# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mo_xj86_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2344766'
loop_
_audit_author_name
_audit_author_address
'Zhang Yuchen'
;Ningxia University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2024-09-12 downloaded from the CCDC.
;
_audit_creation_date             2020-12-13
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H32 Dy N6 O4, C24 H20 B, C H2 Cl2'
_chemical_formula_sum            'C51 H54 B Cl2 Dy N6 O4'
_chemical_formula_weight         1059.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4067(5)
_cell_length_b                   14.5674(7)
_cell_length_c                   16.9951(9)
_cell_angle_alpha                75.868(2)
_cell_angle_beta                 81.870(2)
_cell_angle_gamma                79.324(2)
_cell_volume                     2442.7(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9274
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      2.25
_cell_measurement_theta_min      27.47
_shelx_estimated_absorpt_T_max   0.149
_shelx_estimated_absorpt_T_min   0.133
_exptl_absorpt_coefficient_mu    1.614
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             1063
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   0.852
_exptl_transmission_factor_min   0.760
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            61817
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.533
_diffrn_reflns_theta_min         1.460
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9543
_reflns_number_total             11235
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.673
_refine_diff_density_min         -0.822
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         11235
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0348
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0203P)²+2.3699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0700
_refine_ls_wR_factor_ref         0.0749
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C19(H19A,H19B), C20(H20A,H20B), C58(H58A,H58B)
2.b Aromatic/amide H refined with riding coordinates:
 C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C44(H44), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51),
  C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C13(H13), C14(H14),
 C16(H16), C24(H24), C25(H25), C26(H26)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C18(H18A,H18B,H18C), C21(H21A,H21B,H21C), C28(H28A,H28B,
 H28C), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.6234(4) 0.1843(3) 0.2258(2) 0.0414(8) Uani 1 1 d . . . . .
C34 C 0.1879(4) 0.2298(3) 0.2977(3) 0.0650(11) Uani 1 1 d . . . . .
H34 H 0.097661 0.238849 0.312331 0.078 Uiso 1 1 calc R U . . .
C35 C 0.2742(4) 0.2062(3) 0.3561(3) 0.0635(10) Uani 1 1 d . . . . .
H35 H 0.242219 0.199242 0.410775 0.076 Uiso 1 1 calc R U . . .
C36 C 0.4087(3) 0.1925(2) 0.3342(2) 0.0505(8) Uani 1 1 d . . . . .
H36 H 0.464663 0.177018 0.375235 0.061 Uiso 1 1 calc R U . . .
C37 C 0.4634(3) 0.2009(2) 0.2541(2) 0.0422(7) Uani 1 1 d . . . . .
C38 C 0.3715(3) 0.2255(3) 0.1972(2) 0.0544(9) Uani 1 1 d . . . . .
H38 H 0.402308 0.232791 0.142286 0.065 Uiso 1 1 calc R U . . .
C39 C 0.2369(4) 0.2398(3) 0.2178(3) 0.0617(10) Uani 1 1 d . . . . .
H39 H 0.180029 0.256101 0.177252 0.074 Uiso 1 1 calc R U . . .
C40 C 0.7315(4) 0.1541(3) 0.3655(3) 0.0707(11) Uani 1 1 d . . . . .
H40 H 0.699132 0.217897 0.366053 0.085 Uiso 1 1 calc R U . . .
C41 C 0.8036(5) 0.0987(4) 0.4286(3) 0.0875(15) Uani 1 1 d . . . . .
H41 H 0.816735 0.125942 0.470385 0.105 Uiso 1 1 calc R U . . .
C42 C 0.8547(5) 0.0061(4) 0.4299(3) 0.0842(14) Uani 1 1 d . . . . .
H42 H 0.903590 -0.030412 0.471667 0.101 Uiso 1 1 calc R U . . .
C43 C 0.8329(4) -0.0325(3) 0.3686(3) 0.0759(12) Uani 1 1 d . . . . .
H43 H 0.867673 -0.096015 0.368176 0.091 Uiso 1 1 calc R U . . .
C44 C 0.7589(4) 0.0224(3) 0.3066(2) 0.0577(9) Uani 1 1 d . . . . .
H44 H 0.744260 -0.006424 0.266239 0.069 Uiso 1 1 calc R U . . .
C45 C 0.7058(3) 0.1180(2) 0.3018(2) 0.0447(7) Uani 1 1 d . . . . .
C46 C 0.6493(3) 0.1317(2) 0.1480(2) 0.0416(7) Uani 1 1 d . . . . .
C47 C 0.5827(3) 0.0574(3) 0.1470(2) 0.0527(9) Uani 1 1 d . . . . .
H47 H 0.524400 0.036805 0.191853 0.063 Uiso 1 1 calc R U . . .
C48 C 0.5994(4) 0.0128(3) 0.0822(3) 0.0612(10) Uani 1 1 d . . . . .
H48 H 0.552184 -0.036097 0.083914 0.073 Uiso 1 1 calc R U . . .
C49 C 0.6854(4) 0.0410(3) 0.0156(3) 0.0685(12) Uani 1 1 d . . . . .
H49 H 0.696380 0.011861 -0.028453 0.082 Uiso 1 1 calc R U . . .
C50 C 0.7549(4) 0.1120(3) 0.0144(2) 0.0625(10) Uani 1 1 d . . . . .
