . . .
C41 C 0.7372(6) 0.5286(6) 0.5477(4) 0.065(2) Uani 1 1 d . . . . .
F23 F 1.0572(5) 0.2919(8) 0.5931(5) 0.176(4) Uani 1 1 d . . . . .
C50 C 0.9772(6) 0.2042(6) 1.0852(5) 0.067(2) Uani 1 1 d . . . . .
C31 C 0.7438(6) 0.4325(6) 1.2485(5) 0.082(3) Uani 1 1 d . . . . .
C11 C 0.6536(6) 0.8693(5) 0.3003(5) 0.0646(19) Uani 1 1 d . U . . .
F4 F 0.7361(4) 0.8295(7) 0.3512(5) 0.155(3) Uani 1 1 d . U . . .
C15 C 0.4296(5) 0.6620(5) 0.4538(5) 0.0589(17) Uani 1 1 d . . . . .
C9 C 0.2049(4) 0.9685(5) 0.3409(4) 0.0478(13) Uani 1 1 d . . . . .
C6 C 0.3240(5) 1.1264(5) 0.1463(4) 0.0575(17) Uani 1 1 d . . . . .
C45 C 1.0466(5) 0.2695(7) 0.6765(6) 0.076(2) Uani 1 1 d . . . . .
C28 C 0.6968(5) 0.5448(6) 1.2113(5) 0.073(2) Uani 1 1 d . . . . .
F19 F 0.7533(7) 0.5189(5) 0.4780(3) 0.185(4) Uani 1 1 d . . . . .
C40 C 0.7607(5) 0.0581(5) 1.0562(4) 0.0589(17) Uani 1 1 d . . . . .
H40A H 0.738267 0.040989 1.115919 0.088 Uiso 1 1 calc R U . . .
H40B H 0.806066 0.098395 1.048037 0.088 Uiso 1 1 calc R U . . .
H40C H 0.793003 -0.002206 1.049576 0.088 Uiso 1 1 calc R U . . .
C4 C 0.2303(4) 0.9733(5) 0.5944(4) 0.0489(14) Uani 1 1 d . . . . .
C7 C 0.3054(4) 1.0641(5) 0.2399(4) 0.0492(14) Uani 1 1 d . . . . .
C29 C 0.6336(7) 0.5799(7) 1.2722(5) 0.100(4) Uani 1 1 d . . . . .
H29A H 0.610819 0.651927 1.244181 0.149 Uiso 1 1 calc R U . . .
H29B H 0.671038 0.558806 1.328990 0.149 Uiso 1 1 calc R U . . .
H29C H 0.578114 0.551770 1.282860 0.149 Uiso 1 1 calc R U . . .
C10 C 0.1140(4) 0.9287(6) 0.3502(6) 0.0621(18) Uani 1 1 d . . . . .
F20 F 0.6430(5) 0.5424(6) 0.5537(5) 0.175(4) Uani 1 1 d . . . . .
C33 C 0.6823(8) 0.3676(7) 1.3160(5) 0.117(4) Uani 1 1 d . . . . .
H33A H 0.690639 0.368379 1.374316 0.175 Uiso 1 1 calc R U . . .
H33B H 0.704264 0.299709 1.321693 0.175 Uiso 1 1 calc R U . . .
H33C H 0.613883 0.394504 1.293591 0.175 Uiso 1 1 calc R U . . .
C32 C 0.8482(8) 0.3987(10) 1.2852(7) 0.146(6) Uani 1 1 d . . . . .
H32A H 0.883023 0.445018 1.246528 0.219 Uiso 1 1 calc R U . . .
H32B H 0.877425 0.333060 1.287470 0.219 Uiso 1 1 calc R U . . .
H32C H 0.851851 0.396113 1.345282 0.219 Uiso 1 1 calc R U . . .
C30 C 0.7654(7) 0.6093(9) 1.1727(7) 0.108(4) Uani 1 1 d . . . . .
H30A H 0.810263 0.582345 1.138045 0.162 Uiso 1 1 calc R U . . .
H30B H 0.801885 0.610867 1.221265 0.162 Uiso 1 1 calc R U . . .
H30C H 0.728250 0.676253 1.133953 0.162 Uiso 1 1 calc R U . . .
