# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_Dy(BPA-TPA)(CH3O)
_database_code_depnum_ccdc_archive 'CCDC 2166032'
loop_
_audit_author_name
_audit_author_address
'Lei Chen'
;Jiangsu University of Science and Technology
China
;
_audit_update_record             
;
2022-04-12 deposited with the CCDC.	2022-10-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C81 H76 B2 Cl2 Dy N7 O'
_chemical_formula_weight         1418.50

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'
Cl Cl 0.1484 0.1585 '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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7371(3)
_cell_length_b                   14.2679(4)
_cell_length_c                   22.1844(6)
_cell_angle_alpha                101.261(2)
_cell_angle_beta                 93.525(2)
_cell_angle_gamma                116.025(2)
_cell_volume                     3503.18(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6162
_cell_measurement_theta_min      2.180
_cell_measurement_theta_max      19.124

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_F_000             1458
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.194
_shelx_estimated_absorpt_T_min   0.763
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44849
_diffrn_reflns_av_unetI/netI     0.0790
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.079
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             13018
_reflns_number_gt                9337
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1061P)²+5.2353P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13018
_refine_ls_number_parameters     848
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1688
_refine_ls_wR_factor_gt          0.1483
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_restrained_S_all      0.897
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.65467(3) 0.03250(2) 0.22205(2) 0.04279(12) Uani 1 1 d . . . . .
N1 N 0.6823(5) 0.0667(4) 0.3393(2) 0.0537(14) Uani 1 1 d . . . . .
N2 N 0.7972(5) 0.2296(4) 0.2855(3) 0.0559(14) Uani 1 1 d . . . . .
N3 N 0.7159(4) 0.1483(4) 0.1468(2) 0.0447(12) Uani 1 1 d . . . . .
N4 N 0.7665(4) -0.0195(4) 0.1371(2) 0.0422(12) Uani 1 1 d . . . . .
N5 N 0.5204(5) -0.1162(4) 0.1265(2) 0.0474(13) Uani 1 1 d . . . . .
N6 N 0.5707(5) -0.1448(4) 0.2592(2) 0.0525(14) Uani 1 1 d . . . . .
N7 N 0.8180(5) -0.0027(4) 0.2633(3) 0.0489(13) Uani 1 1 d . . . . .
O1 O 0.5054(4) 0.0584(4) 0.2322(2) 0.0604(12) Uani 1 1 d . U . . .
B1 B 0.2779(6) 0.3031(6) 0.1157(3) 0.0419(16) Uani 1 1 d . . . . .
B2 B 0.1468(7) 0.7791(6) 0.4060(3) 0.0427(16) Uani 1 1 d . . . . .
C1 C 0.6772(8) 0.1673(5) 0.3624(3) 0.063(2) Uani 1 1 d . . . . .
H1A H 0.690713 0.185548 0.407618 0.076 Uiso 1 1 calc R U . . .
H1B H 0.598875 0.157941 0.348230 0.076 Uiso 1 1 calc R U . . .
C2 C 0.7675(7) 0.2569(6) 0.3404(3) 0.0604(19) Uani 1 1 d . . . . .
C3 C 0.8156(8) 0.3625(6) 0.3754(4) 0.075(2) Uani 1 1 d . . . . .
H3 H 0.792072 0.378859 0.413232 0.090 Uiso 1 1 calc R U . . .
C4 C 0.8976(9) 0.4414(7) 0.3535(5) 0.091(3) Uani 1 1 d . . . . .
H4 H 0.930048 0.512822 0.376027 0.109 Uiso 1 1 calc R U . . .
C5 C 0.9325(8) 0.4157(6) 0.2982(4) 0.080(2) Uani 1 1 d . . . . .
H5 H 0.989966 0.468193 0.282691 0.096 Uiso 1 1 calc R U . . .
C6 C 0.8797(7) 0.3105(6) 0.2668(4) 0.066(2) Uani 1 1 d . . . . .
H6 H 0.903044 0.293074 0.229088 0.079 Uiso 1 1 calc R U . . .
C7 C 0.7963(8) 0.0753(7) 0.3672(3) 0.073(2) Uani 1 1 d . . . . .
H7A H 0.784144 0.047076 0.403917 0.088 Uiso 1 1 calc R U . . .
H7B H 0.853478 0.150927 0.380671 0.088 Uiso 1 1 calc R U . . .
C8 C 0.8484(7) 0.0178(6) 0.3249(4) 0.0609(19) Uani 1 1 d . . . . .
C9 C 0.9275(8) -0.0127(8) 0.3503(5) 0.085(3) Uani 1 1 d . . . . .
H9 H 0.948199 0.002430 0.393258 0.102 Uiso 1 1 calc R U . . .
C10 C 0.9749(8) -0.0657(9) 0.3109(6) 0.099(4) Uani 1 1 d . . . . .
H10 H 1.026116 -0.088756 0.326903 0.119 Uiso 1 1 calc R U . . .
C11 C 0.9452(7) -0.0837(8) 0.2481(5) 0.083(3) Uani 1 1 d . . . . .
H11 H 0.978787 -0.116742 0.221009 0.100 Uiso 1 1 calc R U . . .
C12 C 0.8654(6) -0.0530(6) 0.2247(4) 0.0584(18) Uani 1 1 d . . . . .
C13 C 0.8176(7) -0.0856(6) 0.1562(3) 0.0601(19) Uani 1 1 d . . . . .
H13A H 0.881119 -0.080922 0.133035 0.072 Uiso 1 1 calc R U . . .
H13B H 0.757179 -0.160200 0.145371 0.072 Uiso 1 1 calc R U . . .
C14 C 0.5828(8) -0.0228(6) 0.3542(3) 0.072(2) Uani 1 1 d . . . . .
H14A H 0.510730 -0.017610 0.343949 0.086 Uiso 1 1 calc R U . . .
H14B H 0.595515 -0.016198 0.398750 0.086 Uiso 1 1 calc R U . . .
C15 C 0.5664(7) -0.1310(6) 0.3205(3) 0.0553(17) Uani 1 1 d . . . . .
C16 C 0.5479(8) -0.2126(7) 0.3496(4) 0.080(3) Uani 1 1 d . . . . .
H16 H 0.548613 -0.200369 0.392379 0.096 Uiso 1 1 calc R U . . .
C17 C 0.5288(10) -0.3106(7) 0.3161(5) 0.096(3) Uani 1 1 d . . . . .
H17 H 0.514378 -0.366513 0.335303 0.115 Uiso 1 1 calc R U . . .
C18 C 0.5310(8) -0.3254(7) 0.2534(5) 0.082(3) Uani 1 1 d . . . . .
H18 H 0.517463 -0.391927 0.229083 0.099 Uiso 1 1 calc R U . . .
C19 C 0.5534(7) -0.2417(5) 0.2273(4) 0.0601(18) Uani 1 1 d . . . . .
H19 H 0.556956 -0.252090 0.184916 0.072 Uiso 1 1 calc R U . . .
C20 C 0.6898(6) -0.0755(5) 0.0763(3) 0.0489(15) Uani 1 1 d . . . . .
H20A H 0.723795 -0.114822 0.050834 0.059 Uiso 1 1 calc R U . . .
H20B H 0.686749 -0.022726 0.055465 0.059 Uiso 1 1 calc R U . . .
C21 C 0.5668(6) -0.1520(5) 0.0812(3) 0.0472(15) Uani 1 1 d . . . . .
C22 C 0.5025(7) -0.2522(6) 0.0399(3) 0.0601(19) Uani 1 1 d . . . . .
H22 H 0.537622 -0.276560 0.009206 0.072 Uiso 1 1 calc R U . . .
C23 C 0.3870(8) -0.3152(7) 0.0446(4) 0.076(2) Uani 1 1 d . . . . .
H23 H 0.343051 -0.383562 0.018228 0.091 Uiso 1 1 calc R U . . .
C24 C 0.3388(7) -0.2746(7) 0.0888(4) 0.076(2) Uani 1 1 d . . . . .
H24 H 0.259222 -0.313961 0.091305 0.091 Uiso 1 1 calc R U . . .
C25 C 0.4049(7) -0.1776(6) 0.1295(3) 0.0640(19) Uani 1 1 d . . . . .
H25 H 0.370304 -0.152533 0.160159 0.077 Uiso 1 1 calc R U . . .
C26 C 0.8611(6) 0.0840(6) 0.1328(3) 0.0548(17) Uani 1 1 d . . . . .
H26A H 0.902337 0.072044 0.099129 0.066 Uiso 1 1 calc R U . . .
H26B H 0.917839 0.117010 0.171314 0.066 Uiso 1 1 calc R U . . .
C27 C 0.8123(6) 0.1587(5) 0.1214(3) 0.0463(15) Uani 1 1 d . . . . .
C28 C 0.8643(7) 0.2351(6) 0.0875(4) 0.066(2) Uani 1 1 d . . . . .
H28 H 0.930821 0.241271 0.070034 0.079 Uiso 1 1 calc R U . . .
C29 C 0.8141(8) 0.3015(7) 0.0808(4) 0.078(2) Uani 1 1 d . . . . .
H29 H 0.846773 0.352847 0.058108 0.094 Uiso 1 1 calc R U . . .
C30 C 0.7176(8) 0.2928(7) 0.1068(4) 0.073(2) Uani 1 1 d . . . . .
H30 H 0.683499 0.337526 0.102600 0.087 Uiso 1 1 calc R U . . .
C31 C 0.6721(7) 0.2157(6) 0.1396(3) 0.0567(18) Uani 1 1 d . . . . .
H31 H 0.606630 0.210013 0.158029 0.068 Uiso 1 1 calc R U . . .
C32 C 0.2356(5) 0.3117(6) 0.1850(3) 0.0514(16) Uani 1 1 d . . . . .
C33 C 0.2562(7) 0.4108(7) 0.2231(3) 0.064(2) Uani 1 1 d . . . . .
H33 H 0.293200 0.472220 0.208320 0.076 Uiso 1 1 calc R U . . .
C34 C 0.2240(9) 0.4218(9) 0.2815(4) 0.091(3) Uani 1 1 d . . . . .
H34 H 0.240306 0.489529 0.305117 0.109 Uiso 1 1 calc R U . . .
C35 C 0.1684(8) 0.3334(10) 0.3045(4) 0.088(3) Uani 1 1 d . . . . .
H35 H 0.144371 0.340087 0.343178 0.106 Uiso 1 1 calc R U . . .
C36 C 0.1487(8) 0.2357(9) 0.2700(4) 0.086(3) Uani 1 1 d . . . . .
H36 H 0.112807 0.175489 0.285936 0.103 Uiso 1 1 calc R U . . .
C37 C 0.1813(6) 0.2242(7) 0.2114(3) 0.065(2) Uani 1 1 d . . . . .
H37 H 0.166556 0.156118 0.189028 0.077 Uiso 1 1 calc R U . . .
C38 C 0.4200(5) 0.3951(5) 0.1258(3) 0.0427(14) Uani 1 1 d . . . . .
C39 C 0.5022(6) 0.4053(5) 0.1746(3) 0.0531(16) Uani 1 1 d . . . . .
H39 H 0.475502 0.361312 0.201988 0.064 Uiso 1 1 calc R U . . .
C40 C 0.6206(6) 0.4771(6) 0.1840(4) 0.065(2) Uani 1 1 d . . . . .
H40 H 0.672233 0.481075 0.217046 0.079 Uiso 1 1 calc R U . . .
C41 C 0.6620(7) 0.5432(7) 0.1442(5) 0.077(2) Uani 1 1 d . . . . .
H41 H 0.741668 0.593049 0.150618 0.092 Uiso 1 1 calc R U . . .
C42 C 0.5852(7) 0.5350(7) 0.0952(4) 0.073(2) Uani 1 1 d . . . . .
H42 H 0.612341 0.577592 0.067141 0.088 Uiso 1 1 calc R U . . .
C43 C 0.4666(6) 0.4624(5) 0.0880(3) 0.0557(17) Uani 1 1 d . . . . .
H43 H 0.415283 0.459342 0.055157 0.067 Uiso 1 1 calc R U . . .
C44 C 0.2002(5) 0.3296(5) 0.0649(3) 0.0437(14) Uani 1 1 d . . . . .
C45 C 0.1604(6) 0.4074(6) 0.0814(4) 0.0587(18) Uani 1 1 d . . . . .
H45 H 0.172392 0.442037 0.123218 0.070 Uiso 1 1 calc R U . . .
C46 C 0.1035(7) 0.4339(6) 0.0370(4) 0.067(2) Uani 1 1 d . . . . .
H46 H 0.079293 0.486388 0.049744 0.081 Uiso 1 1 calc R U . . .
C47 C 0.0827(6) 0.3852(6) -0.0242(4) 0.063(2) Uani 1 1 d . . . . .
H47 H 0.044954 0.403553 -0.053649 0.076 Uiso 1 1 calc R U . . .
C48 C 0.1185(7) 0.3081(7) -0.0416(4) 0.071(2) Uani 1 1 d . . . . .
H48 H 0.103807 0.272375 -0.083420 0.085 Uiso 1 1 calc R U . . .
C49 C 0.1765(7) 0.2826(6) 0.0022(3) 0.0588(18) Uani 1 1 d . . . . .
H49 H 0.200848 0.230553 -0.011586 0.071 Uiso 1 1 calc R U . . .
C50 C 0.2641(6) 0.1813(5) 0.0904(3) 0.0421(14) Uani 1 1 d . . . . .
C51 C 0.1510(6) 0.0916(6) 0.0684(3) 0.0598(18) Uani 1 1 d . . . . .
H51 H 0.085210 0.103729 0.064386 0.072 Uiso 1 1 calc R U . . .
C52 C 0.1342(8) -0.0128(6) 0.0528(4) 0.074(2) Uani 1 1 d . . . . .
H52 H 0.058070 -0.068963 0.038533 0.089 Uiso 1 1 calc R U . . .
C53 C 0.2275(10) -0.0348(7) 0.0580(4) 0.080(3) Uani 1 1 d . . . . .
H53 H 0.215610 -0.105542 0.049393 0.096 Uiso 1 1 calc R U . . .
C54 C 0.3380(9) 0.0484(7) 0.0759(4) 0.077(2) Uani 1 1 d . . . . .
H54 H 0.402814 0.034533 0.077587 0.092 Uiso 1 1 calc R U . . .
C55 C 0.3564(6) 0.1551(5) 0.0918(3) 0.0521(16) Uani 1 1 d . . . . .
H55 H 0.433620 0.210337 0.103857 0.062 Uiso 1 1 calc R U . . .
C56 C 0.2571(5) 0.7649(5) 0.4382(3) 0.0393(13) Uani 1 1 d . . . . .
C57 C 0.3596(6) 0.8478(5) 0.4733(3) 0.0459(15) Uani 1 1 d . . . . .
H57 H 0.368769 0.917503 0.479631 0.055 Uiso 1 1 calc R U . . .
C58 C 0.4508(6) 0.8325(6) 0.4999(3) 0.0525(16) Uani 1 1 d . . . . .
H58 H 0.519406 0.891236 0.523130 0.063 Uiso 1 1 calc R U . . .
C59 C 0.4389(7) 0.7308(7) 0.4918(4) 0.063(2) Uani 1 1 d . . . . .
H59 H 0.499100 0.719847 0.509816 0.076 Uiso 1 1 calc R U . . .
C60 C 0.3389(7) 0.6456(6) 0.4573(4) 0.063(2) Uani 1 1 d . . . . .
H60 H 0.330751 0.576288 0.451660 0.076 Uiso 1 1 calc R U . . .
C61 C 0.2501(7) 0.6615(6) 0.4308(3) 0.0565(18) Uani 1 1 d . . . . .
H61 H 0.182558 0.602109 0.407138 0.068 Uiso 1 1 calc R U . . .
C62 C 0.0281(6) 0.7229(5) 0.4389(3) 0.0472(15) Uani 1 1 d . . . . .
C63 C 0.0249(7) 0.6708(6) 0.4862(3) 0.0595(18) Uani 1 1 d . . . . .
H63 H 0.092953 0.667785 0.501003 0.071 Uiso 1 1 calc R U . . .
C64 C -0.0757(9) 0.6235(7) 0.5117(4) 0.084(3) Uani 1 1 d . . . . .
H64 H -0.073515 0.589679 0.543263 0.101 Uiso 1 1 calc R U . . .
C65 C -0.1776(10) 0.6251(8) 0.4921(5) 0.090(3) Uani 1 1 d . . . . .
H65 H -0.245864 0.590180 0.508466 0.108 Uiso 1 1 calc R U . . .
C66 C -0.1772(7) 0.6795(7) 0.4475(4) 0.076(2) Uani 1 1 d . . . . .
H66 H -0.245183 0.684312 0.434526 0.092 Uiso 1 1 calc R U . . .
C67 C -0.0772(7) 0.7272(6) 0.4217(4) 0.0596(19) Uani 1 1 d . . . . .
H67 H -0.079492 0.763724 0.391629 0.072 Uiso 1 1 calc R U . . .
C68 C 0.1223(6) 0.7238(5) 0.3300(3) 0.0433(14) Uani 1 1 d . . . . .
C69 C 0.2098(7) 0.7165(7) 0.2997(3) 0.067(2) Uani 1 1 d . . . . .
H69 H 0.283771 0.741922 0.323690 0.081 Uiso 1 1 calc R U . . .
C70 C 0.1979(8) 0.6752(8) 0.2374(4) 0.082(3) Uani 1 1 d . . . . .
H70 H 0.261930 0.672250 0.220672 0.098 Uiso 1 1 calc R U . . .
C71 C 0.0947(9) 0.6390(9) 0.2004(4) 0.093(3) Uani 1 1 d . . . . .
H71 H 0.086349 0.612080 0.157721 0.111 Uiso 1 1 calc R U . . .
C72 C 0.0005(9) 0.6423(9) 0.2265(4) 0.093(3) Uani 1 1 d . . . . .
H72 H -0.072561 0.617272 0.201708 0.112 Uiso 1 1 calc R U . . .
C73 C 0.0161(7) 0.6833(7) 0.2901(4) 0.069(2) Uani 1 1 d . . . . .
H73 H -0.048765 0.683654 0.307029 0.083 Uiso 1 1 calc R U . . .
C74 C 0.1829(6) 0.9080(5) 0.4168(3) 0.0452(15) Uani 1 1 d . . . . .
C75 C 0.1500(7) 0.9638(6) 0.4653(3) 0.0554(17) Uani 1 1 d . . . . .
H75 H 0.106873 0.926340 0.492651 0.066 Uiso 1 1 calc R U . . .
C76 C 0.1780(7) 1.0707(6) 0.4744(4) 0.066(2) Uani 1 1 d . . . . .
H76 H 0.152469 1.103124 0.506713 0.079 Uiso 1 1 calc R U . . .
C77 C 0.2424(7) 1.1287(6) 0.4368(5) 0.076(2) Uani 1 1 d . . . . .
H77 H 0.263352 1.201544 0.443681 0.091 Uiso 1 1 calc R U . . .
C78 C 0.2766(8) 1.0796(6) 0.3886(4) 0.078(3) Uani 1 1 d . . . . .
H78 H 0.318294 1.118704 0.361486 0.093 Uiso 1 1 calc R U . . .
C79 C 0.2496(7) 0.9703(6) 0.3793(4) 0.0598(18) Uani 1 1 d . . . . .
H79 H 0.277094 0.939347 0.347316 0.072 Uiso 1 1 calc R U . . .
C80 C 0.4089(12) 0.0641(14) 0.2372(6) 0.150(6) Uani 1 1 d . U . . .
H80A H 0.353794 0.024286 0.199084 0.224 Uiso 1 1 calc R U . . .
H80B H 0.424619 0.137999 0.245577 0.224 Uiso 1 1 calc R U . . .
H80C H 0.375865 0.034101 0.270863 0.224 Uiso 1 1 calc R U . . .
C81 C 0.4663(17) 0.3860(18) 0.3463(8) 0.206(9) Uani 1 1 d . . . . .
H81A H 0.394002 0.318427 0.337510 0.248 Uiso 1 1 calc R U . . .
H81B H 0.456720 0.425902 0.317571 0.248 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5623(7) 0.3589(8) 0.3291(3) 0.309(5) Uani 1 1 d . . . . .
Cl2 Cl 0.4715(4) 0.4554(4) 0.4186(2) 0.1712(17) Uani 1 1 d . . . . .