H50 H 0.814757 0.130882 -0.030193 0.075 Uiso 1 1 calc R U . . .
C51 C 0.7364(3) 0.1563(2) 0.0798(2) 0.0487(8) Uani 1 1 d . . . . .
H51 H 0.784712 0.204732 0.077569 0.058 Uiso 1 1 calc R U . . .
C52 C 0.6751(3) 0.2887(2) 0.1958(2) 0.0475(8) Uani 1 1 d . . . . .
C53 C 0.5955(4) 0.3724(3) 0.1623(3) 0.0646(10) Uani 1 1 d . . . . .
H53 H 0.507641 0.370268 0.159105 0.078 Uiso 1 1 calc R U . . .
C54 C 0.6409(5) 0.4593(3) 0.1334(3) 0.0897(15) Uani 1 1 d . . . . .
H54 H 0.583663 0.513916 0.111918 0.108 Uiso 1 1 calc R U . . .
C55 C 0.7697(6) 0.4651(4) 0.1364(3) 0.0928(16) Uani 1 1 d . . . . .
H55 H 0.800305 0.523509 0.117757 0.111 Uiso 1 1 calc R U . . .
C56 C 0.8525(5) 0.3844(4) 0.1669(3) 0.0823(14) Uani 1 1 d . . . . .
H56 H 0.940849 0.387136 0.167762 0.099 Uiso 1 1 calc R U . . .
C57 C 0.8064(4) 0.2984(3) 0.1964(3) 0.0647(10) Uani 1 1 d . . . . .
H57 H 0.864923 0.244486 0.217698 0.078 Uiso 1 1 calc R U . . .
C8 C 0.2777(5) 0.9585(3) 0.3153(3) 0.0780(14) Uani 1 1 d . . . . .
H8A H 0.322479 1.007818 0.323103 0.094 Uiso 1 1 calc R U . . .
H8B H 0.190208 0.965062 0.343967 0.094 Uiso 1 1 calc R U . . .
C9 C 0.2697(4) 0.9679(3) 0.2263(3) 0.0721(12) Uani 1 1 d . . . . .
H9A H 0.228639 1.031956 0.201689 0.086 Uiso 1 1 calc R U . . .
H9B H 0.356757 0.955369 0.198273 0.086 Uiso 1 1 calc R U . . .
C10 C 0.0853(3) 0.9240(2) 0.1873(2) 0.0442(7) Uani 1 1 d . . . . .
C11 C 0.0369(4) 1.0239(3) 0.1419(3) 0.0730(12) Uani 1 1 d . . . . .
H11A H -0.029058 1.055036 0.176454 0.110 Uiso 1 1 calc R U . . .
H11B H -0.000217 1.021118 0.094090 0.110 Uiso 1 1 calc R U . . .
H11C H 0.108922 1.059484 0.126130 0.110 Uiso 1 1 calc R U . . .
C12 C 0.0009(3) 0.8498(2) 0.1961(2) 0.0432(7) Uani 1 1 d . . . . .
C13 C -0.1250(3) 0.8727(3) 0.1710(2) 0.0608(10) Uani 1 1 d . . . . .
H13 H -0.154446 0.934009 0.141618 0.073 Uiso 1 1 calc R U . . .
C14 C -0.1560(4) 0.7136(3) 0.2289(3) 0.0660(11) Uani 1 1 d . . . . .
H14 H -0.208630 0.665878 0.242219 0.079 Uiso 1 1 calc R U . . .
C15 C -0.0277(3) 0.6932(2) 0.2486(2) 0.0469(8) Uani 1 1 d . . . . .
C16 C -0.2046(4) 0.8041(3) 0.1899(3) 0.0722(12) Uani 1 1 d . . . . .
H16 H -0.290735 0.818985 0.176336 0.087 Uiso 1 1 calc R U . . .
C17 C 0.0368(4) 0.5941(2) 0.2832(2) 0.0506(8) Uani 1 1 d . . . . .
C18 C -0.0378(5) 0.5132(3) 0.2925(3) 0.0915(16) Uani 1 1 d . . . . .
H18A H 0.018545 0.461210 0.273647 0.137 Uiso 1 1 calc R U . . .
H18B H -0.111683 0.534511 0.260925 0.137 Uiso 1 1 calc R U . . .
H18C H -0.068406 0.491945 0.348911 0.137 Uiso 1 1 calc R U . . .
C19 C 0.2279(5) 0.4889(3) 0.3241(3) 0.0791(14) Uani 1 1 d . . . . .
H19A H 0.189190 0.442963 0.305995 0.095 Uiso 1 1 calc R U . . .
H19B H 0.225285 0.470623 0.383109 0.095 Uiso 1 1 calc R U . . .
C20 C 0.3661(4) 0.4893(3) 0.2872(3) 0.0709(12) Uani 1 1 d . . . . .
H20A H 0.416445 0.425563 0.301505 0.085 Uiso 1 1 calc R U . . .
H20B H 0.368744 0.508558 0.228230 0.085 Uiso 1 1 calc R U . . .
C21 C 0.5952(4) 0.4280(3) 0.3776(3) 0.0722(12) Uani 1 1 d . . . . .
H21A H 0.535546 0.382676 0.386059 0.108 Uiso 1 1 calc R U . . .
H21B H 0.639568 0.417568 0.425580 0.108 Uiso 1 1 calc R U . . .