C5 C 0.1949(4) 0.9158(6) 0.6833(4) 0.0608(19) Uani 1 1 d . . . . .
C8 C 0.2223(4) 1.0328(5) 0.2549(4) 0.0519(15) Uani 1 1 d . . . . .
H8 H 0.175289 1.054660 0.206272 0.062 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Dy1 3.9054(5) 2_676 ?
Dy1 O7 2.362(3) . ?
Dy1 O7 2.396(3) 2_676 ?
Dy1 O4 2.366(4) . ?
Dy1 O3 2.418(3) . ?
Dy1 O2 2.342(4) . ?
Dy1 O6 2.355(3) . ?
Dy1 O5 2.361(3) . ?
Dy1 O1 2.384(4) . ?
Zn1 O12 2.076(4) . ?
Zn1 O11 2.009(4) . ?
Zn1 O10 1.977(4) . ?
Zn1 O9 2.052(4) . ?
Zn1 N5 2.055(4) . ?
O7 C16 1.309(6) . ?
O12 C49 1.239(7) . ?
O4 C14 1.262(6) . ?
F30 C46 1.335(7) . ?
O3 C12 1.222(6) . ?
O11 C47 1.241(6) . ?
O2 C7 1.250(7) . ?
O10 C44 1.249(7) . ?
O6 C4 1.254(6) . ?
O9 C42 1.267(7) . ?
F28 C46 1.318(7) . ?
O5 C2 1.237(6) . ?
N1 C21 1.449(6) . ?
N1 C19 1.360(6) . ?
N1 C18 1.364(6) . ?
O1 C9 1.206(7) . ?
N5 C35 1.517(6) . ?
N5 C34 1.275(6) . ?
F29 C46 1.312(7) . ?
F13 C5 1.312(7) . ?
F17 C15 1.331(7) . ?
F2 C6 1.291(8) . ?
O8 N2 1.282(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.375(6) . ?
C22 C23 1.387(7) . ?
O13 N4 1.260(6) . ?
N4 C34 1.399(7) . ?
N4 C38 1.499(7) . ?
N2 C27 1.378(6) . ?
N2 C28 1.474(8) . ?
F16 C15 1.292(9) . ?
C21 C26 1.374(6) . ?
F18 C15 1.336(8) . ?
F11 C1 1.287(8) . ?
C25 C26 1.391(7) . ?
C25 C24 1.393(7) . ?
C25 C27 1.450(7) . ?
F10 C1 1.331(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.368(7) . ?
C18 H18 0.9500 . ?
C18 C17 1.372(7) . ?
C17 H17 0.9500 . ?
C17 C16 1.395(7) . ?
C13 H13 0.9500 . ?
C13 C12 1.404(8) . ?
C13 C14 1.394(8) . ?
C26 H26 0.9500 . ?
C23 C24 1.389(7) . ?
C23 C34 1.474(6) . ?
C44 C43 1.358(10) . ?
C44 C45 1.538(9) . ?
F12 C1 1.312(7) . ?
C24 H24 0.9500 . ?
F14 C5 1.328(8) . ?
C47 C48 1.388(8) . ?
C47 C46 1.533(8) . ?
F15 C5 1.313(9) . ?
F26 C50 1.268(8) . ?
C35 C38 1.574(8) . ?
C35 C36 1.499(8) . ?
C35 C37 1.511(8) . ?
F8 C10 1.279(9) . ?
F6 C11 1.267(9) . ?
F22 C45 1.277(11) . ?
F21 C41 1.268(9) . ?
C49 C48 1.400(9) . ?
C49 C50 1.524(9) . ?
F25 C50 1.271(10) . ?
C12 C11 1.519(8) . ?
C16 C20 1.415(6) . ?
C1 C2 1.541(8) . ?
C14 C15 1.528(9) . ?
C20 H20 0.9500 . ?
N3 C27 1.271(7) . ?
N3 C31 1.505(8) . ?
F7 C10 1.311(9) . ?
F1 C6 1.345(9) . ?
F3 C6 1.298(8) . ?
F27 C50 1.334(10) . ?
C43 H43 0.9500 . ?
C43 C42 1.376(9) . ?
C42 C41 1.540(9) . ?
C48 H48 0.9500 . ?
F9 C10 1.289(9) . ?