_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 O1 2.108(5) . ?
Dy1 N3 2.495(5) . ?
Dy1 N7 2.507(5) . ?
Dy1 N1 2.523(5) . ?
Dy1 N5 2.555(5) . ?
Dy1 N6 2.602(5) . ?
Dy1 N4 2.616(5) . ?
Dy1 N2 2.616(6) . ?
N1 C1 1.458(8) . ?
N1 C14 1.464(9) . ?
N1 C7 1.486(10) . ?
N2 C2 1.333(9) . ?
N2 C6 1.336(9) . ?
N3 C31 1.335(8) . ?
N3 C27 1.343(8) . ?
N4 C20 1.465(8) . ?
N4 C26 1.466(8) . ?
N4 C13 1.468(8) . ?
N5 C21 1.327(8) . ?
N5 C25 1.357(9) . ?
N6 C19 1.339(8) . ?
N6 C15 1.343(8) . ?
N7 C8 1.334(9) . ?
N7 C12 1.348(9) . ?
O1 C80 1.275(12) . ?
B1 C50 1.644(9) . ?
B1 C44 1.658(9) . ?
B1 C32 1.660(9) . ?
B1 C38 1.673(9) . ?
B2 C56 1.646(9) . ?
B2 C74 1.650(9) . ?
B2 C62 1.661(10) . ?
B2 C68 1.662(9) . ?
C1 C2 1.489(10) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.386(10) . ?
C3 C4 1.356(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.356(10) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.499(11) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.389(11) . ?
C9 C10 1.382(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.363(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.501(10) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.495(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.379(10) . ?
C16 C17 1.356(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.371(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.354(11) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.491(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.387(9) . ?
C22 C23 1.371(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.357(12) . ?
C23 H23 0.9300 . ?
C24 C25 1.354(11) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.502(9) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.393(9) . ?
C28 C29 1.380(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.357(11) . ?
C29 H29 0.9300 . ?
C30 C31 1.371(10) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C37 1.399(10) . ?
C32 C33 1.401(10) . ?
C33 C34 1.383(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.365(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.358(13) . ?
C35 H35 0.9300 . ?
C36 C37 1.391(11) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C43 1.360(9) . ?
C38 C39 1.399(9) . ?
C39 C40 1.375(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.375(11) . ?
C40 H40 0.9300 . ?
C41 C42 1.369(12) . ?
C41 H41 0.9300 . ?
C42 C43 1.383(10) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C49 1.372(9) . ?
C44 C45 1.408(9) . ?
C45 C46 1.393(10) . ?
C45 H45 0.9300 . ?
C46 C47 1.350(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.366(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.381(10) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C55 1.382(9) . ?
C50 C51 1.415(9) . ?
C51 C52 1.376(11) . ?
C51 H51 0.9300 . ?
C52 C53 1.360(13) . ?
C52 H52 0.9300 . ?
C53 C54 1.351(12) . ?
C53 H53 0.9300 . ?
C54 C55 1.402(10) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C57 1.368(9) . ?
C56 C61 1.414(8) . ?
C57 C58 1.390(9) . ?
C57 H57 0.9300 . ?
C58 C59 1.365(10) . ?
C58 H58 0.9300 . ?
C59 C60 1.357(11) . ?
C59 H59 0.9300 . ?
C60 C61 1.368(10) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C62 C63 1.391(9) . ?
C62 C67 1.403(10) . ?
C63 C64 1.378(11) . ?
C63 H63 0.9300 . ?
C64 C65 1.354(13) . ?
C64 H64 0.9300 . ?
C65 C66 1.373(13) . ?
C65 H65 0.9300 . ?
C66 C67 1.376(10) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C68 C69 1.368(9) . ?
C68 C73 1.384(10) . ?
C69 C70 1.364(10) . ?
C69 H69 0.9300 . ?
C70 C71 1.332(12) . ?
C70 H70 0.9300 . ?
C71 C72 1.379(13) . ?
C71 H71 0.9300 . ?
C72 C73 1.382(11) . ?
C72 H72 0.9300 . ?
C73 H73 0.9300 . ?
C74 C79 1.385(9) . ?
C74 C75 1.408(9) . ?
C75 C76 1.373(9) . ?
C75 H75 0.9300 . ?
C76 C77 1.346(11) . ?
C76 H76 0.9300 . ?
C77 C78 1.363(12) . ?
C77 H77 0.9300 . ?
C78 C79 1.411(10) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 Cl1 1.484(15) . ?
C81 Cl2 1.693(16) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N3 91.68(17) . . ?
O1 Dy1 N7 151.90(19) . . ?
N3 Dy1 N7 112.16(17) . . ?
O1 Dy1 N1 84.22(19) . . ?
N3 Dy1 N1 134.96(18) . . ?
N7 Dy1 N1 68.53(19) . . ?
O1 Dy1 N5 84.47(18) . . ?
N3 Dy1 N5 84.77(17) . . ?
N7 Dy1 N5 111.35(17) . . ?
N1 Dy1 N5 138.86(18) . . ?
O1 Dy1 N6 95.14(18) . . ?
N3 Dy1 N6 157.22(17) . . ?
N7 Dy1 N6 68.77(18) . . ?
N1 Dy1 N6 67.51(17) . . ?
N5 Dy1 N6 74.32(17) . . ?
O1 Dy1 N4 141.74(17) . . ?
N3 Dy1 N4 64.06(16) . . ?
N7 Dy1 N4 65.57(17) . . ?
N1 Dy1 N4 133.98(18) . . ?
N5 Dy1 N4 65.22(16) . . ?
N6 Dy1 N4 98.23(16) . . ?
O1 Dy1 N2 91.33(19) . . ?
N3 Dy1 N2 72.02(17) . . ?
N7 Dy1 N2 82.66(18) . . ?
N1 Dy1 N2 63.29(17) . . ?
N5 Dy1 N2 156.30(18) . . ?
N6 Dy1 N2 129.35(17) . . ?
N4 Dy1 N2 106.95(17) . . ?
C1 N1 C14 110.3(6) . . ?
C1 N1 C7 110.0(6) . . ?
C14 N1 C7 110.0(6) . . ?
C1 N1 Dy1 106.2(4) . . ?
C14 N1 Dy1 106.9(4) . . ?
C7 N1 Dy1 113.3(4) . . ?
C2 N2 C6 115.7(6) . . ?
C2 N2 Dy1 113.7(5) . . ?
C6 N2 Dy1 129.4(5) . . ?
C31 N3 C27 117.5(5) . . ?
C31 N3 Dy1 122.9(4) . . ?
C27 N3 Dy1 118.3(4) . . ?
C20 N4 C26 109.2(5) . . ?
C20 N4 C13 110.0(5) . . ?
C26 N4 C13 110.1(5) . . ?
C20 N4 Dy1 112.1(3) . . ?
C26 N4 Dy1 104.3(4) . . ?
C13 N4 Dy1 111.1(4) . . ?
C21 N5 C25 118.2(6) . . ?
C21 N5 Dy1 120.4(4) . . ?
C25 N5 Dy1 119.1(4) . . ?
C19 N6 C15 117.4(6) . . ?
C19 N6 Dy1 126.9(4) . . ?
C15 N6 Dy1 114.4(4) . . ?
C8 N7 C12 119.8(6) . . ?
C8 N7 Dy1 118.8(5) . . ?
C12 N7 Dy1 121.0(4) . . ?
C80 O1 Dy1 174.3(9) . . ?
C50 B1 C44 110.7(5) . . ?
C50 B1 C32 108.2(5) . . ?
C44 B1 C32 112.2(5) . . ?
C50 B1 C38 110.4(5) . . ?
C44 B1 C38 108.1(5) . . ?
C32 B1 C38 107.2(5) . . ?
C56 B2 C74 110.1(5) . . ?
C56 B2 C62 110.0(5) . . ?
C74 B2 C62 107.8(5) . . ?
C56 B2 C68 107.5(5) . . ?
C74 B2 C68 109.0(5) . . ?
C62 B2 C68 112.5(5) . . ?
N1 C1 C2 111.4(6) . . ?
N1 C1 H1A 109.3 . . ?
C2 C1 H1A 109.3 . . ?
N1 C1 H1B 109.3 . . ?
C2 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
N2 C2 C3 122.8(8) . . ?
N2 C2 C1 116.3(6) . . ?
C3 C2 C1 120.9(7) . . ?
C4 C3 C2 118.8(8) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C3 C4 C5 119.8(8) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 117.2(8) . . ?
C6 C5 H5 121.4 . . ?
C4 C5 H5 121.4 . . ?
N2 C6 C5 125.6(8) . . ?
N2 C6 H6 117.2 . . ?
C5 C6 H6 117.2 . . ?
N1 C7 C8 115.2(6) . . ?
N1 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
N7 C8 C9 121.3(8) . . ?
N7 C8 C7 119.0(6) . . ?
C9 C8 C7 119.7(8) . . ?
C10 C9 C8 119.2(9) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C11 C10 C9 118.8(8) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 120.3(9) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
N7 C12 C11 120.7(8) . . ?
N7 C12 C13 117.5(6) . . ?
C11 C12 C13 121.5(8) . . ?
N4 C13 C12 113.7(5) . . ?
N4 C13 H13A 108.8 . . ?
C12 C13 H13A 108.8 . . ?
N4 C13 H13B 108.8 . . ?
C12 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
N1 C14 C15 113.4(6) . . ?
N1 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
N1 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
N6 C15 C16 121.2(7) . . ?
N6 C15 C14 115.9(6) . . ?
C16 C15 C14 122.9(7) . . ?
C17 C16 C15 120.3(8) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 118.5(8) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C19 C18 C17 118.9(8) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
N6 C19 C18 123.6(7) . . ?
N6 C19 H19 118.2 . . ?
C18 C19 H19 118.2 . . ?
N4 C20 C21 112.8(5) . . ?
N4 C20 H20A 109.0 . . ?
C21 C20 H20A 109.0 . . ?
N4 C20 H20B 109.0 . . ?
C21 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
N5 C21 C22 121.7(6) . . ?
N5 C21 C20 115.4(6) . . ?
C22 C21 C20 122.8(6) . . ?
C23 C22 C21 119.6(7) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 117.9(7) . . ?
C24 C23 H23 121.0 . . ?
C22 C23 H23 121.0 . . ?
C25 C24 C23 120.9(7) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 N5 121.5(7) . . ?
C24 C25 H25 119.2 . . ?
N5 C25 H25 119.2 . . ?
N4 C26 C27 111.2(5) . . ?
N4 C26 H26A 109.4 . . ?
C27 C26 H26A 109.4 . . ?
N4 C26 H26B 109.4 . . ?
C27 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
N3 C27 C28 122.0(6) . . ?
N3 C27 C26 115.6(5) . . ?
C28 C27 C26 122.4(6) . . ?
C29 C28 C27 117.9(7) . . ?
C29 C28 H28 121.0 . . ?
C27 C28 H28 121.0 . . ?
C30 C29 C28 120.8(7) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 117.5(7) . . ?
C29 C30 H30 121.2 . . ?
C31 C30 H30 121.2 . . ?
N3 C31 C30 124.2(7) . . ?
N3 C31 H31 117.9 . . ?
C30 C31 H31 117.9 . . ?
C37 C32 C33 114.4(6) . . ?
C37 C32 B1 124.2(6) . . ?
C33 C32 B1 121.3(6) . . ?
C34 C33 C32 123.2(8) . . ?
C34 C33 H33 118.4 . . ?
C32 C33 H33 118.4 . . ?
C35 C34 C33 120.2(9) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C36 C35 C34 119.0(8) . . ?
C36 C35 H35 120.5 . . ?
C34 C35 H35 120.5 . . ?
C35 C36 C37 121.1(9) . . ?
C35 C36 H36 119.4 . . ?
C37 C36 H36 119.4 . . ?
C36 C37 C32 122.1(8) . . ?
C36 C37 H37 119.0 . . ?
C32 C37 H37 119.0 . . ?
C43 C38 C39 114.5(6) . . ?
C43 C38 B1 124.9(6) . . ?
C39 C38 B1 120.5(6) . . ?
C40 C39 C38 123.1(7) . . ?
C40 C39 H39 118.4 . . ?
C38 C39 H39 118.4 . . ?
C39 C40 C41 119.5(7) . . ?
C39 C40 H40 120.3 . . ?
C41 C40 H40 120.3 . . ?
C42 C41 C40 119.5(7) . . ?
C42 C41 H41 120.2 . . ?
C40 C41 H41 120.2 . . ?
C41 C42 C43 118.9(8) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
C38 C43 C42 124.5(7) . . ?
C38 C43 H43 117.8 . . ?
C42 C43 H43 117.8 . . ?
C49 C44 C45 114.2(6) . . ?
C49 C44 B1 122.5(5) . . ?
C45 C44 B1 123.2(6) . . ?
C46 C45 C44 121.9(7) . . ?
C46 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C47 C46 C45 121.4(7) . . ?
C47 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?
C46 C47 C48 118.1(7) . . ?
C46 C47 H47 121.0 . . ?
C48 C47 H47 121.0 . . ?
C47 C48 C49 120.7(7) . . ?
C47 C48 H48 119.6 . . ?
C49 C48 H48 119.6 . . ?
C44 C49 C48 123.7(7) . . ?
C44 C49 H49 118.1 . . ?
C48 C49 H49 118.1 . . ?
C55 C50 C51 114.0(6) . . ?
C55 C50 B1 125.0(6) . . ?
C51 C50 B1 120.8(6) . . ?
C52 C51 C50 122.9(8) . . ?
C52 C51 H51 118.6 . . ?
C50 C51 H51 118.6 . . ?
C53 C52 C51 120.9(8) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C54 C53 C52 118.5(8) . . ?
C54 C53 H53 120.7 . . ?
C52 C53 H53 120.7 . . ?
C53 C54 C55 121.1(8) . . ?
C53 C54 H54 119.4 . . ?
C55 C54 H54 119.4 . . ?
C50 C55 C54 122.4(7) . . ?
C50 C55 H55 118.8 . . ?
C54 C55 H55 118.8 . . ?
C57 C56 C61 115.0(6) . . ?
C57 C56 B2 124.6(5) . . ?
C61 C56 B2 120.4(6) . . ?
C56 C57 C58 123.0(6) . . ?
C56 C57 H57 118.5 . . ?
C58 C57 H57 118.5 . . ?
C59 C58 C57 119.6(7) . . ?
C59 C58 H58 120.2 . . ?
C57 C58 H58 120.2 . . ?
C60 C59 C58 119.8(7) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C61 120.2(7) . . ?
C59 C60 H60 119.9 . . ?
C61 C60 H60 119.9 . . ?
C60 C61 C56 122.4(7) . . ?
C60 C61 H61 118.8 . . ?
C56 C61 H61 118.8 . . ?
C63 C62 C67 114.5(6) . . ?
C63 C62 B2 123.8(6) . . ?
C67 C62 B2 121.7(6) . . ?
C64 C63 C62 122.3(8) . . ?
C64 C63 H63 118.9 . . ?
C62 C63 H63 118.9 . . ?
C65 C64 C63 121.7(9) . . ?
C65 C64 H64 119.1 . . ?
C63 C64 H64 119.1 . . ?
C64 C65 C66 118.1(8) . . ?
C64 C65 H65 120.9 . . ?
C66 C65 H65 120.9 . . ?
C65 C66 C67 120.5(8) . . ?
C65 C66 H66 119.7 . . ?
C67 C66 H66 119.7 . . ?
C66 C67 C62 122.7(7) . . ?
C66 C67 H67 118.6 . . ?
C62 C67 H67 118.6 . . ?
C69 C68 C73 112.4(6) . . ?
C69 C68 B2 122.0(6) . . ?
C73 C68 B2 125.6(6) . . ?
C70 C69 C68 125.6(7) . . ?
C70 C69 H69 117.2 . . ?
C68 C69 H69 117.2 . . ?
C71 C70 C69 120.1(8) . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C71 C72 118.8(8) . . ?
C70 C71 H71 120.6 . . ?
C72 C71 H71 120.6 . . ?
C71 C72 C73 119.1(8) . . ?
C71 C72 H72 120.4 . . ?
C73 C72 H72 120.4 . . ?
C72 C73 C68 124.0(8) . . ?
C72 C73 H73 118.0 . . ?
C68 C73 H73 118.0 . . ?
C79 C74 C75 114.6(6) . . ?
C79 C74 B2 122.5(6) . . ?
C75 C74 B2 122.9(6) . . ?
C76 C75 C74 123.5(7) . . ?
C76 C75 H75 118.2 . . ?
C74 C75 H75 118.2 . . ?
C77 C76 C75 120.3(8) . . ?
C77 C76 H76 119.9 . . ?
C75 C76 H76 119.9 . . ?
C76 C77 C78 119.4(7) . . ?
C76 C77 H77 120.3 . . ?
C78 C77 H77 120.3 . . ?
C77 C78 C79 120.8(8) . . ?
C77 C78 H78 119.6 . . ?
C79 C78 H78 119.6 . . ?
C74 C79 C78 121.4(7) . . ?
C74 C79 H79 119.3 . . ?
C78 C79 H79 119.3 . . ?
O1 C80 H80A 109.5 . . ?
O1 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
O1 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
Cl1 C81 Cl2 122.7(12) . . ?
Cl1 C81 H81A 106.6 . . ?
Cl2 C81 H81A 106.6 . . ?
Cl1 C81 H81B 106.6 . . ?
Cl2 C81 H81B 106.6 . . ?
H81A C81 H81B 106.6 . . ?