H21C H 0.658591 0.419810 0.332001 0.108 Uiso 1 1 calc R U . . .
C22 C 0.5195(3) 0.5283(2) 0.3606(2) 0.0480(8) Uani 1 1 d . . . . .
C23 C 0.5624(3) 0.6012(2) 0.3945(2) 0.0473(8) Uani 1 1 d . . . . .
C24 C 0.6720(4) 0.5804(3) 0.4375(3) 0.0699(11) Uani 1 1 d . . . . .
H24 H 0.718812 0.518531 0.448808 0.084 Uiso 1 1 calc R U . . .
C25 C 0.7099(5) 0.6526(4) 0.4630(3) 0.0871(15) Uani 1 1 d . . . . .
H25 H 0.784944 0.640965 0.490034 0.104 Uiso 1 1 calc R U . . .
C26 C 0.6365(4) 0.7421(3) 0.4484(3) 0.0745(12) Uani 1 1 d . . . . .
H26 H 0.661295 0.791718 0.465373 0.089 Uiso 1 1 calc R U . . .
C27 C 0.5255(3) 0.7579(3) 0.4083(2) 0.0486(8) Uani 1 1 d . . . . .
C28 C 0.4748(4) 0.9314(3) 0.4257(3) 0.0702(11) Uani 1 1 d . . . . .
H28A H 0.544134 0.960700 0.390873 0.105 Uiso 1 1 calc R U . . .
H28B H 0.502652 0.904166 0.479078 0.105 Uiso 1 1 calc R U . . .
H28C H 0.398175 0.978939 0.429223 0.105 Uiso 1 1 calc R U . . .
C29 C 0.4428(3) 0.8537(2) 0.3908(2) 0.0477(8) Uani 1 1 d . . . . .
C30 C 0.1281(3) 0.7059(3) 0.4500(2) 0.0542(9) Uani 1 1 d . . . . .
C31 C 0.0459(5) 0.6992(4) 0.5258(3) 0.0977(17) Uani 1 1 d . . . . .
H31A H 0.018417 0.637327 0.541964 0.147 Uiso 1 1 calc R U . . .
H31B H -0.029890 0.748144 0.519271 0.147 Uiso 1 1 calc R U . . .
H31C H 0.094318 0.707530 0.566998 0.147 Uiso 1 1 calc R U . . .
C32 C 0.4374(3) 0.7345(2) 0.1494(2) 0.0437(7) Uani 1 1 d . . . . .
C33 C 0.5238(4) 0.7347(3) 0.0715(2) 0.0626(10) Uani 1 1 d . . . . .
H33A H 0.526643 0.799604 0.041962 0.094 Uiso 1 1 calc R U . . .
H33B H 0.489527 0.701010 0.039216 0.094 Uiso 1 1 calc R U . . .
H33C H 0.610927 0.703625 0.083275 0.094 Uiso 1 1 calc R U . . .
Dy1 Dy 0.28027(2) 0.72529(2) 0.29698(2) 0.03773(5) Uani 1 1 d . . . . .
N1 N 0.0496(2) 0.76076(18) 0.23405(15) 0.0387(6) Uani 1 1 d . . . . .
N2 N 0.1905(3) 0.89719(18) 0.22123(17) 0.0461(6) Uani 1 1 d . . . . .
N3 N 0.3514(3) 0.86282(19) 0.34630(19) 0.0540(7) Uani 1 1 d . . . . .
N4 N 0.4897(3) 0.68876(18) 0.38046(15) 0.0421(6) Uani 1 1 d . . . . .
N5 N 0.4220(3) 0.55707(19) 0.31842(18) 0.0503(7) Uani 1 1 d . . . . .
N6 N 0.1542(3) 0.58477(19) 0.29922(18) 0.0526(7) Uani 1 1 d . . . . .
O1 O 0.2256(2) 0.64441(18) 0.44206(15) 0.0603(7) Uani 1 1 d . . . . .
O2 O 0.1008(3) 0.7760(2) 0.39230(16) 0.0728(8) Uani 1 1 d . . . . .
O3 O 0.4684(2) 0.77004(18) 0.20315(15) 0.0561(6) Uani 1 1 d . . . . .
O4 O 0.3333(2) 0.69804(17) 0.16211(14) 0.0509(6) Uani 1 1 d . . . . .
C58 C 0.1841(6) 0.6127(4) 0.0478(3) 0.1026(18) Uani 1 1 d . . . . .
H58A H 0.226026 0.647107 0.076505 0.123 Uiso 1 1 calc R U . . .
H58B H 0.227496 0.619403 -0.007258 0.123 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0200(2) 0.66287(19) 0.04385(12) 0.1587(8) Uani 1 1 d . . . . .
Cl2 Cl 0.2026(3) 0.49143(14) 0.09701(11) 0.1610(9) 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
B1 C37 1.657(5) . ?
B1 C45 1.653(5) . ?
B1 C46 1.650(5) . ?
B1 C52 1.646(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.371(6) . ?
C34 C39 1.364(5) . ?
C35 H35 0.9300 . ?
C35 C36 1.386(5) . ?
C36 H36 0.9300 . ?
C36 C37 1.386(5) . ?
C37 C38 1.394(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.384(5) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C40 C41 1.395(6) . ?
C40 C45 1.390(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.352(7) . ?
C42 H42 0.9300 . ?