F24 C45 1.280(9) . ?
C38 C39 1.528(9) . ?
C38 C40 1.544(10) . ?
F5 C11 1.291(9) . ?
C3 H3 0.9500 . ?
C3 C2 1.391(9) . ?
C3 C4 1.407(9) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 F19 1.230(8) . ?
C41 F20 1.323(10) . ?
F23 C45 1.292(11) . ?
C31 C28 1.549(11) . ?
C31 C33 1.585(14) . ?
C31 C32 1.509(12) . ?
C11 F4 1.322(10) . ?
C9 C10 1.557(9) . ?
C9 C8 1.422(9) . ?
C6 C7 1.510(9) . ?
C28 C29 1.513(10) . ?
C28 C30 1.520(13) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C4 C5 1.526(8) . ?
C7 C8 1.378(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C8 H8 0.9500 . ?

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
O7 Dy1 Dy1 35.10(8) . 2_676 ?
O7 Dy1 Dy1 34.54(7) 2_676 2_676 ?
O7 Dy1 O7 69.64(12) . 2_676 ?
O7 Dy1 O4 83.50(12) . . ?
O7 Dy1 O3 74.73(12) 2_676 . ?
O7 Dy1 O3 76.26(12) . . ?
O7 Dy1 O1 142.78(12) . . ?
O4 Dy1 Dy1 114.01(9) . 2_676 ?
O4 Dy1 O7 140.81(11) . 2_676 ?
O4 Dy1 O3 71.42(12) . . ?
O4 Dy1 O1 70.34(13) . . ?
O3 Dy1 Dy1 72.23(10) . 2_676 ?
O2 Dy1 Dy1 113.03(9) . 2_676 ?
O2 Dy1 O7 82.50(12) . 2_676 ?
O2 Dy1 O7 141.20(12) . . ?
O2 Dy1 O4 103.89(13) . . ?
O2 Dy1 O3 70.57(13) . . ?
O2 Dy1 O6 140.76(13) . . ?
O2 Dy1 O5 76.22(13) . . ?
O2 Dy1 O1 72.77(13) . . ?
O6 Dy1 Dy1 96.02(9) . 2_676 ?
O6 Dy1 O7 76.84(12) . . ?
O6 Dy1 O7 113.28(12) . 2_676 ?
O6 Dy1 O4 86.33(12) . . ?
O6 Dy1 O3 146.67(13) . . ?
O6 Dy1 O5 73.63(12) . . ?
O6 Dy1 O1 75.53(13) . . ?
O5 Dy1 Dy1 98.82(9) . 2_676 ?
O5 Dy1 O7 76.00(11) . 2_676 ?
O5 Dy1 O7 119.92(12) . . ?
O5 Dy1 O4 143.19(12) . . ?
O5 Dy1 O3 137.92(12) . . ?
O5 Dy1 O1 74.85(13) . . ?
O1 Dy1 Dy1 170.50(9) . 2_676 ?
O1 Dy1 O7 145.37(12) . 2_676 ?
O1 Dy1 O3 117.24(13) . . ?
O11 Zn1 O12 88.49(15) . . ?
O11 Zn1 O9 86.82(15) . . ?
O11 Zn1 N5 121.03(15) . . ?
O10 Zn1 O12 88.35(18) . . ?
O10 Zn1 O11 113.16(17) . . ?
O10 Zn1 O9 89.62(17) . . ?
O10 Zn1 N5 125.23(17) . . ?
O9 Zn1 O12 173.69(17) . . ?
O9 Zn1 N5 100.31(16) . . ?
N5 Zn1 O12 85.73(17) . . ?
Dy1 O7 Dy1 110.36(12) . 2_676 ?
C16 O7 Dy1 125.3(3) . . ?
C16 O7 Dy1 124.1(3) . 2_676 ?
C49 O12 Zn1 124.9(4) . . ?
C14 O4 Dy1 130.2(3) . . ?
C12 O3 Dy1 130.9(4) . . ?
C47 O11 Zn1 127.6(4) . . ?
C7 O2 Dy1 134.6(4) . . ?
C44 O10 Zn1 125.9(4) . . ?
C4 O6 Dy1 133.2(4) . . ?
C42 O9 Zn1 122.6(4) . . ?
C2 O5 Dy1 132.4(4) . . ?