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
C14 N1 C1 C2 -172.2(6) . . . . ?
C7 N1 C1 C2 66.2(7) . . . . ?
Dy1 N1 C1 C2 -56.7(7) . . . . ?
C6 N2 C2 C3 2.0(11) . . . . ?
Dy1 N2 C2 C3 -166.6(6) . . . . ?
C6 N2 C2 C1 -178.8(7) . . . . ?
Dy1 N2 C2 C1 12.6(8) . . . . ?
N1 C1 C2 N2 29.7(9) . . . . ?
N1 C1 C2 C3 -151.1(7) . . . . ?
N2 C2 C3 C4 -0.9(13) . . . . ?
C1 C2 C3 C4 179.9(8) . . . . ?
C2 C3 C4 C5 -1.0(14) . . . . ?
C3 C4 C5 C6 1.6(14) . . . . ?
C2 N2 C6 C5 -1.3(12) . . . . ?
Dy1 N2 C6 C5 165.1(7) . . . . ?
C4 C5 C6 N2 -0.5(14) . . . . ?
C1 N1 C7 C8 -144.1(6) . . . . ?
C14 N1 C7 C8 94.2(7) . . . . ?
Dy1 N1 C7 C8 -25.5(8) . . . . ?
C12 N7 C8 C9 -0.6(11) . . . . ?
Dy1 N7 C8 C9 171.8(6) . . . . ?
C12 N7 C8 C7 179.0(7) . . . . ?
Dy1 N7 C8 C7 -8.6(9) . . . . ?
N1 C7 C8 N7 23.3(10) . . . . ?
N1 C7 C8 C9 -157.0(7) . . . . ?
N7 C8 C9 C10 -0.4(13) . . . . ?
C7 C8 C9 C10 180.0(8) . . . . ?
C8 C9 C10 C11 1.9(15) . . . . ?
C9 C10 C11 C12 -2.5(15) . . . . ?
C8 N7 C12 C11 0.0(10) . . . . ?
Dy1 N7 C12 C11 -172.2(6) . . . . ?
C8 N7 C12 C13 173.0(6) . . . . ?
Dy1 N7 C12 C13 0.7(8) . . . . ?
C10 C11 C12 N7 1.6(13) . . . . ?
C10 C11 C12 C13 -171.1(8) . . . . ?
C20 N4 C13 C12 -161.9(6) . . . . ?
C26 N4 C13 C12 77.7(7) . . . . ?
Dy1 N4 C13 C12 -37.3(7) . . . . ?
N7 C12 C13 N4 25.9(9) . . . . ?
C11 C12 C13 N4 -161.2(7) . . . . ?
C1 N1 C14 C15 167.4(6) . . . . ?
C7 N1 C14 C15 -71.1(8) . . . . ?
Dy1 N1 C14 C15 52.3(7) . . . . ?
C19 N6 C15 C16 1.7(11) . . . . ?
Dy1 N6 C15 C16 -166.3(6) . . . . ?
C19 N6 C15 C14 -178.4(7) . . . . ?
Dy1 N6 C15 C14 13.6(8) . . . . ?
N1 C14 C15 N6 -46.2(10) . . . . ?
N1 C14 C15 C16 133.7(8) . . . . ?
N6 C15 C16 C17 -2.8(14) . . . . ?
C14 C15 C16 C17 177.3(9) . . . . ?
C15 C16 C17 C18 1.5(16) . . . . ?
C16 C17 C18 C19 0.6(16) . . . . ?
C15 N6 C19 C18 0.6(12) . . . . ?
Dy1 N6 C19 C18 166.9(6) . . . . ?
C17 C18 C19 N6 -1.8(14) . . . . ?
C26 N4 C20 C21 -153.8(5) . . . . ?
C13 N4 C20 C21 85.3(6) . . . . ?
Dy1 N4 C20 C21 -38.8(6) . . . . ?
C25 N5 C21 C22 -4.0(10) . . . . ?
Dy1 N5 C21 C22 158.7(5) . . . . ?
C25 N5 C21 C20 173.5(6) . . . . ?
Dy1 N5 C21 C20 -23.8(7) . . . . ?
N4 C20 C21 N5 42.3(8) . . . . ?
N4 C20 C21 C22 -140.2(6) . . . . ?
N5 C21 C22 C23 1.9(11) . . . . ?
C20 C21 C22 C23 -175.4(7) . . . . ?
C21 C22 C23 C24 2.0(12) . . . . ?
C22 C23 C24 C25 -3.9(13) . . . . ?
C23 C24 C25 N5 1.8(13) . . . . ?
C21 N5 C25 C24 2.2(11) . . . . ?
Dy1 N5 C25 C24 -160.8(6) . . . . ?
C20 N4 C26 C27 66.4(7) . . . . ?
C13 N4 C26 C27 -172.7(5) . . . . ?
Dy1 N4 C26 C27 -53.5(6) . . . . ?
C31 N3 C27 C28 -1.2(10) . . . . ?
Dy1 N3 C27 C28 -168.9(5) . . . . ?
C31 N3 C27 C26 177.7(6) . . . . ?
Dy1 N3 C27 C26 10.0(7) . . . . ?
N4 C26 C27 N3 32.3(8) . . . . ?
N4 C26 C27 C28 -148.8(7) . . . . ?
N3 C27 C28 C29 0.2(11) . . . . ?
C26 C27 C28 C29 -178.6(7) . . . . ?
C27 C28 C29 C30 0.5(13) . . . . ?
C28 C29 C30 C31 -0.3(14) . . . . ?
C27 N3 C31 C30 1.5(11) . . . . ?
Dy1 N3 C31 C30 168.6(6) . . . . ?
C29 C30 C31 N3 -0.8(13) . . . . ?
C50 B1 C32 C37 -8.7(9) . . . . ?
C44 B1 C32 C37 113.6(7) . . . . ?
C38 B1 C32 C37 -127.8(7) . . . . ?
C50 B1 C32 C33 169.0(6) . . . . ?
C44 B1 C32 C33 -68.6(8) . . . . ?
C38 B1 C32 C33 50.0(8) . . . . ?
C37 C32 C33 C34 -1.0(11) . . . . ?
B1 C32 C33 C34 -179.0(7) . . . . ?
C32 C33 C34 C35 -0.6(13) . . . . ?
C33 C34 C35 C36 2.0(15) . . . . ?
C34 C35 C36 C37 -1.7(15) . . . . ?
C35 C36 C37 C32 0.0(13) . . . . ?
C33 C32 C37 C36 1.3(11) . . . . ?
B1 C32 C37 C36 179.2(7) . . . . ?
C50 B1 C38 C43 106.7(7) . . . . ?
C44 B1 C38 C43 -14.5(8) . . . . ?
C32 B1 C38 C43 -135.7(6) . . . . ?
C50 B1 C38 C39 -71.0(7) . . . . ?
C44 B1 C38 C39 167.8(5) . . . . ?
C32 B1 C38 C39 46.6(7) . . . . ?
C43 C38 C39 C40 0.0(10) . . . . ?
B1 C38 C39 C40 178.0(6) . . . . ?
C38 C39 C40 C41 0.2(12) . . . . ?
C39 C40 C41 C42 -1.2(12) . . . . ?
C40 C41 C42 C43 2.0(13) . . . . ?
C39 C38 C43 C42 0.8(10) . . . . ?
B1 C38 C43 C42 -177.1(7) . . . . ?
C41 C42 C43 C38 -1.8(13) . . . . ?
C50 B1 C44 C49 -27.8(8) . . . . ?
C32 B1 C44 C49 -148.8(6) . . . . ?
C38 B1 C44 C49 93.2(7) . . . . ?
C50 B1 C44 C45 156.9(6) . . . . ?
C32 B1 C44 C45 35.9(8) . . . . ?
C38 B1 C44 C45 -82.1(7) . . . . ?
C49 C44 C45 C46 -0.8(10) . . . . ?
B1 C44 C45 C46 174.8(6) . . . . ?
C44 C45 C46 C47 0.8(12) . . . . ?
C45 C46 C47 C48 0.3(12) . . . . ?
C46 C47 C48 C49 -1.2(12) . . . . ?
C45 C44 C49 C48 -0.1(11) . . . . ?
B1 C44 C49 C48 -175.8(7) . . . . ?
C47 C48 C49 C44 1.2(13) . . . . ?
C44 B1 C50 C55 134.7(6) . . . . ?
C32 B1 C50 C55 -102.0(7) . . . . ?
C38 B1 C50 C55 15.0(8) . . . . ?
C44 B1 C50 C51 -49.6(7) . . . . ?
C32 B1 C50 C51 73.8(7) . . . . ?
C38 B1 C50 C51 -169.2(5) . . . . ?
C55 C50 C51 C52 3.0(10) . . . . ?
B1 C50 C51 C52 -173.2(6) . . . . ?
C50 C51 C52 C53 0.1(12) . . . . ?
C51 C52 C53 C54 -3.2(13) . . . . ?
C52 C53 C54 C55 3.2(13) . . . . ?
C51 C50 C55 C54 -3.1(9) . . . . ?
B1 C50 C55 C54 172.9(6) . . . . ?
C53 C54 C55 C50 0.1(12) . . . . ?
C74 B2 C56 C57 5.1(8) . . . . ?
C62 B2 C56 C57 -113.6(6) . . . . ?
C68 B2 C56 C57 123.7(6) . . . . ?
C74 B2 C56 C61 -175.1(5) . . . . ?
C62 B2 C56 C61 66.2(7) . . . . ?
C68 B2 C56 C61 -56.5(7) . . . . ?
C61 C56 C57 C58 0.0(9) . . . . ?
B2 C56 C57 C58 179.8(6) . . . . ?
C56 C57 C58 C59 -0.6(10) . . . . ?
C57 C58 C59 C60 0.7(11) . . . . ?
C58 C59 C60 C61 -0.1(11) . . . . ?
C59 C60 C61 C56 -0.5(11) . . . . ?
C57 C56 C61 C60 0.5(10) . . . . ?
B2 C56 C61 C60 -179.3(6) . . . . ?
C56 B2 C62 C63 -0.7(8) . . . . ?
C74 B2 C62 C63 -120.8(6) . . . . ?
C68 B2 C62 C63 119.0(7) . . . . ?
C56 B2 C62 C67 177.5(6) . . . . ?
C74 B2 C62 C67 57.4(8) . . . . ?
C68 B2 C62 C67 -62.7(8) . . . . ?
C67 C62 C63 C64 2.7(10) . . . . ?
B2 C62 C63 C64 -178.9(7) . . . . ?
C62 C63 C64 C65 0.1(13) . . . . ?
C63 C64 C65 C66 -2.8(15) . . . . ?
C64 C65 C66 C67 2.7(14) . . . . ?
C65 C66 C67 C62 0.2(13) . . . . ?
C63 C62 C67 C66 -2.8(10) . . . . ?
B2 C62 C67 C66 178.8(7) . . . . ?
C56 B2 C68 C69 -26.8(8) . . . . ?
C74 B2 C68 C69 92.5(8) . . . . ?
C62 B2 C68 C69 -148.0(7) . . . . ?
C56 B2 C68 C73 155.0(7) . . . . ?
C74 B2 C68 C73 -85.7(8) . . . . ?
C62 B2 C68 C73 33.8(9) . . . . ?
C73 C68 C69 C70 0.3(12) . . . . ?
B2 C68 C69 C70 -178.1(8) . . . . ?
C68 C69 C70 C71 1.0(16) . . . . ?
C69 C70 C71 C72 -1.3(17) . . . . ?
C70 C71 C72 C73 0.3(17) . . . . ?
C71 C72 C73 C68 1.2(16) . . . . ?
C69 C68 C73 C72 -1.4(12) . . . . ?
B2 C68 C73 C72 176.9(8) . . . . ?
C56 B2 C74 C79 82.2(7) . . . . ?
C62 B2 C74 C79 -157.8(6) . . . . ?
C68 B2 C74 C79 -35.5(8) . . . . ?
C56 B2 C74 C75 -97.0(7) . . . . ?
C62 B2 C74 C75 23.0(8) . . . . ?
C68 B2 C74 C75 145.3(6) . . . . ?
C79 C74 C75 C76 1.7(10) . . . . ?
B2 C74 C75 C76 -179.1(7) . . . . ?
C74 C75 C76 C77 -1.4(12) . . . . ?
C75 C76 C77 C78 1.8(13) . . . . ?
C76 C77 C78 C79 -2.6(13) . . . . ?
C75 C74 C79 C78 -2.5(10) . . . . ?
B2 C74 C79 C78 178.3(7) . . . . ?
C77 C78 C79 C74 3.1(13) . . . . ?

_refine_diff_density_max         0.884
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.096



####################################################################### 
# 
# 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_Dy(BPA-TPA)(PhO)
_database_code_depnum_ccdc_archive 'CCDC 2166033'
loop_
_audit_author_name
_audit_author_address
'Lei Chen'
;Jiangsu University of Science and Technology
China
;
_audit_update_record             
;
2022-04-12 deposited with the CCDC.	2022-10-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H78 B2 Cl2 Dy N7 O'
_chemical_formula_weight         1480.57

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'
Cl Cl 0.1484 0.1585 '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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.0388(2)
_cell_length_b                   14.4810(2)
_cell_length_c                   21.4518(3)
_cell_angle_alpha                91.2700(10)
_cell_angle_beta                 97.2790(10)
_cell_angle_gamma                111.8680(10)
_cell_volume                     4003.23(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      2.497
_cell_measurement_theta_max      21.179