C42 C43 1.361(6) . ?
C43 H43 0.9300 . ?
C43 C44 1.390(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.386(5) . ?
C46 C47 1.394(4) . ?
C46 C51 1.384(5) . ?
C47 H47 0.9300 . ?
C47 C48 1.385(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.369(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.363(6) . ?
C50 H50 0.9300 . ?
C50 C51 1.390(5) . ?
C51 H51 0.9300 . ?
C52 C53 1.385(5) . ?
C52 C57 1.401(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.386(5) . ?
C54 H54 0.9300 . ?
C54 C55 1.367(7) . ?
C55 H55 0.9300 . ?
C55 C56 1.360(7) . ?
C56 H56 0.9300 . ?
C56 C57 1.378(6) . ?
C57 H57 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.497(6) . ?
C8 N3 1.472(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 N2 1.457(4) . ?
C10 C11 1.503(4) . ?
C10 C12 1.483(5) . ?
C10 N2 1.262(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.391(4) . ?
C12 N1 1.340(4) . ?
C13 H13 0.9300 . ?
C13 C16 1.365(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.383(5) . ?
C14 C16 1.362(6) . ?
C15 C17 1.490(5) . ?
C15 N1 1.340(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.494(5) . ?
C17 N6 1.264(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.486(6) . ?
C19 N6 1.457(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 N5 1.467(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C21 C22 1.507(4) . ?
C22 C23 1.485(5) . ?
C22 N5 1.273(4) . ?
C23 C24 1.388(5) . ?
C23 N4 1.342(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.370(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.367(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.379(5) . ?
C27 C29 1.484(5) . ?
C27 N4 1.341(4) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 C29 1.506(5) . ?
C29 N3 1.265(4) . ?
C30 C31 1.435(5) . ?
C30 Dy1 2.828(4) . ?
C30 O1 1.239(4) . ?
C30 O2 1.252(4) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.490(5) . ?
C32 Dy1 2.782(3) . ?
C32 O3 1.259(4) . ?
C32 O4 1.262(4) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
Dy1 N1 2.678(2) . ?
Dy1 N2 2.588(2) . ?
Dy1 N3 2.610(3) . ?
Dy1 N4 2.669(2) . ?
Dy1 N5 2.587(3) . ?
Dy1 N6 2.619(3) . ?
Dy1 O1 2.495(2) . ?
Dy1 O2 2.424(3) . ?
Dy1 O3 2.426(2) . ?
Dy1 O4 2.392(2) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 Cl1 1.732(6) . ?
C58 Cl2 1.748(5) . ?

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
C45 B1 C37 111.1(3) . . ?
C46 B1 C37 108.3(3) . . ?
C46 B1 C45 110.3(2) . . ?
C52 B1 C37 109.6(2) . . ?
C52 B1 C45 109.0(3) . . ?
C52 B1 C46 108.5(3) . . ?
C35 C34 H34 120.6 . . ?
C39 C34 H34 120.6 . . ?
C39 C34 C35 118.7(3) . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(4) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 118.5 . . ?
C37 C36 C35 122.9(3) . . ?
C37 C36 H36 118.5 . . ?
C36 C37 B1 124.3(3) . . ?
C36 C37 C38 114.1(3) . . ?
C38 C37 B1 121.6(3) . . ?
C37 C38 H38 118.1 . . ?
C39 C38 C37 123.7(4) . . ?
C39 C38 H38 118.1 . . ?
C34 C39 C38 119.9(4) . . ?
C34 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C41 C40 H40 118.6 . . ?
C45 C40 H40 118.6 . . ?
C45 C40 C41 122.8(4) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 C40 120.9(4) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 120.7 . . ?
C41 C42 C43 118.6(4) . . ?
C43 C42 H42 120.7 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.3(4) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 118.3 . . ?
C45 C44 C43 123.5(4) . . ?
C45 C44 H44 118.3 . . ?
C40 C45 B1 122.8(3) . . ?
C44 C45 B1 123.3(3) . . ?
C44 C45 C40 113.9(3) . . ?
C47 C46 B1 121.2(3) . . ?
C51 C46 B1 124.1(3) . . ?
C51 C46 C47 114.7(3) . . ?
C46 C47 H47 118.5 . . ?
C48 C47 C46 123.1(4) . . ?
C48 C47 H47 118.5 . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.8(4) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 120.3 . . ?
C50 C49 C48 119.4(4) . . ?
C50 C49 H49 120.3 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.0(4) . . ?
C51 C50 H50 120.0 . . ?
C46 C51 C50 123.0(4) . . ?
C46 C51 H51 118.5 . . ?
C50 C51 H51 118.5 . . ?
C53 C52 B1 123.0(3) . . ?
C53 C52 C57 114.5(3) . . ?
C57 C52 B1 122.3(3) . . ?
C52 C53 H53 118.6 . . ?
C52 C53 C54 122.9(4) . . ?
C54 C53 H53 118.6 . . ?
C53 C54 H54 119.9 . . ?
C55 C54 C53 120.2(4) . . ?
C55 C54 H54 119.9 . . ?
C54 C55 H55 120.5 . . ?
C56 C55 C54 119.1(4) . . ?
C56 C55 H55 120.5 . . ?
C55 C56 H56 119.8 . . ?
C55 C56 C57 120.4(4) . . ?
C57 C56 H56 119.8 . . ?