C19 N1 C21 120.5(4) . . ?
C19 N1 C18 119.3(4) . . ?
C18 N1 C21 120.1(4) . . ?
C9 O1 Dy1 134.7(4) . . ?
C35 N5 Zn1 126.2(3) . . ?
C34 N5 Zn1 121.9(3) . . ?
C34 N5 C35 108.6(4) . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.7(4) . . ?
C23 C22 H22 120.2 . . ?
O13 N4 C34 126.3(4) . . ?
O13 N4 C38 122.9(5) . . ?
C34 N4 C38 110.2(4) . . ?
O8 N2 C27 127.1(4) . . ?
O8 N2 C28 123.3(5) . . ?
C27 N2 C28 109.2(5) . . ?
C22 C21 N1 120.0(4) . . ?
C22 C21 C26 121.4(5) . . ?
C26 C21 N1 118.4(4) . . ?
C26 C25 C24 121.0(4) . . ?
C26 C25 C27 121.1(4) . . ?
C24 C25 C27 117.6(5) . . ?
N1 C19 H19 119.4 . . ?
N1 C19 C20 121.1(4) . . ?
C20 C19 H19 119.4 . . ?
N1 C18 H18 119.2 . . ?
N1 C18 C17 121.6(4) . . ?
C17 C18 H18 119.2 . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.3(4) . . ?
C16 C17 H17 119.8 . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C14 C13 C12 121.7(5) . . ?
C21 C26 C25 118.7(4) . . ?
C21 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C22 C23 C34 119.2(4) . . ?
C24 C23 C22 120.3(4) . . ?
C24 C23 C34 120.4(5) . . ?
O10 C44 C43 128.3(5) . . ?
O10 C44 C45 112.3(7) . . ?
C43 C44 C45 119.5(6) . . ?
C25 C24 H24 120.6 . . ?
C23 C24 C25 118.8(5) . . ?
C23 C24 H24 120.6 . . ?
O11 C47 C48 127.9(5) . . ?
O11 C47 C46 115.4(5) . . ?
C48 C47 C46 116.6(5) . . ?
N5 C35 C38 103.7(4) . . ?
N5 C35 C37 109.4(5) . . ?
C36 C35 N5 105.9(4) . . ?
C36 C35 C38 113.9(6) . . ?
C36 C35 C37 110.9(5) . . ?
C37 C35 C38 112.4(5) . . ?
N5 C34 N4 113.0(4) . . ?
N5 C34 C23 124.1(5) . . ?
N4 C34 C23 122.9(4) . . ?
O12 C49 C48 128.6(5) . . ?
O12 C49 C50 112.5(6) . . ?
C48 C49 C50 118.9(6) . . ?
O3 C12 C13 127.4(5) . . ?
O3 C12 C11 115.0(6) . . ?
C13 C12 C11 117.5(5) . . ?
O7 C16 C17 121.8(4) . . ?
O7 C16 C20 121.0(4) . . ?
C17 C16 C20 117.2(4) . . ?
F11 C1 F10 106.2(6) . . ?
F11 C1 F12 107.4(6) . . ?
F11 C1 C2 111.3(5) . . ?
F10 C1 C2 111.0(5) . . ?
F12 C1 F10 107.0(6) . . ?
F12 C1 C2 113.7(6) . . ?
O4 C14 C13 126.9(5) . . ?
O4 C14 C15 113.4(5) . . ?
C13 C14 C15 119.7(5) . . ?
C19 C20 C16 120.5(4) . . ?
C19 C20 H20 119.8 . . ?
C16 C20 H20 119.8 . . ?
C27 N3 C31 108.3(5) . . ?
N2 C27 C25 124.0(5) . . ?
N3 C27 N2 113.6(5) . . ?
N3 C27 C25 122.3(5) . . ?
C44 C43 H43 118.4 . . ?
C44 C43 C42 123.2(5) . . ?
C42 C43 H43 118.4 . . ?
O9 C42 C43 128.5(6) . . ?
O9 C42 C41 113.8(6) . . ?
C43 C42 C41 117.6(6) . . ?
C47 C48 C49 122.3(5) . . ?
C47 C48 H48 118.8 . . ?
C49 C48 H48 118.8 . . ?
N4 C38 C35 98.2(4) . . ?