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_F_000             1522
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    1.048
_shelx_estimated_absorpt_T_min   0.810
_shelx_estimated_absorpt_T_max   0.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8099
_exptl_absorpt_correction_T_max  0.8502
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59576
_diffrn_reflns_av_unetI/netI     0.0639
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.496
_diffrn_reflns_theta_max         27.540
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             18235
_reflns_number_gt                14016
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0494P)²+2.2866P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18235
_refine_ls_number_parameters     919
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0470
_refine_ls_wR_factor_ref         0.1173
_refine_ls_wR_factor_gt          0.1071
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.34470(2) 0.24355(2) 0.26260(2) 0.03363(6) Uani 1 1 d . . . . .
Cl1 Cl 0.9377(3) 0.6017(3) 0.21129(17) 0.1019(10) Uani 0.5 1 d D U P . .
Cl2 Cl 0.7632(4) 0.4189(4) 0.1668(2) 0.1537(19) Uani 0.5 1 d D U P . .
Cl3 Cl 0.2843(7) 0.8100(7) 0.2078(3) 0.230(3) Uani 0.5 1 d D U P . .
Cl4 Cl 0.2394(5) 0.8738(5) 0.0892(3) 0.187(2) Uani 0.5 1 d D U P . .
N1 N 0.2482(3) 0.3570(3) 0.23823(16) 0.0471(8) Uani 1 1 d . . . . .
N2 N 0.4190(2) 0.3520(2) 0.17391(14) 0.0432(8) Uani 1 1 d . . . . .
N3 N 0.2199(2) 0.1940(2) 0.15410(14) 0.0399(8) Uani 1 1 d . . . . .
N4 N 0.2307(2) 0.0618(2) 0.24655(14) 0.0388(7) Uani 1 1 d . . . . .
N5 N 0.3819(2) 0.1456(2) 0.35336(14) 0.0396(8) Uani 1 1 d . . . . .
N6 N 0.4745(2) 0.1704(3) 0.24317(16) 0.0457(8) Uani 1 1 d . . . . .
N7 N 0.2281(3) 0.2201(3) 0.34720(16) 0.0481(9) Uani 1 1 d . . . . .
O1 O 0.4575(2) 0.3616(2) 0.32033(12) 0.0467(7) Uani 1 1 d . . . . .
B1 B 0.8131(3) 0.2002(3) 0.4889(2) 0.0409(10) Uani 1 1 d . . . . .
B2 B 0.7159(4) 0.8554(4) 0.1073(2) 0.0455(11) Uani 1 1 d . . . . .
C1 C 0.4915(3) 0.1572(3) 0.35555(19) 0.0483(11) Uani 1 1 d . . . . .
H1A H 0.507160 0.114100 0.385728 0.058 Uiso 1 1 calc R U . . .
H1B H 0.536355 0.225585 0.369426 0.058 Uiso 1 1 calc R U . . .
C2 C 0.5122(3) 0.1312(3) 0.2921(2) 0.0479(10) Uani 1 1 d . . . . .
C3 C 0.5691(4) 0.0732(4) 0.2842(3) 0.0696(14) Uani 1 1 d . . . . .
H3 H 0.592552 0.045224 0.318470 0.084 Uiso 1 1 calc R U . . .
C4 C 0.5907(5) 0.0571(5) 0.2256(4) 0.0891(19) Uani 1 1 d . . . . .
H4 H 0.629158 0.018272 0.219488 0.107 Uiso 1 1 calc R U . . .
C5 C 0.5549(5) 0.0991(5) 0.1758(3) 0.0823(17) Uani 1 1 d . . . . .
H5 H 0.569533 0.089790 0.135584 0.099 Uiso 1 1 calc R U . . .
C6 C 0.4971(4) 0.1549(4) 0.1860(2) 0.0596(12) Uani 1 1 d . . . . .
H6 H 0.472732 0.182985 0.152103 0.072 Uiso 1 1 calc R U . . .
C7 C 0.5001(3) 0.4390(3) 0.1888(2) 0.0536(12) Uani 1 1 d . . . . .
H7 H 0.545248 0.445427 0.225759 0.064 Uiso 1 1 calc R U . . .
C8 C 0.5195(4) 0.5178(3) 0.1527(2) 0.0657(14) Uani 1 1 d . . . . .
H8 H 0.578293 0.575584 0.163766 0.079 Uiso 1 1 calc R U . . .
C9 C 0.4514(4) 0.5111(3) 0.0998(2) 0.0681(14) Uani 1 1 d . . . . .
H9 H 0.461497 0.565433 0.075439 0.082 Uiso 1 1 calc R U . . .
C10 C 0.3679(4) 0.4234(3) 0.0829(2) 0.0549(11) Uani 1 1 d . . . . .
H10 H 0.320967 0.417059 0.046827 0.066 Uiso 1 1 calc R U . . .
C11 C 0.3549(3) 0.3447(3) 0.12045(18) 0.0412(9) Uani 1 1 d . . . . .
C12 C 0.2723(3) 0.2433(3) 0.10093(18) 0.0474(11) Uani 1 1 d . . . . .
H12A H 0.220768 0.249849 0.068524 0.057 Uiso 1 1 calc R U . . .
H12B H 0.303278 0.201301 0.082837 0.057 Uiso 1 1 calc R U . . .
C13 C 0.1336(3) 0.2249(4) 0.1628(2) 0.0540(12) Uani 1 1 d . . . . .
H13A H 0.090013 0.179520 0.189548 0.065 Uiso 1 1 calc R U . . .
H13B H 0.091803 0.219120 0.122176 0.065 Uiso 1 1 calc R U . . .
C14 C 0.1675(3) 0.3291(3) 0.1914(2) 0.0510(11) Uani 1 1 d . . . . .
C15 C 0.1164(4) 0.3908(5) 0.1736(3) 0.0801(17) Uani 1 1 d . . . . .
H15 H 0.061814 0.370273 0.140443 0.096 Uiso 1 1 calc R U . . .
C16 C 0.1462(5) 0.4828(5) 0.2051(4) 0.104(2) Uani 1 1 d . . . . .
H16 H 0.112206 0.525420 0.193670 0.125 Uiso 1 1 calc R U . . .
C17 C 0.2274(5) 0.5110(5) 0.2538(4) 0.097(2) Uani 1 1 d . . . . .
H17 H 0.248085 0.572241 0.276700 0.116 Uiso 1 1 calc R U . . .
C18 C 0.2775(4) 0.4471(4) 0.2679(3) 0.0678(14) Uani 1 1 d . . . . .
H18 H 0.334314 0.467618 0.299652 0.081 Uiso 1 1 calc R U . . .
C19 C 0.1768(3) 0.0844(3) 0.13873(19) 0.0508(11) Uani 1 1 d . . . . .
H19A H 0.225807 0.065873 0.118571 0.061 Uiso 1 1 calc R U . . .
H19B H 0.113121 0.065858 0.109251 0.061 Uiso 1 1 calc R U . . .
C20 C 0.1549(3) 0.0287(3) 0.19639(19) 0.0474(10) Uani 1 1 d . . . . .
C21 C 0.0659(4) -0.0537(4) 0.1974(2) 0.0732(17) Uani 1 1 d . . . . .
H21 H 0.014037 -0.074461 0.162699 0.088 Uiso 1 1 calc R U . . .
C22 C 0.0554(4) -0.1050(4) 0.2512(3) 0.086(2) Uani 1 1 d . . . . .
H22 H -0.005445 -0.159292 0.253834 0.103 Uiso 1 1 calc R U . . .
C23 C 0.1347(3) -0.0758(3) 0.3008(2) 0.0612(14) Uani 1 1 d . . . . .
H23 H 0.130114 -0.112152 0.336222 0.073 Uiso 1 1 calc R U . . .
C24 C 0.2213(3) 0.0085(3) 0.29696(18) 0.0416(9) Uani 1 1 d . . . . .
C25 C 0.3131(3) 0.0378(3) 0.3479(2) 0.0481(10) Uani 1 1 d . . . . .
H25A H 0.288205 0.020684 0.387906 0.058 Uiso 1 1 calc R U . . .
H25B H 0.354014 -0.001355 0.340175 0.058 Uiso 1 1 calc R U . . .
C26 C 0.3701(3) 0.1964(3) 0.41090(18) 0.0497(11) Uani 1 1 d . . . . .
H26A H 0.423755 0.262795 0.418015 0.060 Uiso 1 1 calc R U . . .
H26B H 0.378161 0.159428 0.447012 0.060 Uiso 1 1 calc R U . . .
C27 C 0.2660(3) 0.2036(3) 0.40444(19) 0.0462(10) Uani 1 1 d . . . . .
C28 C 0.2130(4) 0.1963(4) 0.4557(2) 0.0664(14) Uani 1 1 d . . . . .
H28 H 0.240032 0.183581 0.494974 0.080 Uiso 1 1 calc R U . . .
C29 C 0.1198(5) 0.2082(4) 0.4471(3) 0.0791(17) Uani 1 1 d . . . . .
H29 H 0.084375 0.205914 0.481214 0.095 Uiso 1 1 calc R U . . .
C30 C 0.1350(3) 0.2285(4) 0.3413(2) 0.0587(12) Uani 1 1 d . . . . .
H30 H 0.106878 0.238627 0.301609 0.070 Uiso 1 1 calc R U . . .
C31 C 0.5382(3) 0.4294(3) 0.35763(18) 0.0420(10) Uani 1 1 d . . . . .
C32 C 0.6399(3) 0.4379(3) 0.3532(2) 0.0537(11) Uani 1 1 d . . . . .
H32 H 0.651137 0.395726 0.324203 0.064 Uiso 1 1 calc R U . . .
C33 C 0.7228(4) 0.5072(4) 0.3908(2) 0.0663(14) Uani 1 1 d . . . . .
H33 H 0.789679 0.511520 0.387302 0.080 Uiso 1 1 calc R U . . .
C34 C 0.7081(5) 0.5698(4) 0.4333(3) 0.0826(19) Uani 1 1 d . . . . .
H34 H 0.764835 0.617328 0.458495 0.099 Uiso 1 1 calc R U . . .
C35 C 0.6088(5) 0.5628(4) 0.4391(2) 0.0729(15) Uani 1 1 d . . . . .
H35 H 0.598791 0.605488 0.468288 0.088 Uiso 1 1 calc R U . . .
C36 C 0.5239(4) 0.4922(3) 0.4014(2) 0.0534(11) Uani 1 1 d . . . . .
H36 H 0.457130 0.487259 0.405844 0.064 Uiso 1 1 calc R U . . .
C37 C 0.9041(3) 0.1827(3) 0.53894(18) 0.0394(9) Uani 1 1 d . . . . .
C38 C 0.9235(3) 0.0948(3) 0.53882(19) 0.0471(10) Uani 1 1 d . . . . .
H38 H 0.879253 0.040786 0.511571 0.057 Uiso 1 1 calc R U . . .
C39 C 1.0050(4) 0.0840(4) 0.5771(2) 0.0605(12) Uani 1 1 d . . . . .
H39 H 1.015058 0.024101 0.575076 0.073 Uiso 1 1 calc R U . . .
C40 C 1.0715(4) 0.1627(4) 0.6184(2) 0.0655(14) Uani 1 1 d . . . . .
H40 H 1.128023 0.157150 0.643365 0.079 Uiso 1 1 calc R U . . .
C41 C 1.0529(3) 0.2492(4) 0.6221(2) 0.0559(12) Uani 1 1 d . . . . .
H41 H 1.096063 0.302047 0.650541 0.067 Uiso 1 1 calc R U . . .
C42 C 0.9703(3) 0.2578(3) 0.5837(2) 0.0473(10) Uani 1 1 d . . . . .
H42 H 0.958261 0.316389 0.587990 0.057 Uiso 1 1 calc R U . . .
C43 C 0.8673(3) 0.2798(3) 0.4378(2) 0.0479(10) Uani 1 1 d . . . . .
C44 C 0.9581(4) 0.3649(3) 0.4535(2) 0.0613(13) Uani 1 1 d . . . . .
H44 H 0.991126 0.376284 0.494940 0.074 Uiso 1 1 calc R U . . .
C45 C 1.0014(5) 0.4330(4) 0.4110(3) 0.0782(16) Uani 1 1 d . . . . .
H45 H 1.061266 0.488801 0.424363 0.094 Uiso 1 1 calc R U . . .
C46 C 0.9574(6) 0.4188(5) 0.3505(3) 0.095(2) Uani 1 1 d . . . . .
H46 H 0.987874 0.463493 0.321580 0.114 Uiso 1 1 calc R U . . .
C47 C 0.8664(6) 0.3372(5) 0.3312(3) 0.0888(19) Uani 1 1 d . . . . .
H47 H 0.834763 0.327456 0.289477 0.107 Uiso 1 1 calc R U . . .
C48 C 0.7455(3) 0.2471(3) 0.52779(19) 0.0407(9) Uani 1 1 d . . . . .
C49 C 0.6996(4) 0.3104(4) 0.5013(2) 0.0574(12) Uani 1 1 d . . . . .
H49 H 0.709895 0.328918 0.460724 0.069 Uiso 1 1 calc R U . . .
C50 C 0.6400(4) 0.3465(4) 0.5327(3) 0.0718(15) Uani 1 1 d . . . . .
H50 H 0.611027 0.388525 0.513107 0.086 Uiso 1 1 calc R U . . .
C51 C 0.6225(4) 0.3211(4) 0.5931(3) 0.0638(13) Uani 1 1 d . . . . .
H51 H 0.582205 0.345787 0.614397 0.077 Uiso 1 1 calc R U . . .
C52 C 0.6652(4) 0.2595(4) 0.6208(2) 0.0581(12) Uani 1 1 d . . . . .
H52 H 0.653643 0.241019 0.661310 0.070 Uiso 1 1 calc R U . . .
C53 C 0.7257(3) 0.2241(3) 0.5891(2) 0.0485(10) Uani 1 1 d . . . . .
H53 H 0.754895 0.182763 0.609421 0.058 Uiso 1 1 calc R U . . .
C54 C 0.7381(3) 0.0915(3) 0.45322(18) 0.0420(9) Uani 1 1 d . . . . .
C55 C 0.7709(3) 0.0455(3) 0.4066(2) 0.0472(10) Uani 1 1 d . . . . .
H55 H 0.834643 0.080681 0.393728 0.057 Uiso 1 1 calc R U . . .
C56 C 0.7136(3) -0.0487(4) 0.3789(2) 0.0548(11) Uani 1 1 d . . . . .
H56 H 0.739126 -0.075804 0.348309 0.066 Uiso 1 1 calc R U . . .
C57 C 0.6179(4) -0.1037(4) 0.3963(2) 0.0579(12) Uani 1 1 d . . . . .
H57 H 0.578769 -0.167432 0.377676 0.069 Uiso 1 1 calc R U . . .
C58 C 0.5821(3) -0.0623(3) 0.4416(2) 0.0556(12) Uani 1 1 d . . . . .
H58 H 0.518225 -0.098393 0.454041 0.067 Uiso 1 1 calc R U . . .
C59 C 0.6407(3) 0.0335(3) 0.46915(19) 0.0470(10) Uani 1 1 d . . . . .
H59 H 0.614197 0.060142 0.499373 0.056 Uiso 1 1 calc R U . . .
C60 C 0.8006(3) 0.8199(3) 0.07820(19) 0.0461(10) Uani 1 1 d . . . . .
C61 C 0.7959(4) 0.7215(4) 0.0764(2) 0.0603(12) Uani 1 1 d . . . . .
H61 H 0.742349 0.673636 0.093066 0.072 Uiso 1 1 calc R U . . .
C62 C 0.8668(5) 0.6921(5) 0.0511(3) 0.0767(16) Uani 1 1 d . . . . .
H62 H 0.860255 0.625760 0.051276 0.092 Uiso 1 1 calc R U . . .
C63 C 0.9474(4) 0.7608(5) 0.0256(3) 0.0755(16) Uani 1 1 d . . . . .
H63 H 0.996157 0.741864 0.009085 0.091 Uiso 1 1 calc R U . . .
C64 C 0.9537(4) 0.8565(5) 0.0251(2) 0.0637(14) Uani 1 1 d . . . . .
H64 H 1.006350 0.903251 0.007175 0.076 Uiso 1 1 calc R U . . .
C65 C 0.8832(3) 0.8855(4) 0.0509(2) 0.0524(11) Uani 1 1 d . . . . .
H65 H 0.890839 0.952073 0.050098 0.063 Uiso 1 1 calc R U . . .
C66 C 0.7711(3) 0.9755(3) 0.1303(2) 0.0548(11) Uani 1 1 d . . . . .
C67 C 0.8137(4) 1.0106(4) 0.1919(3) 0.0689(14) Uani 1 1 d . . . . .
H67 H 0.811642 0.964089 0.221437 0.083 Uiso 1 1 calc R U . . .
C68 C 0.8594(4) 1.1112(5) 0.2124(4) 0.100(2) Uani 1 1 d . . . . .
H68 H 0.886710 1.130682 0.254566 0.120 Uiso 1 1 calc R U . . .
C69 C 0.8638(5) 1.1809(5) 0.1701(6) 0.115(3) Uani 1 1 d . . . . .
H69 H 0.892739 1.248379 0.183633 0.138 Uiso 1 1 calc R U . . .
C70 C 0.8257(5) 1.1520(5) 0.1077(5) 0.101(2) Uani 1 1 d . . . . .
H70 H 0.830064 1.199366 0.078503 0.121 Uiso 1 1 calc R U . . .
C71 C 0.7798(4) 1.0496(4) 0.0885(3) 0.0805(17) Uani 1 1 d . . . . .
H71 H 0.754289 1.030565 0.046086 0.097 Uiso 1 1 calc R U . . .
C72 C 0.6122(3) 0.8302(3) 0.05362(18) 0.0433(9) Uani 1 1 d . . . . .
C73 C 0.5520(4) 0.8881(4) 0.0474(3) 0.0669(14) Uani 1 1 d . . . . .
H73 H 0.574178 0.947914 0.072053 0.080 Uiso 1 1 calc R U . . .
C74 C 0.4598(4) 0.8600(5) 0.0056(3) 0.0774(16) Uani 1 1 d . . . . .
H74 H 0.422046 0.900978 0.003107 0.093 Uiso 1 1 calc R U . . .
C75 C 0.4245(4) 0.7737(5) -0.0313(3) 0.0727(16) Uani 1 1 d . . . . .
H75 H 0.363364 0.755862 -0.059388 0.087 Uiso 1 1 calc R U . . .
C76 C 0.4792(4) 0.7132(4) -0.0269(2) 0.0644(14) Uani 1 1 d . . . . .
H76 H 0.454657 0.652918 -0.051334 0.077 Uiso 1 1 calc R U . . .
C77 C 0.5728(3) 0.7421(3) 0.0145(2) 0.0521(11) Uani 1 1 d . . . . .
H77 H 0.610144 0.700724 0.016009 0.063 Uiso 1 1 calc R U . . .
C78 C 0.6748(3) 0.7943(3) 0.16869(19) 0.0449(10) Uani 1 1 d . . . . .
C79 C 0.5772(4) 0.7800(4) 0.1855(2) 0.0584(12) Uani 1 1 d . . . . .
H79 H 0.533122 0.801996 0.159395 0.070 Uiso 1 1 calc R U . . .
C80 C 0.5434(4) 0.7347(4) 0.2392(2) 0.0716(15) Uani 1 1 d . . . . .
H80 H 0.478658 0.728201 0.248958 0.086 Uiso 1 1 calc R U . . .
C81 C 0.6050(5) 0.6998(4) 0.2776(2) 0.0694(15) Uani 1 1 d . . . . .
H81 H 0.581821 0.668049 0.313090 0.083 Uiso 1 1 calc R U . . .
C82 C 0.7004(4) 0.7115(4) 0.2640(2) 0.0667(14) Uani 1 1 d . . . . .
H82 H 0.742694 0.687698 0.290279 0.080 Uiso 1 1 calc R U . . .
C83 C 0.7350(4) 0.7586(3) 0.2111(2) 0.0590(13) Uani 1 1 d . . . . .
H83 H 0.801327 0.766913 0.203408 0.071 Uiso 1 1 calc R U . . .
C84 C 0.0794(4) 0.2231(4) 0.3897(3) 0.0670(14) Uani 1 1 d . . . . .
H84 H 0.015459 0.229445 0.383264 0.080 Uiso 1 1 calc R U . . .
C85 C 0.8228(4) 0.2698(4) 0.3748(2) 0.0654(13) Uani 1 1 d . . . . .
H85 H 0.761182 0.215857 0.361335 0.079 Uiso 1 1 calc R U . . .
C86 C 0.8120(7) 0.5260(7) 0.2144(5) 0.098(3) Uani 0.5 1 d D U P . .
H86A H 0.806124 0.508522 0.257499 0.118 Uiso 0.5 1 calc R U P . .
H86B H 0.768824 0.563978 0.203921 0.118 Uiso 0.5 1 calc R U P . .
C87 C 0.3099(16) 0.824(2) 0.1356(6) 0.214(6) Uani 0.5 1 d D U P . .
H87A H 0.299689 0.759408 0.116184 0.257 Uiso 0.5 1 calc R U P . .
H87B H 0.382585 0.866209 0.137187 0.257 Uiso 0.5 1 calc R U P . .