C52 C57 H57 118.6 . . ?
C56 C57 C52 122.8(4) . . ?
C56 C57 H57 118.6 . . ?
H8A C8 H8B 108.5 . . ?
C9 C8 H8A 110.3 . . ?
C9 C8 H8B 110.3 . . ?
N3 C8 H8A 110.3 . . ?
N3 C8 H8B 110.3 . . ?
N3 C8 C9 107.2(3) . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
N2 C9 C8 106.2(3) . . ?
N2 C9 H9A 110.5 . . ?
N2 C9 H9B 110.5 . . ?
C12 C10 C11 117.8(3) . . ?
N2 C10 C11 126.0(3) . . ?
N2 C10 C12 116.1(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C10 121.7(3) . . ?
N1 C12 C10 116.2(3) . . ?
N1 C12 C13 122.0(3) . . ?
C12 C13 H13 120.4 . . ?
C16 C13 C12 119.2(4) . . ?
C16 C13 H13 120.4 . . ?
C15 C14 H14 120.2 . . ?
C16 C14 H14 120.2 . . ?
C16 C14 C15 119.6(4) . . ?
C14 C15 C17 122.6(3) . . ?
N1 C15 C14 122.2(3) . . ?
N1 C15 C17 115.1(3) . . ?
C13 C16 H16 120.5 . . ?
C14 C16 C13 118.9(3) . . ?
C14 C16 H16 120.5 . . ?
C15 C17 C18 118.4(3) . . ?
N6 C17 C15 116.7(3) . . ?
N6 C17 C18 124.9(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
H19A C19 H19B 108.3 . . ?
C20 C19 H19A 110.0 . . ?
C20 C19 H19B 110.0 . . ?
N6 C19 H19A 110.0 . . ?
N6 C19 H19B 110.0 . . ?
N6 C19 C20 108.6(3) . . ?
C19 C20 H20A 110.1 . . ?
C19 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
N5 C20 C19 108.1(3) . . ?
N5 C20 H20A 110.1 . . ?
N5 C20 H20B 110.1 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
C23 C22 C21 117.9(3) . . ?
N5 C22 C21 125.7(3) . . ?
N5 C22 C23 116.4(3) . . ?
C24 C23 C22 122.0(3) . . ?
N4 C23 C22 116.1(3) . . ?
N4 C23 C24 121.9(3) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.7(4) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.5(4) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 120.3 . . ?
C25 C26 C27 119.3(4) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 C29 121.4(3) . . ?
N4 C27 C26 121.8(3) . . ?
N4 C27 C29 116.7(3) . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
C27 C29 C28 118.2(3) . . ?
N3 C29 C27 116.1(3) . . ?
N3 C29 C28 125.7(3) . . ?
C31 C30 Dy1 177.3(3) . . ?
O1 C30 C31 120.7(4) . . ?
O1 C30 Dy1 61.84(19) . . ?
O1 C30 O2 120.4(3) . . ?
O2 C30 C31 118.8(3) . . ?
O2 C30 Dy1 58.63(19) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 Dy1 177.4(2) . . ?
O3 C32 C33 120.1(3) . . ?
O3 C32 Dy1 60.57(17) . . ?
O3 C32 O4 119.6(3) . . ?
O4 C32 C33 120.3(3) . . ?
O4 C32 Dy1 59.03(17) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 Dy1 C30 176.89(10) . . ?
N1 Dy1 C30 85.41(9) . . ?
N1 Dy1 C32 96.35(9) . . ?
N2 Dy1 C30 102.93(10) . . ?
N2 Dy1 C32 80.17(9) . . ?
N2 Dy1 N1 59.94(8) . . ?
N2 Dy1 N3 64.76(8) . . ?
N2 Dy1 N4 121.81(8) . . ?
N2 Dy1 N6 119.16(8) . . ?
N3 Dy1 C30 81.31(11) . . ?
N3 Dy1 C32 100.06(10) . . ?
N3 Dy1 N1 117.93(8) . . ?
N3 Dy1 N4 60.16(8) . . ?
N3 Dy1 N6 158.56(10) . . ?
N4 Dy1 C30 86.36(9) . . ?
N4 Dy1 C32 91.90(9) . . ?
N4 Dy1 N1 171.75(8) . . ?
N5 Dy1 C30 99.24(10) . . ?
N5 Dy1 C32 77.66(9) . . ?
N5 Dy1 N1 121.58(8) . . ?
N5 Dy1 N2 157.80(9) . . ?
N5 Dy1 N3 120.35(9) . . ?
N5 Dy1 N4 60.37(8) . . ?
N5 Dy1 N6 64.97(9) . . ?
N6 Dy1 C30 77.28(10) . . ?
N6 Dy1 C32 101.38(10) . . ?
N6 Dy1 N1 59.47(8) . . ?
N6 Dy1 N4 118.92(8) . . ?
O1 Dy1 C30 25.96(8) . . ?
O1 Dy1 C32 150.97(8) . . ?
O1 Dy1 N1 103.36(8) . . ?
O1 Dy1 N2 128.24(8) . . ?
O1 Dy1 N3 89.40(9) . . ?
O1 Dy1 N4 69.03(8) . . ?
O1 Dy1 N5 73.91(9) . . ?
O1 Dy1 N6 71.71(9) . . ?
O2 Dy1 C30 26.17(9) . . ?