N4 C38 C39 109.6(5) . . ?
N4 C38 C40 106.4(5) . . ?
C39 C38 C35 116.3(6) . . ?
C39 C38 C40 112.0(6) . . ?
C40 C38 C35 113.0(5) . . ?
F30 C46 C47 111.6(5) . . ?
F28 C46 F30 107.1(5) . . ?
F28 C46 C47 111.5(5) . . ?
F29 C46 F30 106.7(5) . . ?
F29 C46 F28 106.7(5) . . ?
F29 C46 C47 112.8(5) . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.5(5) . . ?
C4 C3 H3 119.3 . . ?
O5 C2 C1 113.8(5) . . ?
O5 C2 C3 128.6(5) . . ?
C3 C2 C1 117.6(5) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
F21 C41 C42 113.0(5) . . ?
F21 C41 F20 101.0(8) . . ?
F19 C41 F21 109.9(8) . . ?
F19 C41 C42 114.2(7) . . ?
F19 C41 F20 106.7(8) . . ?
F20 C41 C42 111.1(6) . . ?
F26 C50 C49 115.1(6) . . ?
F26 C50 F25 109.6(8) . . ?
F26 C50 F27 106.8(8) . . ?
F25 C50 C49 113.0(7) . . ?
F25 C50 F27 102.2(7) . . ?
F27 C50 C49 109.1(6) . . ?
N3 C31 C28 103.5(5) . . ?
N3 C31 C33 102.5(8) . . ?
N3 C31 C32 108.9(6) . . ?
C28 C31 C33 114.1(7) . . ?
C32 C31 C28 115.8(9) . . ?
C32 C31 C33 110.8(8) . . ?
F6 C11 C12 115.4(7) . . ?
F6 C11 F5 110.7(7) . . ?
F6 C11 F4 107.8(7) . . ?
F5 C11 C12 114.3(5) . . ?
F5 C11 F4 97.5(8) . . ?
F4 C11 C12 109.4(6) . . ?
F17 C15 F18 107.2(6) . . ?
F17 C15 C14 112.2(6) . . ?
F16 C15 F17 107.3(6) . . ?
F16 C15 F18 106.9(6) . . ?
F16 C15 C14 112.5(6) . . ?
F18 C15 C14 110.5(5) . . ?
O1 C9 C10 114.5(6) . . ?
O1 C9 C8 127.0(6) . . ?
C8 C9 C10 118.4(6) . . ?
F2 C6 F1 104.8(6) . . ?
F2 C6 F3 109.6(6) . . ?
F2 C6 C7 115.0(6) . . ?
F1 C6 C7 109.9(6) . . ?
F3 C6 F1 104.4(6) . . ?
F3 C6 C7 112.3(6) . . ?
F22 C45 C44 111.9(7) . . ?
F22 C45 F24 109.8(9) . . ?
F22 C45 F23 107.1(8) . . ?
F24 C45 C44 110.0(6) . . ?
F24 C45 F23 105.3(8) . . ?
F23 C45 C44 112.5(8) . . ?
N2 C28 C31 99.4(5) . . ?
N2 C28 C29 109.8(6) . . ?
N2 C28 C30 105.3(7) . . ?
C29 C28 C31 115.9(8) . . ?
C29 C28 C30 109.9(8) . . ?
C30 C28 C31 115.3(7) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O6 C4 C3 127.6(6) . . ?
O6 C4 C5 115.5(5) . . ?
C3 C4 C5 116.9(5) . . ?
O2 C7 C6 112.3(5) . . ?
O2 C7 C8 127.8(6) . . ?
C8 C7 C6 119.9(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
F8 C10 F7 106.3(6) . . ?
F8 C10 F9 108.0(6) . . ?
F8 C10 C9 112.1(7) . . ?
F7 C10 C9 110.9(6) . . ?
F9 C10 F7 109.4(8) . . ?
F9 C10 C9 109.9(6) . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F13 C5 F14 106.9(6) . . ?
F13 C5 F15 106.6(7) . . ?
F13 C5 C4 112.8(5) . . ?
F14 C5 C4 110.7(6) . . ?
F15 C5 F14 106.5(5) . . ?
F15 C5 C4 113.0(6) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 C9 121.8(6) . . ?