_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 O1 2.087(3) . ?
Dy1 N6 2.496(3) . ?
Dy1 N4 2.508(3) . ?
Dy1 N1 2.514(3) . ?
Dy1 N7 2.540(3) . ?
Dy1 N5 2.548(3) . ?
Dy1 N2 2.567(3) . ?
Dy1 N3 2.638(3) . ?
Cl1 C86 1.706(8) . ?
Cl2 C86 1.696(8) . ?
Cl3 C87 1.634(9) . ?
Cl4 C87 1.673(9) . ?
N1 C18 1.333(6) . ?
N1 C14 1.344(5) . ?
N2 C11 1.342(5) . ?
N2 C7 1.343(5) . ?
N3 C13 1.470(6) . ?
N3 C19 1.485(5) . ?
N3 C12 1.486(5) . ?
N4 C24 1.334(5) . ?
N4 C20 1.351(5) . ?
N5 C1 1.479(5) . ?
N5 C26 1.482(5) . ?
N5 C25 1.491(5) . ?
N6 C6 1.338(6) . ?
N6 C2 1.347(5) . ?
N7 C27 1.337(5) . ?
N7 C30 1.348(5) . ?
O1 C31 1.340(4) . ?
B1 C54 1.637(6) . ?
B1 C48 1.646(6) . ?
B1 C43 1.652(6) . ?
B1 C37 1.660(6) . ?
B2 C60 1.644(7) . ?
B2 C78 1.647(6) . ?
B2 C66 1.651(7) . ?
B2 C72 1.655(6) . ?
C1 C2 1.495(6) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.379(7) . ?
C3 C4 1.365(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.356(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.364(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.372(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.379(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.502(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.494(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.372(7) . ?
C15 C16 1.371(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.373(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.493(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.372(5) . ?
C21 C22 1.381(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.370(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.378(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.500(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.493(6) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.388(6) . ?
C28 C29 1.372(8) . ?
C28 H28 0.9300 . ?
C29 C84 1.346(8) . ?
C29 H29 0.9300 . ?
C30 C84 1.363(6) . ?
C30 H30 0.9300 . ?
C31 C36 1.377(6) . ?
C31 C32 1.402(6) . ?
C32 C33 1.367(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.359(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.381(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.390(6) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.394(5) . ?
C37 C38 1.397(6) . ?
C38 C39 1.382(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.381(7) . ?
C39 H39 0.9300 . ?
C40 C41 1.374(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.382(6) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C85 1.395(6) . ?
C43 C44 1.400(6) . ?
C44 C45 1.380(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.342(8) . ?
C45 H45 0.9300 . ?
C46 C47 1.385(9) . ?
C46 H46 0.9300 . ?
C47 C85 1.394(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.396(6) . ?
C48 C53 1.400(6) . ?
C49 C50 1.370(7) . ?
C49 H49 0.9300 . ?
C50 C51 1.382(7) . ?
C50 H50 0.9300 . ?
C51 C52 1.357(7) . ?
C51 H51 0.9300 . ?
C52 C53 1.380(6) . ?
C52 H52 0.9300 . ?
C53 H53 0.9300 . ?
C54 C59 1.403(5) . ?
C54 C55 1.405(6) . ?
C55 C56 1.374(6) . ?
C55 H55 0.9300 . ?
C56 C57 1.387(6) . ?
C56 H56 0.9300 . ?
C57 C58 1.370(7) . ?
C57 H57 0.9300 . ?
C58 C59 1.394(6) . ?
C58 H58 0.9300 . ?
C59 H59 0.9300 . ?
C60 C61 1.400(6) . ?
C60 C65 1.403(6) . ?
C61 C62 1.382(7) . ?
C61 H61 0.9300 . ?
C62 C63 1.384(8) . ?
C62 H62 0.9300 . ?
C63 C64 1.355(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.378(7) . ?
C64 H64 0.9300 . ?
C65 H65 0.9300 . ?
C66 C67 1.381(7) . ?
C66 C71 1.394(7) . ?
C67 C68 1.390(8) . ?
C67 H67 0.9300 . ?
C68 C69 1.361(11) . ?
C68 H68 0.9300 . ?
C69 C70 1.372(11) . ?
C69 H69 0.9300 . ?
C70 C71 1.405(9) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C72 C73 1.394(6) . ?
C72 C77 1.395(6) . ?
C73 C74 1.393(7) . ?
C73 H73 0.9300 . ?
C74 C75 1.352(8) . ?
C74 H74 0.9300 . ?
C75 C76 1.361(7) . ?
C75 H75 0.9300 . ?
C76 C77 1.404(6) . ?
C76 H76 0.9300 . ?
C77 H77 0.9300 . ?
C78 C83 1.401(6) . ?
C78 C79 1.402(6) . ?
C79 C80 1.388(6) . ?
C79 H79 0.9300 . ?
C80 C81 1.357(7) . ?
C80 H80 0.9300 . ?
C81 C82 1.357(7) . ?
C81 H81 0.9300 . ?
C82 C83 1.383(7) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 H85 0.9300 . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 N6 91.50(11) . . ?
O1 Dy1 N4 148.94(10) . . ?
N6 Dy1 N4 79.59(11) . . ?
O1 Dy1 N1 87.78(11) . . ?
N6 Dy1 N1 152.94(12) . . ?
N4 Dy1 N1 113.41(11) . . ?
O1 Dy1 N7 88.36(11) . . ?
N6 Dy1 N7 132.22(11) . . ?
N4 Dy1 N7 76.55(11) . . ?
N1 Dy1 N7 74.82(11) . . ?
O1 Dy1 N5 81.25(10) . . ?
N6 Dy1 N5 67.60(11) . . ?
N4 Dy1 N5 67.81(9) . . ?
N1 Dy1 N5 138.65(11) . . ?
N7 Dy1 N5 65.18(11) . . ?
O1 Dy1 N2 83.16(10) . . ?
N6 Dy1 N2 82.46(11) . . ?
N4 Dy1 N2 124.32(10) . . ?
N1 Dy1 N2 70.59(11) . . ?
N7 Dy1 N2 144.61(12) . . ?
N5 Dy1 N2 145.65(10) . . ?
O1 Dy1 N3 144.70(10) . . ?
N6 Dy1 N3 101.26(11) . . ?
N4 Dy1 N3 66.30(9) . . ?
N1 Dy1 N3 66.13(11) . . ?
N7 Dy1 N3 105.94(10) . . ?
N5 Dy1 N3 134.04(10) . . ?
N2 Dy1 N3 66.38(9) . . ?
C18 N1 C14 118.0(4) . . ?
C18 N1 Dy1 122.3(3) . . ?
C14 N1 Dy1 119.6(3) . . ?
C11 N2 C7 117.2(3) . . ?
C11 N2 Dy1 117.9(2) . . ?
C7 N2 Dy1 119.1(3) . . ?
C13 N3 C19 108.1(3) . . ?
C13 N3 C12 110.6(3) . . ?
C19 N3 C12 108.5(3) . . ?
C13 N3 Dy1 105.7(2) . . ?
C19 N3 Dy1 111.4(2) . . ?
C12 N3 Dy1 112.5(2) . . ?
C24 N4 C20 118.6(3) . . ?
C24 N4 Dy1 117.6(2) . . ?
C20 N4 Dy1 119.6(2) . . ?
C1 N5 C26 109.5(3) . . ?
C1 N5 C25 110.4(3) . . ?
C26 N5 C25 110.4(3) . . ?
C1 N5 Dy1 106.2(2) . . ?
C26 N5 Dy1 105.5(2) . . ?
C25 N5 Dy1 114.6(2) . . ?
C6 N6 C2 118.2(4) . . ?
C6 N6 Dy1 124.0(3) . . ?
C2 N6 Dy1 117.0(3) . . ?
C27 N7 C30 116.7(4) . . ?
C27 N7 Dy1 116.5(3) . . ?
C30 N7 Dy1 126.7(3) . . ?
C31 O1 Dy1 171.7(3) . . ?
C54 B1 C48 110.4(3) . . ?
C54 B1 C43 110.9(3) . . ?
C48 B1 C43 108.4(3) . . ?
C54 B1 C37 107.5(3) . . ?
C48 B1 C37 109.7(3) . . ?
C43 B1 C37 109.9(3) . . ?
C60 B2 C78 112.0(4) . . ?
C60 B2 C66 109.0(3) . . ?
C78 B2 C66 108.1(4) . . ?
C60 B2 C72 109.3(3) . . ?
C78 B2 C72 106.3(3) . . ?
C66 B2 C72 112.1(4) . . ?
N5 C1 C2 110.8(3) . . ?
N5 C1 H1A 109.5 . . ?
C2 C1 H1A 109.5 . . ?
N5 C1 H1B 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
N6 C2 C3 121.7(4) . . ?
N6 C2 C1 116.0(4) . . ?
C3 C2 C1 122.3(4) . . ?
C4 C3 C2 119.5(5) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.0(5) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 119.2(6) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
N6 C6 C5 122.3(5) . . ?
N6 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
N2 C7 C8 123.4(4) . . ?
N2 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C7 C8 C9 119.0(4) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C8 C9 C10 119.2(4) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C9 C10 C11 118.8(4) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
N2 C11 C10 122.3(4) . . ?
N2 C11 C12 116.1(3) . . ?
C10 C11 C12 121.4(4) . . ?
N3 C12 C11 113.0(3) . . ?
N3 C12 H12A 109.0 . . ?
C11 C12 H12A 109.0 . . ?
N3 C12 H12B 109.0 . . ?
C11 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
N3 C13 C14 113.7(3) . . ?
N3 C13 H13A 108.8 . . ?
C14 C13 H13A 108.8 . . ?
N3 C13 H13B 108.8 . . ?
C14 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
N1 C14 C15 122.0(5) . . ?
N1 C14 C13 115.6(4) . . ?
C15 C14 C13 122.3(4) . . ?
C16 C15 C14 119.6(5) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 118.8(6) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C18 C17 C16 118.8(6) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
N1 C18 C17 122.9(5) . . ?
N1 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
N3 C19 C20 111.5(3) . . ?
N3 C19 H19A 109.3 . . ?
C20 C19 H19A 109.3 . . ?
N3 C19 H19B 109.3 . . ?
C20 C19 H19B 109.3 . . ?
H19A C19 H19B 108.0 . . ?
N4 C20 C21 122.1(4) . . ?
N4 C20 C19 115.7(3) . . ?
C21 C20 C19 122.2(4) . . ?
C20 C21 C22 118.3(4) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 118.6(4) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
N4 C24 C23 122.2(3) . . ?
N4 C24 C25 117.6(3) . . ?
C23 C24 C25 120.0(3) . . ?
N5 C25 C24 114.9(3) . . ?
N5 C25 H25A 108.5 . . ?
C24 C25 H25A 108.5 . . ?
N5 C25 H25B 108.5 . . ?
C24 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
N5 C26 C27 110.7(3) . . ?
N5 C26 H26A 109.5 . . ?
C27 C26 H26A 109.5 . . ?
N5 C26 H26B 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
N7 C27 C28 122.1(4) . . ?
N7 C27 C26 116.4(4) . . ?
C28 C27 C26 121.5(4) . . ?
C29 C28 C27 118.4(5) . . ?
C29 C28 H28 120.8 . . ?
C27 C28 H28 120.8 . . ?
C84 C29 C28 120.5(5) . . ?
C84 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
N7 C30 C84 124.2(5) . . ?
N7 C30 H30 117.9 . . ?
C84 C30 H30 117.9 . . ?
O1 C31 C36 121.1(4) . . ?
O1 C31 C32 120.7(4) . . ?
C36 C31 C32 118.2(4) . . ?
C33 C32 C31 121.1(5) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C34 C33 C32 120.4(5) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 119.9(5) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C34 C35 C36 120.3(5) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 120.2(5) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C42 C37 C38 114.5(4) . . ?
C42 C37 B1 121.5(4) . . ?
C38 C37 B1 123.9(3) . . ?
C39 C38 C37 123.4(4) . . ?
C39 C38 H38 118.3 . . ?
C37 C38 H38 118.3 . . ?
C40 C39 C38 119.6(5) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C41 C40 C39 119.1(4) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C40 C41 C42 120.1(4) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 123.1(4) . . ?
C41 C42 H42 118.5 . . ?
C37 C42 H42 118.5 . . ?
C85 C43 C44 113.9(4) . . ?
C85 C43 B1 122.1(4) . . ?
C44 C43 B1 123.9(4) . . ?
C45 C44 C43 123.7(5) . . ?
C45 C44 H44 118.1 . . ?
C43 C44 H44 118.1 . . ?
C46 C45 C44 120.2(6) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 119.7(5) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C46 C47 C85 119.5(6) . . ?
C46 C47 H47 120.3 . . ?
C85 C47 H47 120.3 . . ?
C49 C48 C53 114.2(4) . . ?
C49 C48 B1 122.6(4) . . ?
C53 C48 B1 123.1(4) . . ?
C50 C49 C48 122.8(5) . . ?
C50 C49 H49 118.6 . . ?
C48 C49 H49 118.6 . . ?
C49 C50 C51 120.7(5) . . ?
C49 C50 H50 119.6 . . ?
C51 C50 H50 119.6 . . ?
C52 C51 C50 118.8(5) . . ?
C52 C51 H51 120.6 . . ?
C50 C51 H51 120.6 . . ?
C51 C52 C53 120.1(5) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C52 C53 C48 123.4(4) . . ?
C52 C53 H53 118.3 . . ?
C48 C53 H53 118.3 . . ?
C59 C54 C55 114.4(4) . . ?
C59 C54 B1 123.8(4) . . ?
C55 C54 B1 121.6(3) . . ?
C56 C55 C54 123.4(4) . . ?
C56 C55 H55 118.3 . . ?
C54 C55 H55 118.3 . . ?
C55 C56 C57 120.3(4) . . ?
C55 C56 H56 119.9 . . ?
C57 C56 H56 119.9 . . ?
C58 C57 C56 118.8(4) . . ?
C58 C57 H57 120.6 . . ?
C56 C57 H57 120.6 . . ?
C57 C58 C59 120.3(4) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 H58 119.8 . . ?
C58 C59 C54 122.8(4) . . ?
C58 C59 H59 118.6 . . ?
C54 C59 H59 118.6 . . ?
C61 C60 C65 113.6(4) . . ?
C61 C60 B2 123.7(4) . . ?
C65 C60 B2 122.7(4) . . ?
C62 C61 C60 123.3(5) . . ?
C62 C61 H61 118.3 . . ?
C60 C61 H61 118.3 . . ?
C61 C62 C63 120.3(6) . . ?
C61 C62 H62 119.9 . . ?
C63 C62 H62 119.9 . . ?
C64 C63 C62 118.4(5) . . ?
C64 C63 H63 120.8 . . ?
C62 C63 H63 120.8 . . ?
C63 C64 C65 121.1(5) . . ?
C63 C64 H64 119.5 . . ?
C65 C64 H64 119.5 . . ?
C64 C65 C60 123.4(5) . . ?
C64 C65 H65 118.3 . . ?
C60 C65 H65 118.3 . . ?
C67 C66 C71 114.6(5) . . ?
C67 C66 B2 122.9(4) . . ?
C71 C66 B2 122.5(5) . . ?
C66 C67 C68 123.9(6) . . ?
C66 C67 H67 118.0 . . ?
C68 C67 H67 118.0 . . ?
C69 C68 C67 119.3(7) . . ?
C69 C68 H68 120.3 . . ?
C67 C68 H68 120.3 . . ?
C68 C69 C70 120.2(7) . . ?
C68 C69 H69 119.9 . . ?
C70 C69 H69 119.9 . . ?
C69 C70 C71 119.1(7) . . ?
C69 C70 H70 120.5 . . ?
C71 C70 H70 120.5 . . ?
C66 C71 C70 122.8(7) . . ?
C66 C71 H71 118.6 . . ?
C70 C71 H71 118.6 . . ?
C73 C72 C77 114.5(4) . . ?
C73 C72 B2 124.0(4) . . ?
C77 C72 B2 121.2(4) . . ?
C74 C73 C72 122.6(5) . . ?
C74 C73 H73 118.7 . . ?
C72 C73 H73 118.7 . . ?
C75 C74 C73 120.7(5) . . ?
C75 C74 H74 119.6 . . ?
C73 C74 H74 119.6 . . ?
C74 C75 C76 119.5(5) . . ?
C74 C75 H75 120.2 . . ?
C76 C75 H75 120.2 . . ?
C75 C76 C77 119.8(5) . . ?
C75 C76 H76 120.1 . . ?
C77 C76 H76 120.1 . . ?
C72 C77 C76 122.8(5) . . ?
C72 C77 H77 118.6 . . ?
C76 C77 H77 118.6 . . ?
C83 C78 C79 113.8(4) . . ?
C83 C78 B2 124.1(4) . . ?
C79 C78 B2 121.9(4) . . ?
C80 C79 C78 123.1(5) . . ?
C80 C79 H79 118.5 . . ?
C78 C79 H79 118.5 . . ?
C81 C80 C79 120.0(5) . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C81 C82 119.8(5) . . ?
C80 C81 H81 120.1 . . ?
C82 C81 H81 120.1 . . ?
C81 C82 C83 120.2(5) . . ?
C81 C82 H82 119.9 . . ?
C83 C82 H82 119.9 . . ?
C82 C83 C78 123.1(5) . . ?
C82 C83 H83 118.5 . . ?
C78 C83 H83 118.5 . . ?
C29 C84 C30 118.0(5) . . ?
C29 C84 H84 121.0 . . ?
C30 C84 H84 121.0 . . ?
C47 C85 C43 122.9(5) . . ?
C47 C85 H85 118.5 . . ?
C43 C85 H85 118.5 . . ?
Cl2 C86 Cl1 116.7(6) . . ?
Cl2 C86 H86A 108.1 . . ?
Cl1 C86 H86A 108.1 . . ?
Cl2 C86 H86B 108.1 . . ?
Cl1 C86 H86B 108.1 . . ?
H86A C86 H86B 107.3 . . ?
Cl3 C87 Cl4 115.9(8) . . ?
Cl3 C87 H87A 108.3 . . ?
Cl4 C87 H87A 108.3 . . ?
Cl3 C87 H87B 108.3 . . ?
Cl4 C87 H87B 108.3 . . ?
H87A C87 H87B 107.4 . . ?