O2 Dy1 C32 156.90(9) . . ?
O2 Dy1 N1 68.59(9) . . ?
O2 Dy1 N2 77.11(9) . . ?
O2 Dy1 N3 73.89(10) . . ?
O2 Dy1 N4 103.53(9) . . ?
O2 Dy1 N5 124.90(9) . . ?
O2 Dy1 N6 86.25(10) . . ?
O2 Dy1 O1 52.13(8) . . ?
O2 Dy1 O3 146.02(10) . . ?
O3 Dy1 C30 153.25(10) . . ?
O3 Dy1 C32 26.88(8) . . ?
O3 Dy1 N1 116.39(8) . . ?
O3 Dy1 N2 77.81(9) . . ?
O3 Dy1 N3 74.85(9) . . ?
O3 Dy1 N4 71.41(8) . . ?
O3 Dy1 N5 82.87(9) . . ?
O3 Dy1 N6 126.26(9) . . ?
O3 Dy1 O1 140.17(8) . . ?
O4 Dy1 C30 152.77(10) . . ?
O4 Dy1 C32 26.91(8) . . ?
O4 Dy1 N1 74.97(8) . . ?
O4 Dy1 N2 83.58(8) . . ?
O4 Dy1 N3 124.50(9) . . ?
O4 Dy1 N4 112.95(8) . . ?
O4 Dy1 N5 76.18(9) . . ?
O4 Dy1 N6 76.53(9) . . ?
O4 Dy1 O1 143.21(8) . . ?
O4 Dy1 O2 143.52(9) . . ?
O4 Dy1 O3 53.77(8) . . ?
C12 N1 Dy1 120.6(2) . . ?
C15 N1 C12 117.9(3) . . ?
C15 N1 Dy1 121.0(2) . . ?
C9 N2 Dy1 112.9(2) . . ?
C10 N2 C9 119.9(3) . . ?
C10 N2 Dy1 127.0(2) . . ?
C8 N3 Dy1 114.1(2) . . ?
C29 N3 C8 119.9(3) . . ?
C29 N3 Dy1 126.0(2) . . ?
C23 N4 Dy1 120.7(2) . . ?
C27 N4 C23 118.7(3) . . ?
C27 N4 Dy1 120.6(2) . . ?
C20 N5 Dy1 112.5(2) . . ?
C22 N5 C20 120.6(3) . . ?
C22 N5 Dy1 126.2(2) . . ?
C17 N6 C19 119.3(3) . . ?
C17 N6 Dy1 125.6(2) . . ?
C19 N6 Dy1 115.1(2) . . ?
C30 O1 Dy1 92.2(2) . . ?
C30 O2 Dy1 95.2(2) . . ?
C32 O3 Dy1 92.6(2) . . ?
C32 O4 Dy1 94.06(19) . . ?
H58A C58 H58B 107.9 . . ?
Cl1 C58 H58A 109.3 . . ?
Cl1 C58 H58B 109.3 . . ?
Cl1 C58 Cl2 111.7(3) . . ?
Cl2 C58 H58A 109.3 . . ?
Cl2 C58 H58B 109.3 . . ?

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
B1 C37 C38 C39 179.7(3) . . . . ?
B1 C46 C47 C48 178.5(3) . . . . ?
B1 C46 C51 C50 -178.9(3) . . . . ?
B1 C52 C53 C54 -176.7(4) . . . . ?
B1 C52 C57 C56 175.9(4) . . . . ?
C34 C35 C36 C37 -0.5(6) . . . . ?
C35 C34 C39 C38 0.3(6) . . . . ?
C35 C36 C37 B1 -179.5(3) . . . . ?
C35 C36 C37 C38 0.8(5) . . . . ?
C36 C37 C38 C39 -0.6(5) . . . . ?
C37 B1 C45 C40 -77.5(4) . . . . ?
C37 B1 C45 C44 104.5(4) . . . . ?
C37 B1 C46 C47 -42.1(4) . . . . ?
C37 B1 C46 C51 137.9(3) . . . . ?
C37 B1 C52 C53 -28.5(4) . . . . ?
C37 B1 C52 C57 156.5(3) . . . . ?
C37 C38 C39 C34 0.0(6) . . . . ?
C39 C34 C35 C36 -0.1(6) . . . . ?
C40 C41 C42 C43 -0.8(8) . . . . ?
C41 C40 C45 B1 -178.5(4) . . . . ?
C41 C40 C45 C44 -0.3(6) . . . . ?
C41 C42 C43 C44 -0.4(8) . . . . ?
C42 C43 C44 C45 1.3(7) . . . . ?
C43 C44 C45 B1 177.2(4) . . . . ?
C43 C44 C45 C40 -0.9(6) . . . . ?
C45 B1 C37 C36 22.0(4) . . . . ?
C45 B1 C37 C38 -158.4(3) . . . . ?
C45 B1 C46 C47 79.7(4) . . . . ?
C45 B1 C46 C51 -100.3(3) . . . . ?
C45 B1 C52 C53 -150.3(3) . . . . ?
C45 B1 C52 C57 34.8(4) . . . . ?
C45 C40 C41 C42 1.2(8) . . . . ?
C46 B1 C37 C36 143.3(3) . . . . ?
C46 B1 C37 C38 -37.1(4) . . . . ?
C46 B1 C45 C40 162.4(3) . . . . ?