C7 C8 H8 119.1 . . ?

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 C16 C17 -89.9(5) . . . . ?
Dy1 O7 C16 C17 84.1(5) 2_676 . . . ?
Dy1 O7 C16 C20 -94.6(5) 2_676 . . . ?
Dy1 O7 C16 C20 91.4(5) . . . . ?
Dy1 O4 C14 C13 28.9(8) . . . . ?
Dy1 O4 C14 C15 -150.6(4) . . . . ?
Dy1 O3 C12 C13 -19.9(8) . . . . ?
Dy1 O3 C12 C11 162.8(4) . . . . ?
Dy1 O2 C7 C6 175.3(4) . . . . ?
Dy1 O2 C7 C8 -5.7(10) . . . . ?
Dy1 O6 C4 C3 -7.8(11) . . . . ?
Dy1 O6 C4 C5 171.0(4) . . . . ?
Dy1 O5 C2 C1 -159.9(4) . . . . ?
Dy1 O5 C2 C3 17.9(10) . . . . ?
Dy1 O1 C9 C10 -174.4(4) . . . . ?
Dy1 O1 C9 C8 10.3(10) . . . . ?
Zn1 O12 C49 C48 -1.0(10) . . . . ?
Zn1 O12 C49 C50 178.5(5) . . . . ?
Zn1 O11 C47 C48 -2.7(9) . . . . ?
Zn1 O11 C47 C46 176.2(4) . . . . ?
Zn1 O10 C44 C43 -11.2(10) . . . . ?
Zn1 O10 C44 C45 167.8(4) . . . . ?
Zn1 O9 C42 C43 9.5(9) . . . . ?
Zn1 O9 C42 C41 -168.0(4) . . . . ?
Zn1 N5 C35 C38 137.8(4) . . . . ?
Zn1 N5 C35 C36 -102.0(5) . . . . ?
Zn1 N5 C35 C37 17.6(6) . . . . ?
Zn1 N5 C34 N4 -150.9(4) . . . . ?
Zn1 N5 C34 C23 27.0(7) . . . . ?
O7 C16 C20 C19 176.8(4) . . . . ?
O12 C49 C48 C47 -1.5(11) . . . . ?
O12 C49 C50 F26 175.0(8) . . . . ?
O12 C49 C50 F25 48.0(9) . . . . ?
O12 C49 C50 F27 -65.0(9) . . . . ?
O4 C14 C15 F17 179.4(6) . . . . ?
O4 C14 C15 F16 -59.4(7) . . . . ?
O4 C14 C15 F18 59.9(8) . . . . ?
O3 C12 C11 F6 -155.3(7) . . . . ?
O3 C12 C11 F5 -25.2(10) . . . . ?
O3 C12 C11 F4 82.9(8) . . . . ?
O11 C47 C48 C49 3.6(10) . . . . ?
O11 C47 C46 F30 25.0(7) . . . . ?
O11 C47 C46 F28 -94.8(6) . . . . ?
O11 C47 C46 F29 145.2(5) . . . . ?
O2 C7 C8 C9 -3.3(10) . . . . ?
O10 C44 C43 C42 1.3(11) . . . . ?
O10 C44 C45 F22 45.4(9) . . . . ?
O10 C44 C45 F24 -77.0(10) . . . . ?
O10 C44 C45 F23 166.0(8) . . . . ?
O6 C4 C5 F13 24.3(10) . . . . ?
O6 C4 C5 F14 143.9(6) . . . . ?
O6 C4 C5 F15 -96.7(7) . . . . ?
O9 C42 C41 F21 84.3(8) . . . . ?
O9 C42 C41 F19 -149.1(8) . . . . ?
O9 C42 C41 F20 -28.3(9) . . . . ?
N1 C21 C26 C25 -175.0(4) . . . . ?
N1 C19 C20 C16 2.0(7) . . . . ?
N1 C18 C17 C16 1.3(8) . . . . ?
O1 C9 C10 F8 176.4(6) . . . . ?
O1 C9 C10 F7 -64.9(8) . . . . ?
O1 C9 C10 F9 56.3(9) . . . . ?
O1 C9 C8 C7 1.0(10) . . . . ?
N5 C35 C38 N4 23.5(6) . . . . ?