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
C26 N5 C1 C2 -165.1(3) . . . . ?
C25 N5 C1 C2 73.2(4) . . . . ?
Dy1 N5 C1 C2 -51.6(4) . . . . ?
C6 N6 C2 C3 -2.6(6) . . . . ?
Dy1 N6 C2 C3 168.0(3) . . . . ?
C6 N6 C2 C1 175.5(4) . . . . ?
Dy1 N6 C2 C1 -13.9(4) . . . . ?
N5 C1 C2 N6 46.2(5) . . . . ?
N5 C1 C2 C3 -135.7(4) . . . . ?
N6 C2 C3 C4 2.0(7) . . . . ?
C1 C2 C3 C4 -176.0(5) . . . . ?
C2 C3 C4 C5 -0.2(9) . . . . ?
C3 C4 C5 C6 -0.9(9) . . . . ?
C2 N6 C6 C5 1.5(7) . . . . ?
Dy1 N6 C6 C5 -168.4(4) . . . . ?
C4 C5 C6 N6 0.2(8) . . . . ?
C11 N2 C7 C8 -0.2(7) . . . . ?
Dy1 N2 C7 C8 -152.8(4) . . . . ?
N2 C7 C8 C9 2.9(8) . . . . ?
C7 C8 C9 C10 -3.0(8) . . . . ?
C8 C9 C10 C11 0.6(8) . . . . ?
C7 N2 C11 C10 -2.4(6) . . . . ?
Dy1 N2 C11 C10 150.6(4) . . . . ?
C7 N2 C11 C12 173.1(4) . . . . ?
Dy1 N2 C11 C12 -33.9(5) . . . . ?
C9 C10 C11 N2 2.2(7) . . . . ?
C9 C10 C11 C12 -173.1(5) . . . . ?
C13 N3 C12 C11 86.1(4) . . . . ?
C19 N3 C12 C11 -155.4(4) . . . . ?
Dy1 N3 C12 C11 -31.8(4) . . . . ?
N2 C11 C12 N3 44.6(5) . . . . ?
C10 C11 C12 N3 -139.9(4) . . . . ?
C19 N3 C13 C14 167.9(3) . . . . ?
C12 N3 C13 C14 -73.4(4) . . . . ?
Dy1 N3 C13 C14 48.6(4) . . . . ?
C18 N1 C14 C15 0.6(7) . . . . ?
Dy1 N1 C14 C15 -175.9(4) . . . . ?
C18 N1 C14 C13 -176.0(4) . . . . ?
Dy1 N1 C14 C13 7.6(5) . . . . ?
N3 C13 C14 N1 -40.5(5) . . . . ?
N3 C13 C14 C15 142.9(5) . . . . ?
N1 C14 C15 C16 -1.5(9) . . . . ?
C13 C14 C15 C16 174.9(6) . . . . ?
C14 C15 C16 C17 0.2(11) . . . . ?
C15 C16 C17 C18 1.8(11) . . . . ?
C14 N1 C18 C17 1.6(8) . . . . ?
Dy1 N1 C18 C17 177.9(5) . . . . ?
C16 C17 C18 N1 -2.8(10) . . . . ?
C13 N3 C19 C20 -79.0(4) . . . . ?
C12 N3 C19 C20 161.0(3) . . . . ?
Dy1 N3 C19 C20 36.7(4) . . . . ?
C24 N4 C20 C21 4.6(7) . . . . ?
Dy1 N4 C20 C21 -151.9(4) . . . . ?
C24 N4 C20 C19 -172.3(4) . . . . ?
Dy1 N4 C20 C19 31.2(5) . . . . ?
N3 C19 C20 N4 -45.8(6) . . . . ?
N3 C19 C20 C21 137.3(5) . . . . ?
N4 C20 C21 C22 -1.4(9) . . . . ?
C19 C20 C21 C22 175.3(6) . . . . ?
C20 C21 C22 C23 -2.9(10) . . . . ?
C21 C22 C23 C24 3.8(9) . . . . ?
C20 N4 C24 C23 -3.6(7) . . . . ?
Dy1 N4 C24 C23 153.4(4) . . . . ?
C20 N4 C24 C25 170.9(4) . . . . ?
Dy1 N4 C24 C25 -32.1(5) . . . . ?
C22 C23 C24 N4 -0.6(8) . . . . ?
C22 C23 C24 C25 -175.0(5) . . . . ?
C1 N5 C25 C24 -130.7(4) . . . . ?
C26 N5 C25 C24 108.0(4) . . . . ?
Dy1 N5 C25 C24 -10.9(5) . . . . ?
N4 C24 C25 N5 28.6(6) . . . . ?
C23 C24 C25 N5 -156.8(4) . . . . ?
C1 N5 C26 C27 168.7(3) . . . . ?
C25 N5 C26 C27 -69.5(4) . . . . ?
Dy1 N5 C26 C27 54.9(3) . . . . ?
C30 N7 C27 C28 -0.5(6) . . . . ?
Dy1 N7 C27 C28 175.6(3) . . . . ?
C30 N7 C27 C26 -178.9(4) . . . . ?
Dy1 N7 C27 C26 -2.7(5) . . . . ?
N5 C26 C27 N7 -36.6(5) . . . . ?
N5 C26 C27 C28 145.0(4) . . . . ?
N7 C27 C28 C29 -1.2(7) . . . . ?
C26 C27 C28 C29 177.1(5) . . . . ?
C27 C28 C29 C84 2.3(8) . . . . ?
C27 N7 C30 C84 1.2(7) . . . . ?
Dy1 N7 C30 C84 -174.4(4) . . . . ?
O1 C31 C32 C33 179.7(4) . . . . ?
C36 C31 C32 C33 -0.7(6) . . . . ?
C31 C32 C33 C34 -0.3(7) . . . . ?
C32 C33 C34 C35 0.7(8) . . . . ?
C33 C34 C35 C36 -0.2(8) . . . . ?
O1 C31 C36 C35 -179.2(4) . . . . ?
C32 C31 C36 C35 1.1(6) . . . . ?
C34 C35 C36 C31 -0.7(7) . . . . ?
C54 B1 C37 C42 -169.6(4) . . . . ?
C48 B1 C37 C42 -49.5(5) . . . . ?
C43 B1 C37 C42 69.5(5) . . . . ?
C54 B1 C37 C38 12.5(5) . . . . ?
C48 B1 C37 C38 132.6(4) . . . . ?
C43 B1 C37 C38 -108.4(4) . . . . ?
C42 C37 C38 C39 -3.6(6) . . . . ?
B1 C37 C38 C39 174.4(4) . . . . ?
C37 C38 C39 C40 0.5(7) . . . . ?
C38 C39 C40 C41 2.3(8) . . . . ?
C39 C40 C41 C42 -1.7(7) . . . . ?
C40 C41 C42 C37 -1.8(7) . . . . ?
C38 C37 C42 C41 4.3(6) . . . . ?
B1 C37 C42 C41 -173.8(4) . . . . ?
C54 B1 C43 C85 24.8(6) . . . . ?
C48 B1 C43 C85 -96.6(5) . . . . ?
C37 B1 C43 C85 143.5(4) . . . . ?
C54 B1 C43 C44 -158.3(4) . . . . ?
C48 B1 C43 C44 80.3(5) . . . . ?
C37 B1 C43 C44 -39.6(6) . . . . ?
C85 C43 C44 C45 -0.8(7) . . . . ?
B1 C43 C44 C45 -177.9(5) . . . . ?
C43 C44 C45 C46 -1.1(9) . . . . ?
C44 C45 C46 C47 2.1(10) . . . . ?
C45 C46 C47 C85 -1.2(10) . . . . ?
C54 B1 C48 C49 -91.9(5) . . . . ?
C43 B1 C48 C49 29.8(5) . . . . ?
C37 B1 C48 C49 149.8(4) . . . . ?
C54 B1 C48 C53 85.5(4) . . . . ?
C43 B1 C48 C53 -152.8(4) . . . . ?
C37 B1 C48 C53 -32.8(5) . . . . ?
C53 C48 C49 C50 -0.2(7) . . . . ?
B1 C48 C49 C50 177.4(4) . . . . ?
C48 C49 C50 C51 0.0(8) . . . . ?
C49 C50 C51 C52 -0.2(8) . . . . ?
C50 C51 C52 C53 0.7(7) . . . . ?
C51 C52 C53 C48 -1.0(7) . . . . ?
C49 C48 C53 C52 0.7(6) . . . . ?
B1 C48 C53 C52 -176.9(4) . . . . ?
C48 B1 C54 C59 -18.5(5) . . . . ?
C43 B1 C54 C59 -138.7(4) . . . . ?
C37 B1 C54 C59 101.1(4) . . . . ?
C48 B1 C54 C55 166.3(4) . . . . ?
C43 B1 C54 C55 46.2(5) . . . . ?
C37 B1 C54 C55 -74.0(5) . . . . ?
C59 C54 C55 C56 -0.6(6) . . . . ?
B1 C54 C55 C56 174.9(4) . . . . ?
C54 C55 C56 C57 0.3(7) . . . . ?
C55 C56 C57 C58 -0.2(7) . . . . ?
C56 C57 C58 C59 0.4(7) . . . . ?
C57 C58 C59 C54 -0.8(7) . . . . ?
C55 C54 C59 C58 0.9(6) . . . . ?
B1 C54 C59 C58 -174.6(4) . . . . ?
C78 B2 C60 C61 35.5(5) . . . . ?
C66 B2 C60 C61 155.1(4) . . . . ?
C72 B2 C60 C61 -82.0(5) . . . . ?
C78 B2 C60 C65 -146.5(4) . . . . ?
C66 B2 C60 C65 -27.0(5) . . . . ?
C72 B2 C60 C65 95.9(4) . . . . ?
C65 C60 C61 C62 1.1(7) . . . . ?
B2 C60 C61 C62 179.2(4) . . . . ?
C60 C61 C62 C63 -0.3(8) . . . . ?
C61 C62 C63 C64 -1.1(8) . . . . ?
C62 C63 C64 C65 1.6(7) . . . . ?
C63 C64 C65 C60 -0.8(7) . . . . ?
C61 C60 C65 C64 -0.5(6) . . . . ?
B2 C60 C65 C64 -178.7(4) . . . . ?
C60 B2 C66 C67 -96.8(5) . . . . ?
C78 B2 C66 C67 25.1(6) . . . . ?
C72 B2 C66 C67 142.0(4) . . . . ?
C60 B2 C66 C71 82.1(5) . . . . ?
C78 B2 C66 C71 -156.0(4) . . . . ?
C72 B2 C66 C71 -39.1(6) . . . . ?
C71 C66 C67 C68 1.8(8) . . . . ?
B2 C66 C67 C68 -179.2(5) . . . . ?
C66 C67 C68 C69 -0.2(9) . . . . ?
C67 C68 C69 C70 -1.6(10) . . . . ?
C68 C69 C70 C71 1.6(11) . . . . ?
C67 C66 C71 C70 -1.7(8) . . . . ?
B2 C66 C71 C70 179.3(5) . . . . ?
C69 C70 C71 C66 0.1(10) . . . . ?
C60 B2 C72 C73 -146.9(4) . . . . ?
C78 B2 C72 C73 92.0(5) . . . . ?
C66 B2 C72 C73 -25.9(6) . . . . ?
C60 B2 C72 C77 39.4(5) . . . . ?
C78 B2 C72 C77 -81.6(5) . . . . ?
C66 B2 C72 C77 160.5(4) . . . . ?
C77 C72 C73 C74 0.2(7) . . . . ?
B2 C72 C73 C74 -173.8(5) . . . . ?
C72 C73 C74 C75 -0.1(9) . . . . ?
C73 C74 C75 C76 0.8(9) . . . . ?
C74 C75 C76 C77 -1.6(8) . . . . ?
C73 C72 C77 C76 -1.1(6) . . . . ?
B2 C72 C77 C76 173.2(4) . . . . ?
C75 C76 C77 C72 1.8(7) . . . . ?
C60 B2 C78 C83 31.2(6) . . . . ?
C66 B2 C78 C83 -88.9(5) . . . . ?
C72 B2 C78 C83 150.6(4) . . . . ?
C60 B2 C78 C79 -153.6(4) . . . . ?
C66 B2 C78 C79 86.3(5) . . . . ?
C72 B2 C78 C79 -34.3(5) . . . . ?
C83 C78 C79 C80 0.0(7) . . . . ?
B2 C78 C79 C80 -175.6(5) . . . . ?
C78 C79 C80 C81 -1.5(8) . . . . ?
C79 C80 C81 C82 1.5(8) . . . . ?
C80 C81 C82 C83 -0.1(8) . . . . ?
C81 C82 C83 C78 -1.4(8) . . . . ?
C79 C78 C83 C82 1.4(7) . . . . ?
B2 C78 C83 C82 176.9(4) . . . . ?
C28 C29 C84 C30 -1.7(8) . . . . ?
N7 C30 C84 C29 -0.1(8) . . . . ?
C46 C47 C85 C43 -0.8(9) . . . . ?
C44 C43 C85 C47 1.7(7) . . . . ?
B1 C43 C85 C47 178.8(5) . . . . ?

_refine_diff_density_max         1.109
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.095




####################################################################### 
# 
# 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_1_sq_tw
_database_code_depnum_ccdc_archive 'CCDC 2212617'
loop_
_audit_author_name
_audit_author_address
'Lei Chen'
;Jiangsu University of Science and Technology
China
;
_audit_update_record             
;
2022-10-13 deposited with the CCDC.	2022-10-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C79 H71 B2 Cl Dy N7'
_chemical_formula_weight         1337.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   23.6641(7)
_cell_length_b                   14.1103(4)
_cell_length_c                   21.3612(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.266(2)
_cell_angle_gamma                90
_cell_volume                     7090.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2154
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      15.86