C46 B1 C45 C44 -15.6(4) . . . . ?
C46 B1 C52 C53 89.5(4) . . . . ?
C46 B1 C52 C57 -85.4(4) . . . . ?
C46 C47 C48 C49 0.6(6) . . . . ?
C47 C46 C51 C50 1.1(5) . . . . ?
C47 C48 C49 C50 0.7(6) . . . . ?
C48 C49 C50 C51 -1.1(6) . . . . ?
C49 C50 C51 C46 0.2(5) . . . . ?
C51 C46 C47 C48 -1.5(5) . . . . ?
C52 B1 C37 C36 -98.5(4) . . . . ?
C52 B1 C37 C38 81.1(4) . . . . ?
C52 B1 C45 C40 43.3(4) . . . . ?
C52 B1 C45 C44 -134.7(3) . . . . ?
C52 B1 C46 C47 -160.9(3) . . . . ?
C52 B1 C46 C51 19.1(4) . . . . ?
C52 C53 C54 C55 0.7(8) . . . . ?
C53 C52 C57 C56 0.6(6) . . . . ?
C53 C54 C55 C56 1.0(8) . . . . ?
C54 C55 C56 C57 -1.8(8) . . . . ?
C55 C56 C57 C52 1.0(7) . . . . ?
C57 C52 C53 C54 -1.4(6) . . . . ?
C8 C9 N2 C10 120.4(4) . . . . ?
C8 C9 N2 Dy1 -54.9(4) . . . . ?
C9 C8 N3 C29 133.2(4) . . . . ?
C9 C8 N3 Dy1 -44.9(4) . . . . ?
C10 C12 C13 C16 -171.6(4) . . . . ?
C10 C12 N1 C15 175.1(3) . . . . ?
C10 C12 N1 Dy1 3.5(4) . . . . ?
C11 C10 C12 C13 -6.6(5) . . . . ?
C11 C10 C12 N1 177.4(3) . . . . ?
C11 C10 N2 C9 7.0(6) . . . . ?
C11 C10 N2 Dy1 -178.4(3) . . . . ?
C12 C10 N2 C9 -170.9(3) . . . . ?
C12 C10 N2 Dy1 3.7(4) . . . . ?
C12 C13 C16 C14 -3.7(6) . . . . ?
C13 C12 N1 C15 -0.9(5) . . . . ?
C13 C12 N1 Dy1 -172.6(3) . . . . ?
C14 C15 C17 C18 3.5(6) . . . . ?
C14 C15 C17 N6 -179.5(4) . . . . ?
C14 C15 N1 C12 -2.8(5) . . . . ?
C14 C15 N1 Dy1 168.8(3) . . . . ?
C15 C14 C16 C13 0.1(7) . . . . ?
C15 C17 N6 C19 -172.9(3) . . . . ?
C15 C17 N6 Dy1 9.4(5) . . . . ?
C16 C14 C15 C17 -173.4(4) . . . . ?
C16 C14 C15 N1 3.3(6) . . . . ?
C17 C15 N1 C12 174.0(3) . . . . ?
C17 C15 N1 Dy1 -14.3(4) . . . . ?
C18 C17 N6 C19 3.9(6) . . . . ?
C18 C17 N6 Dy1 -173.8(3) . . . . ?
C19 C20 N5 C22 117.6(4) . . . . ?
C19 C20 N5 Dy1 -53.6(4) . . . . ?
C20 C19 N6 C17 142.0(4) . . . . ?
C20 C19 N6 Dy1 -40.1(4) . . . . ?
C21 C22 C23 C24 2.9(5) . . . . ?
C21 C22 C23 N4 -177.7(3) . . . . ?
C21 C22 N5 C20 5.3(6) . . . . ?
C21 C22 N5 Dy1 175.3(3) . . . . ?
C22 C23 C24 C25 176.4(4) . . . . ?
C22 C23 N4 C27 -178.7(3) . . . . ?
C22 C23 N4 Dy1 0.4(4) . . . . ?
C23 C22 N5 C20 -175.6(3) . . . . ?
C23 C22 N5 Dy1 -5.7(4) . . . . ?
C23 C24 C25 C26 2.5(7) . . . . ?
C24 C23 N4 C27 0.7(5) . . . . ?
C24 C23 N4 Dy1 179.8(3) . . . . ?
C24 C25 C26 C27 0.1(8) . . . . ?
C25 C26 C27 C29 -179.8(4) . . . . ?
C25 C26 C27 N4 -2.5(7) . . . . ?
C26 C27 C29 C28 -6.3(5) . . . . ?
C26 C27 C29 N3 172.8(4) . . . . ?
C26 C27 N4 C23 2.1(5) . . . . ?
C26 C27 N4 Dy1 -177.1(3) . . . . ?
C27 C29 N3 C8 -170.6(4) . . . . ?
C27 C29 N3 Dy1 7.2(5) . . . . ?
C28 C29 N3 C8 8.5(6) . . . . ?
C28 C29 N3 Dy1 -173.7(3) . . . . ?
C29 C27 N4 C23 179.5(3) . . . . ?
C29 C27 N4 Dy1 0.4(4) . . . . ?
C31 C30 O1 Dy1 179.1(4) . . . . ?
C31 C30 O2 Dy1 -179.0(4) . . . . ?
C33 C32 O3 Dy1 -177.1(3) . . . . ?