N5 C35 C38 C39 140.1(5) . . . . ?
N5 C35 C38 C40 -88.3(5) . . . . ?
F2 C6 C7 O2 -60.7(8) . . . . ?
F2 C6 C7 C8 120.2(7) . . . . ?
O8 N2 C27 C25 6.7(10) . . . . ?
O8 N2 C27 N3 -174.4(6) . . . . ?
O8 N2 C28 C31 164.5(6) . . . . ?
O8 N2 C28 C29 42.4(11) . . . . ?
O8 N2 C28 C30 -75.9(8) . . . . ?
C22 C21 C26 C25 0.8(7) . . . . ?
C22 C23 C24 C25 -0.4(7) . . . . ?
C22 C23 C34 N5 47.3(8) . . . . ?
C22 C23 C34 N4 -135.0(5) . . . . ?
O13 N4 C34 N5 178.8(5) . . . . ?
O13 N4 C34 C23 0.8(9) . . . . ?
O13 N4 C38 C35 168.7(5) . . . . ?
O13 N4 C38 C39 47.0(9) . . . . ?
O13 N4 C38 C40 -74.3(7) . . . . ?
C21 N1 C19 C20 -176.6(4) . . . . ?
C21 N1 C18 C17 175.0(5) . . . . ?
C21 C22 C23 C24 0.3(7) . . . . ?
C21 C22 C23 C34 -175.6(4) . . . . ?
F11 C1 C2 O5 64.3(8) . . . . ?
F11 C1 C2 C3 -113.8(7) . . . . ?
F10 C1 C2 O5 -53.7(7) . . . . ?
F10 C1 C2 C3 128.2(7) . . . . ?
C19 N1 C21 C22 -43.4(7) . . . . ?
C19 N1 C21 C26 132.5(5) . . . . ?
C19 N1 C18 C17 -1.3(7) . . . . ?
C18 N1 C21 C22 140.3(5) . . . . ?
C18 N1 C21 C26 -43.8(6) . . . . ?
C18 N1 C19 C20 -0.3(7) . . . . ?
C18 C17 C16 O7 -178.4(4) . . . . ?
C18 C17 C16 C20 0.3(7) . . . . ?
C17 C16 C20 C19 -1.9(7) . . . . ?
C13 C12 C11 F6 27.1(9) . . . . ?
C13 C12 C11 F5 157.2(7) . . . . ?
C13 C12 C11 F4 -94.7(8) . . . . ?
C13 C14 C15 F17 -0.1(9) . . . . ?
C13 C14 C15 F16 121.0(6) . . . . ?
C13 C14 C15 F18 -119.7(6) . . . . ?
C26 C25 C24 C23 0.6(8) . . . . ?
C26 C25 C27 N2 28.9(8) . . . . ?
C26 C25 C27 N3 -149.9(6) . . . . ?
C23 C22 C21 N1 175.2(4) . . . . ?
C23 C22 C21 C26 -0.5(7) . . . . ?
C44 C43 C42 O9 -0.7(11) . . . . ?
C44 C43 C42 C41 176.7(6) . . . . ?
F12 C1 C2 O5 -174.3(6) . . . . ?
F12 C1 C2 C3 7.6(9) . . . . ?
C24 C25 C26 C21 -0.8(8) . . . . ?
C24 C25 C27 N2 -156.8(5) . . . . ?
C24 C25 C27 N3 24.4(9) . . . . ?
C24 C23 C34 N5 -128.6(6) . . . . ?
C24 C23 C34 N4 49.1(7) . . . . ?
C35 N5 C34 N4 9.8(6) . . . . ?
C35 N5 C34 C23 -172.3(5) . . . . ?
C34 N5 C35 C38 -21.9(6) . . . . ?
C34 N5 C35 C36 98.4(5) . . . . ?
C34 N5 C35 C37 -142.0(5) . . . . ?
C34 N4 C38 C35 -19.5(6) . . . . ?
C34 N4 C38 C39 -141.2(6) . . . . ?
C34 N4 C38 C40 97.5(6) . . . . ?
C34 C23 C24 C25 175.5(5) . . . . ?
C12 C13 C14 O4 1.1(9) . . . . ?
C12 C13 C14 C15 -179.4(6) . . . . ?
C14 C13 C12 O3 -5.5(9) . . . . ?