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             2748
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.139
_shelx_estimated_absorpt_T_min   0.839
_shelx_estimated_absorpt_T_max   0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8388
_exptl_absorpt_correction_T_max  0.8947
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13904
_diffrn_reflns_av_unetI/netI     0.1856
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.375
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             13904
_reflns_number_gt                6612
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 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. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0004P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13904
_refine_ls_number_parameters     812
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1654
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_ref         0.0842
_refine_ls_wR_factor_gt          0.0697
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.75244(2) 0.70087(2) 0.36358(2) 0.03571(9) Uani 1 1 d . . . . .
Cl1 Cl 0.73448(6) 0.75421(12) 0.47540(8) 0.0651(6) Uani 1 1 d . . . . .
N1 N 0.71953(17) 0.6770(3) 0.2500(2) 0.0406(15) Uani 1 1 d . . . . .
N2 N 0.83149(17) 0.6645(3) 0.2958(2) 0.0329(13) Uani 1 1 d . . . . .
N3 N 0.83531(18) 0.8140(4) 0.3811(2) 0.0391(14) Uani 1 1 d . . . . .
N4 N 0.82351(17) 0.5868(3) 0.4100(2) 0.0331(13) Uani 1 1 d . . . . .
N5 N 0.64587(17) 0.7077(4) 0.3421(2) 0.0442(14) Uani 1 1 d . . . . .
N6 N 0.6972(2) 0.5446(4) 0.3831(2) 0.0490(16) Uani 1 1 d . . . . .
N7 N 0.7180(2) 0.8570(4) 0.3140(2) 0.0478(15) Uani 1 1 d . . . . .
B1 B 0.9769(3) 0.7509(5) 0.6167(3) 0.036(2) Uani 1 1 d . . . . .
B2 B 0.4285(3) 0.7481(6) 0.3611(4) 0.056(3) Uani 1 1 d . . . . .
C1 C 0.8176(2) 0.6921(5) 0.2290(2) 0.0436(16) Uani 1 1 d . . . . .
H1A H 0.838911 0.652104 0.203045 0.052 Uiso 1 1 calc R U . . .
H1B H 0.829722 0.757009 0.223666 0.052 Uiso 1 1 calc R U . . .
C2 C 0.7560(2) 0.6844(5) 0.2061(3) 0.0402(17) Uani 1 1 d . . . . .
C3 C 0.7383(2) 0.6938(5) 0.1424(3) 0.0551(18) Uani 1 1 d . . . . .
H3 H 0.764535 0.697705 0.113129 0.066 Uiso 1 1 calc R U . . .
C4 C 0.6816(2) 0.6973(6) 0.1237(3) 0.069(2) Uani 1 1 d . . . . .
H4 H 0.668699 0.704288 0.081279 0.083 Uiso 1 1 calc R U . . .
C5 C 0.6431(2) 0.6903(6) 0.1679(3) 0.065(2) Uani 1 1 d . . . . .
H5 H 0.604223 0.692852 0.155437 0.078 Uiso 1 1 calc R U . . .
C6 C 0.6632(2) 0.6794(5) 0.2307(3) 0.048(2) Uani 1 1 d . . . . .
C7 C 0.6235(2) 0.6665(5) 0.2794(3) 0.060(2) Uani 1 1 d . . . . .
H7A H 0.616528 0.599332 0.284436 0.072 Uiso 1 1 calc R U . . .
H7B H 0.587483 0.696362 0.265000 0.072 Uiso 1 1 calc R U . . .
C8 C 0.8866(2) 0.7074(5) 0.3189(3) 0.0431(17) Uani 1 1 d . . . . .
H8A H 0.910166 0.711332 0.284584 0.052 Uiso 1 1 calc R U . . .
H8B H 0.905913 0.667505 0.351442 0.052 Uiso 1 1 calc R U . . .
C9 C 0.8789(2) 0.8048(6) 0.3450(3) 0.0390(16) Uani 1 1 d . . . . .
C10 C 0.9147(3) 0.8790(5) 0.3364(3) 0.052(2) Uani 1 1 d . . . . .
H10 H 0.942738 0.872590 0.309487 0.062 Uiso 1 1 calc R U . . .
C11 C 0.9090(3) 0.9618(5) 0.3674(4) 0.068(2) Uani 1 1 d . . . . .
H11 H 0.933785 1.011610 0.362422 0.081 Uiso 1 1 calc R U . . .
C12 C 0.8668(3) 0.9722(6) 0.4060(3) 0.066(2) Uani 1 1 d . . . . .
H12 H 0.862438 1.028689 0.427372 0.080 Uiso 1 1 calc R U . . .
C13 C 0.8309(3) 0.8964(6) 0.4120(3) 0.054(2) Uani 1 1 d . . . . .
H13 H 0.802557 0.902418 0.438662 0.064 Uiso 1 1 calc R U . . .
C14 C 0.8356(2) 0.5606(5) 0.3010(3) 0.0460(19) Uani 1 1 d . . . . .
H14A H 0.866124 0.538272 0.277957 0.055 Uiso 1 1 calc R U . . .
H14B H 0.800416 0.532305 0.282242 0.055 Uiso 1 1 calc R U . . .
C15 C 0.8468(2) 0.5302(5) 0.3688(3) 0.0373(17) Uani 1 1 d . . . . .
C16 C 0.8776(2) 0.4502(5) 0.3873(4) 0.052(2) Uani 1 1 d . . . . .
H16 H 0.893039 0.413027 0.357546 0.062 Uiso 1 1 calc R U . . .
C17 C 0.8854(3) 0.4255(5) 0.4502(4) 0.058(2) Uani 1 1 d . . . . .
H17 H 0.905192 0.370826 0.463414 0.070 Uiso 1 1 calc R U . . .
C18 C 0.8635(3) 0.4832(5) 0.4923(3) 0.056(2) Uani 1 1 d . . . . .
H18 H 0.869150 0.469477 0.535086 0.068 Uiso 1 1 calc R U . . .
C19 C 0.8330(2) 0.5619(5) 0.4712(3) 0.050(2) Uani 1 1 d . . . . .
H19 H 0.818090 0.600153 0.500824 0.060 Uiso 1 1 calc R U . . .
C20 C 0.6201(2) 0.6525(5) 0.3912(3) 0.055(2) Uani 1 1 d . . . . .
H20A H 0.579177 0.650527 0.381067 0.065 Uiso 1 1 calc R U . . .
H20B H 0.628345 0.683554 0.431681 0.065 Uiso 1 1 calc R U . . .
C21 C 0.6430(3) 0.5538(6) 0.3952(3) 0.051(2) Uani 1 1 d . . . . .
C22 C 0.6115(3) 0.4782(7) 0.4120(4) 0.077(3) Uani 1 1 d . . . . .
H22 H 0.574509 0.488326 0.421506 0.093 Uiso 1 1 calc R U . . .
C23 C 0.6333(4) 0.3881(7) 0.4149(4) 0.098(3) Uani 1 1 d . . . . .
H23 H 0.611334 0.336730 0.424878 0.118 Uiso 1 1 calc R U . . .
C24 C 0.6882(3) 0.3765(6) 0.4027(4) 0.085(3) Uani 1 1 d . . . . .
H24 H 0.705286 0.317087 0.404974 0.102 Uiso 1 1 calc R U . . .
C25 C 0.7179(3) 0.4562(6) 0.3868(3) 0.065(2) Uani 1 1 d . . . . .
H25 H 0.755147 0.447459 0.377939 0.078 Uiso 1 1 calc R U . . .
C26 C 0.6292(2) 0.8087(6) 0.3479(3) 0.064(2) Uani 1 1 d . . . . .
H26A H 0.588730 0.815233 0.335292 0.077 Uiso 1 1 calc R U . . .
H26B H 0.636499 0.828224 0.391605 0.077 Uiso 1 1 calc R U . . .
C27 C 0.6609(3) 0.8716(6) 0.3083(3) 0.054(2) Uani 1 1 d . . . . .
C28 C 0.6348(3) 0.9446(6) 0.2733(4) 0.086(3) Uani 1 1 d . . . . .
H28 H 0.595799 0.954093 0.272136 0.103 Uiso 1 1 calc R U . . .
C29 C 0.6671(4) 1.0030(6) 0.2401(4) 0.098(3) Uani 1 1 d . . . . .
H29 H 0.649937 1.050770 0.214775 0.118 Uiso 1 1 calc R U . . .
C30 C 0.7247(3) 0.9903(6) 0.2447(3) 0.078(3) Uani 1 1 d . . . . .
H30 H 0.747608 1.030409 0.223912 0.094 Uiso 1 1 calc R U . . .
C31 C 0.7476(3) 0.9166(5) 0.2808(3) 0.053(2) Uani 1 1 d . . . . .
H31 H 0.786608 0.907040 0.282447 0.064 Uiso 1 1 calc R U . . .
C32 C 0.9430(2) 0.8513(4) 0.6238(3) 0.0324(16) Uani 1 1 d . . . . .
C33 C 0.9567(2) 0.9164(5) 0.6727(3) 0.0380(17) Uani 1 1 d . . . . .
H33 H 0.987275 0.902696 0.702520 0.046 Uiso 1 1 calc R U . . .
C34 C 0.9272(3) 0.9997(5) 0.6789(3) 0.0437(18) Uani 1 1 d . . . . .
H34 H 0.938311 1.040360 0.712329 0.052 Uiso 1 1 calc R U . . .
C35 C 0.8817(3) 1.0232(5) 0.6362(4) 0.056(2) Uani 1 1 d . . . . .
H35 H 0.862041 1.079585 0.640042 0.067 Uiso 1 1 calc R U . . .
C36 C 0.8658(3) 0.9615(5) 0.5877(3) 0.055(2) Uani 1 1 d . . . . .
H36 H 0.834479 0.975481 0.558978 0.066 Uiso 1 1 calc R U . . .
C37 C 0.8960(3) 0.8784(5) 0.5813(3) 0.0506(19) Uani 1 1 d . . . . .
H37 H 0.884640 0.838723 0.547472 0.061 Uiso 1 1 calc R U . . .
C38 C 0.9392(2) 0.6613(4) 0.6384(3) 0.0342(16) Uani 1 1 d . . . . .
C39 C 0.9625(3) 0.5778(5) 0.6640(3) 0.0459(18) Uani 1 1 d . . . . .
H39 H 1.001959 0.572955 0.670070 0.055 Uiso 1 1 calc R U . . .
C40 C 0.9308(3) 0.5010(5) 0.6810(3) 0.058(2) Uani 1 1 d . . . . .
H40 H 0.949550 0.447887 0.698693 0.069 Uiso 1 1 calc R U . . .
C41 C 0.8727(3) 0.5018(5) 0.6725(3) 0.055(2) Uani 1 1 d . . . . .
H41 H 0.851296 0.450424 0.683722 0.067 Uiso 1 1 calc R U . . .
C42 C 0.8475(3) 0.5829(6) 0.6463(3) 0.057(2) Uani 1 1 d . . . . .
H42 H 0.808070 0.586100 0.639690 0.069 Uiso 1 1 calc R U . . .
C43 C 0.8794(2) 0.6605(4) 0.6295(3) 0.0425(17) Uani 1 1 d . . . . .
H43 H 0.860447 0.713368 0.611721 0.051 Uiso 1 1 calc R U . . .
C44 C 0.9866(2) 0.7373(5) 0.5428(3) 0.0388(18) Uani 1 1 d . . . . .
C45 C 1.0067(2) 0.8107(6) 0.5062(3) 0.058(2) Uani 1 1 d . . . . .
H45 H 1.010343 0.871025 0.523670 0.070 Uiso 1 1 calc R U . . .
C46 C 1.0212(2) 0.7979(7) 0.4458(3) 0.062(2) Uani 1 1 d . . . . .
H46 H 1.034467 0.849001 0.424076 0.074 Uiso 1 1 calc R U . . .
C47 C 1.0162(3) 0.7123(7) 0.4181(3) 0.059(2) Uani 1 1 d . . . . .
H47 H 1.027097 0.703557 0.377990 0.071 Uiso 1 1 calc R U . . .
C48 C 0.9949(3) 0.6377(6) 0.4499(3) 0.058(2) Uani 1 1 d . . . . .
H48 H 0.989963 0.578723 0.430673 0.070 Uiso 1 1 calc R U . . .
C49 C 0.9807(2) 0.6509(5) 0.5105(3) 0.0429(18) Uani 1 1 d . . . . .
H49 H 0.966500 0.599340 0.531003 0.052 Uiso 1 1 calc R U . . .
C50 C 1.0386(2) 0.7561(4) 0.6598(3) 0.0360(16) Uani 1 1 d . . . . .
C51 C 1.0440(2) 0.7396(4) 0.7249(3) 0.0470(18) Uani 1 1 d . . . . .
H51 H 1.011557 0.723253 0.743413 0.056 Uiso 1 1 calc R U . . .
C52 C 1.0952(3) 0.7465(4) 0.7631(3) 0.055(2) Uani 1 1 d . . . . .
H52 H 1.095877 0.736029 0.806161 0.066 Uiso 1 1 calc R U . . .
C53 C 1.1448(3) 0.7684(4) 0.7383(4) 0.063(2) Uani 1 1 d . . . . .
H53 H 1.179406 0.770489 0.763579 0.075 Uiso 1 1 calc R U . . .
C54 C 1.1413(3) 0.7877(5) 0.6732(4) 0.062(2) Uani 1 1 d . . . . .
H54 H 1.173586 0.805535 0.654997 0.074 Uiso 1 1 calc R U . . .
C55 C 1.0891(2) 0.7799(4) 0.6363(3) 0.0462(18) Uani 1 1 d . . . . .
H55 H 1.088138 0.791293 0.593350 0.055 Uiso 1 1 calc R U . . .
C56 C 0.4062(3) 0.6477(6) 0.3882(3) 0.056(2) Uani 1 1 d . . . . .
C57 C 0.3514(3) 0.6338(6) 0.4028(3) 0.079(3) Uani 1 1 d . . . . .
H57 H 0.327111 0.685814 0.398660 0.094 Uiso 1 1 calc R U . . .
C58 C 0.3288(4) 0.5489(8) 0.4233(4) 0.099(3) Uani 1 1 d . U . . .
H58 H 0.290909 0.543821 0.430557 0.119 Uiso 1 1 calc R U . . .
C59 C 0.3656(5) 0.4734(8) 0.4320(4) 0.111(4) Uani 1 1 d . U . . .
H59 H 0.352843 0.416714 0.447629 0.134 Uiso 1 1 calc R U . . .
C60 C 0.4209(5) 0.4797(7) 0.4182(4) 0.109(4) Uani 1 1 d . . . . .
H60 H 0.444809 0.427299 0.422078 0.131 Uiso 1 1 calc R U . . .
C61 C 0.4401(3) 0.5670(8) 0.3981(4) 0.085(3) Uani 1 1 d . . . . .
H61 H 0.477990 0.571619 0.390798 0.102 Uiso 1 1 calc R U . . .
C62 C 0.4765(2) 0.7969(7) 0.4117(3) 0.0509(18) Uani 1 1 d . . . . .
C63 C 0.5037(3) 0.7506(5) 0.4644(3) 0.067(2) Uani 1 1 d . . . . .
H63 H 0.493441 0.688421 0.472194 0.080 Uiso 1 1 calc R U . . .
C64 C 0.5457(3) 0.7938(8) 0.5058(3) 0.077(2) Uani 1 1 d . . . . .
H64 H 0.562659 0.759814 0.540157 0.093 Uiso 1 1 calc R U . . .
C65 C 0.5622(3) 0.8844(8) 0.4968(4) 0.084(3) Uani 1 1 d . . . . .
H65 H 0.590812 0.912208 0.523973 0.101 Uiso 1 1 calc R U . . .
C66 C 0.5360(3) 0.9337(6) 0.4474(4) 0.081(3) Uani 1 1 d . . . . .
H66 H 0.546028 0.996473 0.441241 0.098 Uiso 1 1 calc R U . . .
C67 C 0.4943(3) 0.8908(6) 0.4058(4) 0.068(2) Uani 1 1 d . . . . .
H67 H 0.477356 0.926525 0.372285 0.081 Uiso 1 1 calc R U . . .
C68 C 0.4548(3) 0.7330(7) 0.2937(4) 0.065(3) Uani 1 1 d . . . . .
C69 C 0.4602(3) 0.6473(7) 0.2636(4) 0.089(3) Uani 1 1 d . . . . .
H69 H 0.452250 0.592267 0.284964 0.106 Uiso 1 1 calc R U . . .
C70 C 0.4770(3) 0.6382(8) 0.2019(5) 0.100(3) Uani 1 1 d . U . . .
H70 H 0.480633 0.579291 0.183232 0.120 Uiso 1 1 calc R U . . .
C71 C 0.4873(3) 0.7185(9) 0.1723(5) 0.096(3) Uani 1 1 d . U . . .
H71 H 0.495905 0.713433 0.130933 0.115 Uiso 1 1 calc R U . . .
C72 C 0.4864(3) 0.8071(9) 0.1972(5) 0.112(4) Uani 1 1 d . . . . .
H72 H 0.496693 0.860896 0.175972 0.134 Uiso 1 1 calc R U . . .
C73 C 0.4684(3) 0.8105(8) 0.2588(4) 0.101(3) Uani 1 1 d . . . . .
H73 H 0.465606 0.869926 0.276984 0.121 Uiso 1 1 calc R U . . .
C74 C 0.3734(3) 0.8197(6) 0.3475(3) 0.059(2) Uani 1 1 d . . . . .
C75 C 0.3579(3) 0.8850(6) 0.3923(4) 0.078(3) Uani 1 1 d . . . . .
H75 H 0.381802 0.892376 0.429506 0.093 Uiso 1 1 calc R U . . .
C76 C 0.3093(4) 0.9383(7) 0.3838(5) 0.108(3) Uani 1 1 d . . . . .
H76 H 0.299965 0.979177 0.415185 0.129 Uiso 1 1 calc R U . . .
C77 C 0.2743(4) 0.9304(7) 0.3280(5) 0.095(3) Uani 1 1 d . . . . .
H77 H 0.243011 0.970379 0.320542 0.114 Uiso 1 1 calc R U . . .
C78 C 0.2846(4) 0.8651(7) 0.2833(4) 0.096(3) Uani 1 1 d . U . . .
H78 H 0.258589 0.855541 0.248026 0.115 Uiso 1 1 calc R U . . .
C79 C 0.3359(3) 0.8120(7) 0.2920(3) 0.087(3) Uani 1 1 d . . . . .
H79 H 0.344860 0.771367 0.260260 0.105 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 N4 2.458(5) . ?
Dy1 N1 2.489(4) . ?
Dy1 N5 2.515(4) . ?
Dy1 N3 2.525(5) . ?
Dy1 N2 2.539(4) . ?
Dy1 N7 2.541(5) . ?
Dy1 Cl1 2.5835(16) . ?
Dy1 N6 2.619(5) . ?
N1 C2 1.346(6) . ?
N1 C6 1.351(6) . ?
N2 C8 1.472(6) . ?
N2 C14 1.473(7) . ?
N2 C1 1.483(6) . ?
N3 C13 1.346(7) . ?
N3 C9 1.360(6) . ?
N4 C15 1.348(7) . ?
N4 C19 1.350(7) . ?
N5 C26 1.488(8) . ?
N5 C20 1.488(7) . ?
N5 C7 1.504(7) . ?
N6 C25 1.339(8) . ?
N6 C21 1.342(7) . ?
N7 C31 1.344(7) . ?
N7 C27 1.358(7) . ?
B1 C44 1.632(8) . ?
B1 C50 1.640(8) . ?
B1 C32 1.642(8) . ?
B1 C38 1.643(8) . ?
B2 C62 1.632(9) . ?
B2 C56 1.639(10) . ?
B2 C68 1.645(10) . ?
B2 C74 1.650(9) . ?
C1 C2 1.489(6) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.387(7) . ?
C3 C4 1.356(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.382(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.488(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.502(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.371(8) . ?
C10 C11 1.356(8) . ?
C10 H10 0.9300 . ?
C11 C12 1.369(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(8) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.507(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.377(8) . ?
C16 C17 1.381(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.355(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.374(8) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.493(8) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.372(9) . ?
C22 C23 1.371(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.364(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.386(9) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.485(8) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.379(8) . ?
C28 C29 1.372(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.368(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.370(8) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.403(7) . ?
C32 C37 1.411(7) . ?
C33 C34 1.382(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.375(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.374(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.388(8) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 C39 1.387(7) . ?
C38 C43 1.407(7) . ?
C39 C40 1.390(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.368(8) . ?
C40 H40 0.9300 . ?
C41 C42 1.380(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.399(8) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 C49 1.401(7) . ?
C44 C45 1.410(8) . ?
C45 C46 1.383(8) . ?
C45 H45 0.9300 . ?
C46 C47 1.343(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.378(9) . ?
C47 H47 0.9300 . ?
C48 C49 1.385(7) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 C55 1.386(6) . ?
C50 C51 1.402(7) . ?
C51 C52 1.388(7) . ?
C51 H51 0.9300 . ?
C52 C53 1.376(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.411(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.395(7) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C57 1.380(8) . ?
C56 C61 1.396(9) . ?
C57 C58 1.401(10) . ?
C57 H57 0.9300 . ?
C58 C59 1.376(11) . ?
C58 H58 0.9300 . ?
C59 C60 1.374(11) . ?
C59 H59 0.9300 . ?
C60 C61 1.396(10) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C62 C63 1.396(8) . ?
C62 C67 1.401(9) . ?
C63 C64 1.396(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.357(10) . ?
C64 H64 0.9300 . ?
C65 C66 1.355(9) . ?
C65 H65 0.9300 . ?
C66 C67 1.392(9) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C68 C69 1.381(9) . ?
C68 C73 1.381(11) . ?
C69 C70 1.425(10) . ?
C69 H69 0.9300 . ?
C70 C71 1.333(11) . ?
C70 H70 0.9300 . ?
C71 C72 1.361(12) . ?
C71 H71 0.9300 . ?
C72 C73 1.427(10) . ?
C72 H72 0.9300 . ?
C73 H73 0.9300 . ?
C74 C75 1.404(9) . ?
C74 C79 1.406(8) . ?
C75 C76 1.370(9) . ?
C75 H75 0.9300 . ?
C76 C77 1.380(10) . ?
C76 H76 0.9300 . ?
C77 C78 1.367(10) . ?
C77 H77 0.9300 . ?
C78 C79 1.421(9) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?