C33 C32 O4 Dy1 177.1(3) . . . . ?
N1 C12 C13 C16 4.2(6) . . . . ?
N1 C15 C17 C18 -173.3(4) . . . . ?
N1 C15 C17 N6 3.7(5) . . . . ?
N2 C10 C12 C13 171.5(3) . . . . ?
N2 C10 C12 N1 -4.5(4) . . . . ?
N3 C8 C9 N2 65.2(4) . . . . ?
N4 C23 C24 C25 -3.0(6) . . . . ?
N4 C27 C29 C28 176.2(3) . . . . ?
N4 C27 C29 N3 -4.7(5) . . . . ?
N5 C22 C23 C24 -176.2(4) . . . . ?
N5 C22 C23 N4 3.1(5) . . . . ?
N6 C19 C20 N5 61.6(4) . . . . ?
O1 C30 O2 Dy1 2.2(4) . . . . ?
O2 C30 O1 Dy1 -2.1(4) . . . . ?
O3 C32 O4 Dy1 -2.4(3) . . . . ?
O4 C32 O3 Dy1 2.4(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_xj6_22
_database_code_depnum_ccdc_archive 'CCDC 2344767'
loop_
_audit_author_name
_audit_author_address
'Zhang Yuchen'
;Ningxia University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2024-09-12 downloaded from the CCDC.
;
_audit_creation_date             2021-10-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C28 H32 Cl2 Dy N7 O5), 1.5(C6 H2 Cl2 N O3), 2(F6 P), H2 O, 0.5(C6 Cl2 N O3)'
_chemical_formula_sum            'C68 H69 Cl8 Dy2 F12 N16 O17 P2'
_chemical_formula_weight         2280.93
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.6622(7)
_cell_length_b                   18.6466(12)
_cell_length_c                   19.8147(13)
_cell_angle_alpha                105.480(2)
_cell_angle_beta                 91.339(2)
_cell_angle_gamma                103.205(2)
_cell_volume                     4371.7(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9915
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      24.68
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.804
_shelx_estimated_absorpt_T_min   0.774
_exptl_absorpt_coefficient_mu    2.075
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6826
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0833 before and 0.0512 after correction.
The Ratio of minimum to maximum transmission is 0.9161.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2262
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            68773
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.709
_diffrn_reflns_theta_max         24.709
_diffrn_reflns_theta_min         1.659
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12155
_reflns_number_total             14798
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.663
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1285
_refine_ls_number_reflns         14798
_refine_ls_number_restraints     411
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0455P)²+15.1934P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1056
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 Cl7B-C58A = Cl8A-C62A
 1.73 with sigma of 0.01
 O16A-C57C
 1.3 with sigma of 0.01
 N15A-C61A \\sim N15A-C59A
 with sigma of 0.02
 O14A-C60A \\sim O15A-C60A
 with sigma of 0.02
 O16A-C62A \\sim O16A-C58A
 with sigma of 0.02
 Cl7B-C57C \\sim Cl7B-C59A
 with sigma of 0.02
 Cl8A-C57C \\sim Cl8A-C61A
 with sigma of 0.02
 O11C-N16A \\sim O11B-N16
 with sigma of 0.02
 N16-C63 \\sim N16A-C63
 with sigma of 0.02
 O12-N16 \\sim O12A-N16A
 with sigma of 0.02
 O12-O11B \\sim O12A-O11C
 with sigma of 0.02
 N3-C8A \\sim N3-C8
 with sigma of 0.02
 C8A-C10 \\sim C8-C10
 with sigma of 0.02
 C9C-C8A \\sim C9B-C8
 with sigma of 0.02
3. Restrained planarity
 O16A, C58A, C57C, C59A, Cl7B, C62A, C60A, C61A, Cl8A, N15A, O14A, O15A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Cl8 \\sim C58 \\sim C59 \\sim C57 \\sim C60 \\sim O16 \\sim C9 \\sim N15 \\sim
C61 \\sim Cl7 \\sim O14 \\sim O15: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
O16A \\sim C58A \\sim C57C \\sim C59A \\sim Cl7B \\sim C62A \\sim C60A \\sim
C61A \\sim Cl8A \\sim N15A \\sim O14A \\sim O15A: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
N16 \\sim O11B \\sim O12 \\sim N16A \\sim O11C \\sim O12A: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 2A
C8 \\sim C8A \\sim C9C \\sim C9B: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(Cl8) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C60) \\sim Ueq, Uanis(O16) \\sim Ueq, Uanis(C9) \\sim Ueq,
Uanis(N15) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(Cl7) \\sim Ueq, Uanis(O14)
\\sim Ueq, Uanis(O15) \\sim Ueq: with sigma of 0.002 and sigma for terminal
atoms of 0.004
5. Rigid body (RIGU) restrains
 C63, N16, O12, O11B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C63, N16A, O11C, O12A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C10, C8, N3, C9B
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C10, C8A, N3, C9C
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
6. Others
 Sof(N16A)=Sof(O11C)=Sof(O12A)=1-FVAR(1)
 Sof(N16)=Sof(O11B)=Sof(O12)=FVAR(1)
 Sof(C8A)=Sof(C9C)=Sof(H9CA)=Sof(H9CB)=Sof(H9CC)=1-FVAR(2)
 Sof(C8)=Sof(C9B)=