C14 C13 C12 C11 171.7(6) . . . . ?
N3 C31 C28 N2 22.8(8) . . . . ?
N3 C31 C28 C29 140.4(7) . . . . ?
N3 C31 C28 C30 -89.2(8) . . . . ?
F1 C6 C7 O2 57.3(8) . . . . ?
F1 C6 C7 C8 -121.8(7) . . . . ?
F3 C6 C7 O2 173.0(6) . . . . ?
F3 C6 C7 C8 -6.1(10) . . . . ?
C27 N2 C28 C31 -21.5(8) . . . . ?
C27 N2 C28 C29 -143.5(7) . . . . ?
C27 N2 C28 C30 98.2(7) . . . . ?
C27 C25 C26 C21 173.3(5) . . . . ?
C27 C25 C24 C23 -173.7(5) . . . . ?
C27 N3 C31 C28 -18.1(9) . . . . ?
C27 N3 C31 C33 100.7(7) . . . . ?
C27 N3 C31 C32 -141.9(9) . . . . ?
C43 C44 C45 F22 -135.5(8) . . . . ?
C43 C44 C45 F24 102.2(9) . . . . ?
C43 C44 C45 F23 -14.8(11) . . . . ?
C43 C42 C41 F21 -93.4(8) . . . . ?
C43 C42 C41 F19 33.2(11) . . . . ?
C43 C42 C41 F20 153.9(8) . . . . ?
C48 C47 C46 F30 -156.0(5) . . . . ?
C48 C47 C46 F28 84.2(7) . . . . ?
C48 C47 C46 F29 -35.8(8) . . . . ?
C48 C49 C50 F26 -5.4(12) . . . . ?
C48 C49 C50 F25 -132.4(8) . . . . ?
C48 C49 C50 F27 114.6(8) . . . . ?
C38 N4 C34 N5 7.4(7) . . . . ?
C38 N4 C34 C23 -170.6(5) . . . . ?
C46 C47 C48 C49 -175.2(6) . . . . ?
C3 C4 C5 F13 -156.8(7) . . . . ?
C3 C4 C5 F14 -37.1(9) . . . . ?
C3 C4 C5 F15 82.2(8) . . . . ?
C2 C3 C4 O6 -3.6(12) . . . . ?
C2 C3 C4 C5 177.6(7) . . . . ?
C36 C35 C38 N4 -91.2(5) . . . . ?
C36 C35 C38 C39 25.4(7) . . . . ?
C36 C35 C38 C40 157.0(5) . . . . ?
C37 C35 C38 N4 141.6(5) . . . . ?
C37 C35 C38 C39 -101.8(7) . . . . ?
C37 C35 C38 C40 29.8(7) . . . . ?
C50 C49 C48 C47 179.0(6) . . . . ?
C31 N3 C27 N2 4.7(9) . . . . ?
C31 N3 C27 C25 -176.4(6) . . . . ?
C6 C7 C8 C9 175.6(6) . . . . ?
C45 C44 C43 C42 -177.7(6) . . . . ?
C28 N2 C27 C25 -167.1(6) . . . . ?
C28 N2 C27 N3 11.8(8) . . . . ?
C4 C3 C2 O5 -1.7(12) . . . . ?
C4 C3 C2 C1 176.1(6) . . . . ?
C10 C9 C8 C7 -174.2(6) . . . . ?
C33 C31 C28 N2 -87.7(7) . . . . ?
C33 C31 C28 C29 29.9(10) . . . . ?
C33 C31 C28 C30 160.3(7) . . . . ?
C32 C31 C28 N2 142.0(7) . . . . ?
C32 C31 C28 C29 -100.5(9) . . . . ?
C32 C31 C28 C30 30.0(9) . . . . ?
C8 C9 C10 F8 -7.9(9) . . . . ?
C8 C9 C10 F7 110.8(8) . . . . ?
C8 C9 C10 F9 -128.0(7) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.677 0.677 232.8 18.9 ?
2 0.159 0.783 0.553 9.6 0.5 ?
3 0.841 0.217 0.447 9.6 0.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_platon_squeeze_void_probe_radius 1.20

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.270
_oxdiff_exptl_absorpt_empirical_full_min 0.547
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_preparation       'Magnetic properties'