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
N4 Dy1 N1 115.58(16) . . ?
N4 Dy1 N5 136.64(17) . . ?
N1 Dy1 N5 68.09(15) . . ?
N4 Dy1 N3 82.42(15) . . ?
N1 Dy1 N3 112.69(15) . . ?
N5 Dy1 N3 138.59(19) . . ?
N4 Dy1 N2 65.36(16) . . ?
N1 Dy1 N2 65.72(14) . . ?
N5 Dy1 N2 133.66(15) . . ?
N3 Dy1 N2 66.64(16) . . ?
N4 Dy1 N7 155.61(15) . . ?
N1 Dy1 N7 70.06(15) . . ?
N5 Dy1 N7 67.74(18) . . ?
N3 Dy1 N7 73.87(16) . . ?
N2 Dy1 N7 99.22(16) . . ?
N4 Dy1 Cl1 89.57(12) . . ?
N1 Dy1 Cl1 151.08(10) . . ?
N5 Dy1 Cl1 83.94(12) . . ?
N3 Dy1 Cl1 83.23(12) . . ?
N2 Dy1 Cl1 142.32(11) . . ?
N7 Dy1 Cl1 93.17(12) . . ?
N4 Dy1 N6 73.48(16) . . ?
N1 Dy1 N6 86.13(16) . . ?
N5 Dy1 N6 63.49(18) . . ?
N3 Dy1 N6 154.35(16) . . ?
N2 Dy1 N6 109.39(16) . . ?
N7 Dy1 N6 130.81(16) . . ?
Cl1 Dy1 N6 87.88(12) . . ?
C2 N1 C6 118.1(5) . . ?
C2 N1 Dy1 120.8(4) . . ?
C6 N1 Dy1 119.2(4) . . ?
C8 N2 C14 109.6(5) . . ?
C8 N2 C1 108.1(4) . . ?
C14 N2 C1 109.8(5) . . ?
C8 N2 Dy1 114.0(3) . . ?
C14 N2 Dy1 101.8(3) . . ?
C1 N2 Dy1 113.3(3) . . ?
C13 N3 C9 117.6(6) . . ?
C13 N3 Dy1 121.2(4) . . ?
C9 N3 Dy1 118.7(4) . . ?
C15 N4 C19 116.2(6) . . ?
C15 N4 Dy1 115.8(4) . . ?
C19 N4 Dy1 126.6(4) . . ?
C26 N5 C20 108.1(5) . . ?
C26 N5 C7 111.9(5) . . ?
C20 N5 C7 107.1(5) . . ?
C26 N5 Dy1 107.0(4) . . ?
C20 N5 Dy1 109.3(3) . . ?
C7 N5 Dy1 113.3(3) . . ?
C25 N6 C21 115.4(6) . . ?
C25 N6 Dy1 127.5(4) . . ?
C21 N6 Dy1 116.9(5) . . ?
C31 N7 C27 115.4(6) . . ?
C31 N7 Dy1 126.9(4) . . ?
C27 N7 Dy1 116.0(5) . . ?
C44 B1 C50 109.7(4) . . ?
C44 B1 C32 108.2(5) . . ?
C50 B1 C32 108.9(5) . . ?
C44 B1 C38 108.7(5) . . ?
C50 B1 C38 110.7(5) . . ?
C32 B1 C38 110.6(4) . . ?
C62 B2 C56 111.0(6) . . ?
C62 B2 C68 109.3(5) . . ?
C56 B2 C68 111.4(7) . . ?
C62 B2 C74 109.7(6) . . ?
C56 B2 C74 108.2(6) . . ?
C68 B2 C74 107.0(6) . . ?
N2 C1 C2 113.7(4) . . ?
N2 C1 H1A 108.8 . . ?
C2 C1 H1A 108.8 . . ?
N2 C1 H1B 108.8 . . ?
C2 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
N1 C2 C3 122.9(5) . . ?
N1 C2 C1 117.2(5) . . ?
C3 C2 C1 119.7(5) . . ?
C4 C3 C2 118.4(5) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C5 120.0(6) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.1(5) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
N1 C6 C5 121.6(5) . . ?
N1 C6 C7 117.4(5) . . ?
C5 C6 C7 121.0(5) . . ?
C6 C7 N5 112.8(5) . . ?
C6 C7 H7A 109.0 . . ?
N5 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
N5 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
N2 C8 C9 111.2(5) . . ?
N2 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
N3 C9 C10 121.4(7) . . ?
N3 C9 C8 115.3(6) . . ?
C10 C9 C8 123.2(5) . . ?
C11 C10 C9 119.8(7) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C12 120.3(7) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 117.9(7) . . ?
C11 C12 H12 121.0 . . ?
C13 C12 H12 121.0 . . ?
N3 C13 C12 122.8(7) . . ?
N3 C13 H13 118.6 . . ?
C12 C13 H13 118.6 . . ?
N2 C14 C15 111.0(5) . . ?
N2 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
N2 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
N4 C15 C16 122.6(6) . . ?
N4 C15 C14 114.6(6) . . ?
C16 C15 C14 122.7(6) . . ?
C15 C16 C17 119.8(7) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 118.2(7) . . ?
C18 C17 H17 120.9 . . ?
C16 C17 H17 120.9 . . ?
C17 C18 C19 119.6(7) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
N4 C19 C18 123.6(6) . . ?
N4 C19 H19 118.2 . . ?
C18 C19 H19 118.2 . . ?
N5 C20 C21 110.8(5) . . ?
N5 C20 H20A 109.5 . . ?
C21 C20 H20A 109.5 . . ?
N5 C20 H20B 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
N6 C21 C22 122.3(8) . . ?
N6 C21 C20 115.3(6) . . ?
C22 C21 C20 122.4(7) . . ?
C23 C22 C21 121.3(8) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C24 C23 C22 117.7(8) . . ?
C24 C23 H23 121.2 . . ?
C22 C23 H23 121.2 . . ?
C23 C24 C25 117.9(8) . . ?
C23 C24 H24 121.0 . . ?
C25 C24 H24 121.0 . . ?
N6 C25 C24 125.3(7) . . ?
N6 C25 H25 117.3 . . ?
C24 C25 H25 117.3 . . ?
C27 C26 N5 111.7(5) . . ?
C27 C26 H26A 109.3 . . ?
N5 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
N5 C26 H26B 109.3 . . ?
H26A C26 H26B 107.9 . . ?
N7 C27 C28 122.9(7) . . ?
N7 C27 C26 114.8(6) . . ?
C28 C27 C26 122.0(7) . . ?
C29 C28 C27 119.1(7) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C30 C29 C28 119.4(8) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C31 118.0(7) . . ?
C29 C30 H30 121.0 . . ?
C31 C30 H30 121.0 . . ?
N7 C31 C30 125.0(6) . . ?
N7 C31 H31 117.5 . . ?
C30 C31 H31 117.5 . . ?
C33 C32 C37 113.8(6) . . ?
C33 C32 B1 123.9(5) . . ?
C37 C32 B1 122.3(6) . . ?
C34 C33 C32 123.5(6) . . ?
C34 C33 H33 118.3 . . ?
C32 C33 H33 118.3 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C36 C35 C34 118.6(7) . . ?
C36 C35 H35 120.7 . . ?
C34 C35 H35 120.7 . . ?
C35 C36 C37 120.5(7) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C32 123.0(6) . . ?
C36 C37 H37 118.5 . . ?
C32 C37 H37 118.5 . . ?
C39 C38 C43 113.4(5) . . ?
C39 C38 B1 124.0(5) . . ?
C43 C38 B1 122.5(5) . . ?
C38 C39 C40 124.2(6) . . ?
C38 C39 H39 117.9 . . ?
C40 C39 H39 117.9 . . ?
C41 C40 C39 121.6(7) . . ?
C41 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
C40 C41 C42 116.3(6) . . ?
C40 C41 H41 121.8 . . ?
C42 C41 H41 121.8 . . ?
C41 C42 C43 122.2(6) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 H42 118.9 . . ?
C42 C43 C38 122.3(6) . . ?
C42 C43 H43 118.9 . . ?
C38 C43 H43 118.9 . . ?
C49 C44 C45 112.9(6) . . ?
C49 C44 B1 124.1(6) . . ?
C45 C44 B1 122.8(6) . . ?
C46 C45 C44 123.7(8) . . ?
C46 C45 H45 118.2 . . ?
C44 C45 H45 118.2 . . ?
C47 C46 C45 120.6(8) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C46 C47 C48 119.3(7) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
C47 C48 C49 119.8(7) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 H48 120.1 . . ?
C48 C49 C44 123.7(7) . . ?
C48 C49 H49 118.2 . . ?
C44 C49 H49 118.2 . . ?
C55 C50 C51 114.2(5) . . ?
C55 C50 B1 123.9(6) . . ?
C51 C50 B1 121.9(5) . . ?
C52 C51 C50 123.4(6) . . ?
C52 C51 H51 118.3 . . ?
C50 C51 H51 118.3 . . ?
C53 C52 C51 121.1(6) . . ?
C53 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C52 C53 C54 117.4(6) . . ?
C52 C53 H53 121.3 . . ?
C54 C53 H53 121.3 . . ?
C55 C54 C53 119.7(6) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C50 C55 C54 124.1(6) . . ?
C50 C55 H55 118.0 . . ?
C54 C55 H55 118.0 . . ?
C57 C56 C61 112.8(8) . . ?
C57 C56 B2 123.3(7) . . ?
C61 C56 B2 123.8(7) . . ?
C56 C57 C58 126.3(8) . . ?
C56 C57 H57 116.9 . . ?
C58 C57 H57 116.9 . . ?
C59 C58 C57 116.6(9) . . ?
C59 C58 H58 121.7 . . ?
C57 C58 H58 121.7 . . ?
C60 C59 C58 121.6(10) . . ?
C60 C59 H59 119.2 . . ?
C58 C59 H59 119.2 . . ?
C59 C60 C61 118.2(10) . . ?
C59 C60 H60 120.9 . . ?
C61 C60 H60 120.9 . . ?
C60 C61 C56 124.4(9) . . ?
C60 C61 H61 117.8 . . ?
C56 C61 H61 117.8 . . ?
C63 C62 C67 113.5(7) . . ?
C63 C62 B2 124.2(8) . . ?
C67 C62 B2 122.3(7) . . ?
C64 C63 C62 122.7(8) . . ?
C64 C63 H63 118.7 . . ?
C62 C63 H63 118.7 . . ?
C65 C64 C63 121.1(8) . . ?
C65 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
C66 C65 C64 118.7(9) . . ?
C66 C65 H65 120.6 . . ?
C64 C65 H65 120.6 . . ?
C65 C66 C67 120.4(9) . . ?
C65 C66 H66 119.8 . . ?
C67 C66 H66 119.8 . . ?
C66 C67 C62 123.6(8) . . ?
C66 C67 H67 118.2 . . ?
C62 C67 H67 118.2 . . ?
C69 C68 C73 113.8(8) . . ?
C69 C68 B2 125.7(8) . . ?
C73 C68 B2 120.2(9) . . ?
C68 C69 C70 124.0(9) . . ?
C68 C69 H69 118.0 . . ?
C70 C69 H69 118.0 . . ?
C71 C70 C69 116.6(10) . . ?
C71 C70 H70 121.7 . . ?
C69 C70 H70 121.7 . . ?
C70 C71 C72 125.7(11) . . ?
C70 C71 H71 117.2 . . ?
C72 C71 H71 117.2 . . ?
C71 C72 C73 114.2(11) . . ?
C71 C72 H72 122.9 . . ?
C73 C72 H72 122.9 . . ?
C68 C73 C72 125.6(11) . . ?
C68 C73 H73 117.2 . . ?
C72 C73 H73 117.2 . . ?
C75 C74 C79 115.9(7) . . ?
C75 C74 B2 122.8(7) . . ?
C79 C74 B2 121.0(7) . . ?
C76 C75 C74 123.2(8) . . ?
C76 C75 H75 118.4 . . ?
C74 C75 H75 118.4 . . ?
C75 C76 C77 119.2(9) . . ?
C75 C76 H76 120.4 . . ?
C77 C76 H76 120.4 . . ?
C78 C77 C76 121.3(9) . . ?
C78 C77 H77 119.3 . . ?
C76 C77 H77 119.3 . . ?
C77 C78 C79 118.7(8) . . ?
C77 C78 H78 120.7 . . ?
C79 C78 H78 120.7 . . ?
C74 C79 C78 121.4(8) . . ?
C74 C79 H79 119.3 . . ?
C78 C79 H79 119.3 . . ?

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
C8 N2 C1 C2 -159.2(5) . . . . ?
C14 N2 C1 C2 81.3(6) . . . . ?
Dy1 N2 C1 C2 -31.9(6) . . . . ?
C6 N1 C2 C3 -0.4(10) . . . . ?
Dy1 N1 C2 C3 -164.5(5) . . . . ?
C6 N1 C2 C1 173.5(6) . . . . ?
Dy1 N1 C2 C1 9.4(8) . . . . ?
N2 C1 C2 N1 15.7(8) . . . . ?
N2 C1 C2 C3 -170.1(6) . . . . ?
N1 C2 C3 C4 1.1(11) . . . . ?
C1 C2 C3 C4 -172.7(7) . . . . ?
C2 C3 C4 C5 -0.7(12) . . . . ?
C3 C4 C5 C6 -0.3(13) . . . . ?
C2 N1 C6 C5 -0.7(10) . . . . ?
Dy1 N1 C6 C5 163.7(6) . . . . ?
C2 N1 C6 C7 177.1(6) . . . . ?
Dy1 N1 C6 C7 -18.5(8) . . . . ?
C4 C5 C6 N1 1.0(12) . . . . ?
C4 C5 C6 C7 -176.7(7) . . . . ?
N1 C6 C7 N5 33.7(8) . . . . ?
C5 C6 C7 N5 -148.5(7) . . . . ?
C26 N5 C7 C6 89.3(6) . . . . ?
C20 N5 C7 C6 -152.4(5) . . . . ?
Dy1 N5 C7 C6 -31.8(7) . . . . ?
C14 N2 C8 C9 -151.5(5) . . . . ?
C1 N2 C8 C9 88.9(6) . . . . ?
Dy1 N2 C8 C9 -38.1(6) . . . . ?
C13 N3 C9 C10 -4.8(9) . . . . ?
Dy1 N3 C9 C10 157.9(5) . . . . ?
C13 N3 C9 C8 171.9(5) . . . . ?
Dy1 N3 C9 C8 -25.4(6) . . . . ?
N2 C8 C9 N3 42.2(7) . . . . ?
N2 C8 C9 C10 -141.2(6) . . . . ?
N3 C9 C10 C11 4.0(10) . . . . ?
C8 C9 C10 C11 -172.4(6) . . . . ?
C9 C10 C11 C12 -1.6(11) . . . . ?
C10 C11 C12 C13 0.1(12) . . . . ?
C9 N3 C13 C12 3.3(10) . . . . ?
Dy1 N3 C13 C12 -158.9(5) . . . . ?
C11 C12 C13 N3 -1.0(11) . . . . ?
C8 N2 C14 C15 64.3(5) . . . . ?
C1 N2 C14 C15 -177.1(4) . . . . ?
Dy1 N2 C14 C15 -56.7(4) . . . . ?
C19 N4 C15 C16 1.4(8) . . . . ?
Dy1 N4 C15 C16 -165.7(4) . . . . ?
C19 N4 C15 C14 -179.6(5) . . . . ?
Dy1 N4 C15 C14 13.3(6) . . . . ?
N2 C14 C15 N4 32.2(6) . . . . ?
N2 C14 C15 C16 -148.8(5) . . . . ?
N4 C15 C16 C17 0.1(9) . . . . ?
C14 C15 C16 C17 -178.9(5) . . . . ?
C15 C16 C17 C18 -1.8(9) . . . . ?
C16 C17 C18 C19 2.0(10) . . . . ?
C15 N4 C19 C18 -1.2(9) . . . . ?
Dy1 N4 C19 C18 164.4(5) . . . . ?
C17 C18 C19 N4 -0.6(10) . . . . ?
C26 N5 C20 C21 -170.4(5) . . . . ?
C7 N5 C20 C21 68.8(6) . . . . ?
Dy1 N5 C20 C21 -54.4(6) . . . . ?
C25 N6 C21 C22 1.7(10) . . . . ?
Dy1 N6 C21 C22 -173.8(6) . . . . ?
C25 N6 C21 C20 179.9(6) . . . . ?
Dy1 N6 C21 C20 4.4(7) . . . . ?
N5 C20 C21 N6 32.8(8) . . . . ?
N5 C20 C21 C22 -149.0(7) . . . . ?
N6 C21 C22 C23 -2.4(12) . . . . ?
C20 C21 C22 C23 179.5(7) . . . . ?
C21 C22 C23 C24 2.2(13) . . . . ?
C22 C23 C24 C25 -1.4(12) . . . . ?
C21 N6 C25 C24 -1.0(11) . . . . ?
Dy1 N6 C25 C24 173.9(5) . . . . ?
C23 C24 C25 N6 0.9(12) . . . . ?
C20 N5 C26 C27 170.1(5) . . . . ?
C7 N5 C26 C27 -72.2(6) . . . . ?
Dy1 N5 C26 C27 52.5(6) . . . . ?
C31 N7 C27 C28 -2.6(10) . . . . ?
Dy1 N7 C27 C28 -168.8(6) . . . . ?
C31 N7 C27 C26 -176.8(6) . . . . ?
Dy1 N7 C27 C26 17.0(7) . . . . ?
N5 C26 C27 N7 -48.2(8) . . . . ?
N5 C26 C27 C28 137.6(7) . . . . ?
N7 C27 C28 C29 3.0(13) . . . . ?
C26 C27 C28 C29 176.8(8) . . . . ?
C27 C28 C29 C30 -2.8(14) . . . . ?
C28 C29 C30 C31 2.4(13) . . . . ?
C27 N7 C31 C30 2.3(10) . . . . ?
Dy1 N7 C31 C30 166.7(5) . . . . ?
C29 C30 C31 N7 -2.2(12) . . . . ?
C44 B1 C32 C33 -137.2(5) . . . . ?
C50 B1 C32 C33 -18.0(7) . . . . ?
C38 B1 C32 C33 103.8(6) . . . . ?
C44 B1 C32 C37 44.6(7) . . . . ?
C50 B1 C32 C37 163.8(5) . . . . ?
C38 B1 C32 C37 -74.4(7) . . . . ?
C37 C32 C33 C34 -0.3(8) . . . . ?
B1 C32 C33 C34 -178.7(5) . . . . ?
C32 C33 C34 C35 0.2(9) . . . . ?
C33 C34 C35 C36 0.8(10) . . . . ?
C34 C35 C36 C37 -1.5(10) . . . . ?
C35 C36 C37 C32 1.4(10) . . . . ?
C33 C32 C37 C36 -0.5(9) . . . . ?
B1 C32 C37 C36 177.9(5) . . . . ?
C44 B1 C38 C39 90.7(7) . . . . ?
C50 B1 C38 C39 -29.9(8) . . . . ?
C32 B1 C38 C39 -150.6(6) . . . . ?
C44 B1 C38 C43 -85.8(6) . . . . ?
C50 B1 C38 C43 153.7(5) . . . . ?
C32 B1 C38 C43 32.9(8) . . . . ?
C43 C38 C39 C40 -1.7(9) . . . . ?
B1 C38 C39 C40 -178.4(6) . . . . ?
C38 C39 C40 C41 1.3(10) . . . . ?
C39 C40 C41 C42 -0.3(10) . . . . ?
C40 C41 C42 C43 -0.1(10) . . . . ?
C41 C42 C43 C38 -0.4(10) . . . . ?
C39 C38 C43 C42 1.3(8) . . . . ?
B1 C38 C43 C42 178.1(6) . . . . ?
C50 B1 C44 C49 101.9(6) . . . . ?
C32 B1 C44 C49 -139.5(5) . . . . ?
C38 B1 C44 C49 -19.3(7) . . . . ?
C50 B1 C44 C45 -72.6(7) . . . . ?
C32 B1 C44 C45 46.1(7) . . . . ?
C38 B1 C44 C45 166.3(5) . . . . ?
C49 C44 C45 C46 -2.5(9) . . . . ?
B1 C44 C45 C46 172.6(5) . . . . ?
C44 C45 C46 C47 0.5(10) . . . . ?
C45 C46 C47 C48 2.0(10) . . . . ?
C46 C47 C48 C49 -2.3(10) . . . . ?
C47 C48 C49 C44 0.2(9) . . . . ?
C45 C44 C49 C48 2.1(8) . . . . ?
B1 C44 C49 C48 -172.9(5) . . . . ?
C44 B1 C50 C55 21.5(8) . . . . ?
C32 B1 C50 C55 -96.8(6) . . . . ?
C38 B1 C50 C55 141.4(5) . . . . ?
C44 B1 C50 C51 -160.9(5) . . . . ?
C32 B1 C50 C51 80.9(7) . . . . ?
C38 B1 C50 C51 -40.9(7) . . . . ?
C55 C50 C51 C52 0.1(8) . . . . ?
B1 C50 C51 C52 -177.8(5) . . . . ?
C50 C51 C52 C53 -1.4(9) . . . . ?
C51 C52 C53 C54 2.7(9) . . . . ?
C52 C53 C54 C55 -2.8(10) . . . . ?
C51 C50 C55 C54 -0.3(9) . . . . ?
B1 C50 C55 C54 177.5(6) . . . . ?
C53 C54 C55 C50 1.7(10) . . . . ?
C62 B2 C56 C57 114.0(7) . . . . ?
C68 B2 C56 C57 -123.9(7) . . . . ?
C74 B2 C56 C57 -6.5(9) . . . . ?
C62 B2 C56 C61 -67.1(9) . . . . ?
C68 B2 C56 C61 55.1(9) . . . . ?
C74 B2 C56 C61 172.4(6) . . . . ?
C61 C56 C57 C58 -2.3(11) . . . . ?
B2 C56 C57 C58 176.8(8) . . . . ?
C56 C57 C58 C59 2.8(14) . . . . ?
C57 C58 C59 C60 -3.3(14) . . . . ?
C58 C59 C60 C61 3.5(15) . . . . ?
C59 C60 C61 C56 -3.1(14) . . . . ?
C57 C56 C61 C60 2.4(12) . . . . ?
B2 C56 C61 C60 -176.7(8) . . . . ?
C56 B2 C62 C63 12.8(9) . . . . ?
C68 B2 C62 C63 -110.5(7) . . . . ?
C74 B2 C62 C63 132.4(6) . . . . ?
C56 B2 C62 C67 -167.2(6) . . . . ?
C68 B2 C62 C67 69.5(8) . . . . ?
C74 B2 C62 C67 -47.6(8) . . . . ?
C67 C62 C63 C64 -1.7(9) . . . . ?
B2 C62 C63 C64 178.3(6) . . . . ?
C62 C63 C64 C65 0.3(11) . . . . ?
C63 C64 C65 C66 1.6(12) . . . . ?
C64 C65 C66 C67 -1.9(12) . . . . ?
C65 C66 C67 C62 0.3(12) . . . . ?
C63 C62 C67 C66 1.5(10) . . . . ?
B2 C62 C67 C66 -178.6(6) . . . . ?
C62 B2 C68 C69 120.7(8) . . . . ?
C56 B2 C68 C69 -2.4(10) . . . . ?
C74 B2 C68 C69 -120.5(8) . . . . ?
C62 B2 C68 C73 -66.2(9) . . . . ?
C56 B2 C68 C73 170.8(7) . . . . ?
C74 B2 C68 C73 52.7(9) . . . . ?
C73 C68 C69 C70 -1.1(11) . . . . ?
B2 C68 C69 C70 172.4(7) . . . . ?
C68 C69 C70 C71 -0.8(12) . . . . ?
C69 C70 C71 C72 4.2(14) . . . . ?
C70 C71 C72 C73 -5.0(14) . . . . ?
C69 C68 C73 C72 0.1(12) . . . . ?
B2 C68 C73 C72 -173.8(7) . . . . ?
C71 C72 C73 C68 2.7(13) . . . . ?
C62 B2 C74 C75 -28.5(9) . . . . ?
C56 B2 C74 C75 92.8(8) . . . . ?
C68 B2 C74 C75 -147.1(7) . . . . ?
C62 B2 C74 C79 157.8(7) . . . . ?
C56 B2 C74 C79 -81.0(8) . . . . ?
C68 B2 C74 C79 39.2(9) . . . . ?
C79 C74 C75 C76 0.5(12) . . . . ?
B2 C74 C75 C76 -173.6(7) . . . . ?
C74 C75 C76 C77 -2.1(14) . . . . ?
C75 C76 C77 C78 5.5(15) . . . . ?
C76 C77 C78 C79 -7.1(14) . . . . ?
C75 C74 C79 C78 -2.1(11) . . . . ?
B2 C74 C79 C78 172.0(7) . . . . ?
C77 C78 C79 C74 5.4(13) . . . . ?

_refine_diff_density_max         0.806
_refine_diff_density_min         -1.021
_refine_diff_density_rms         0.121




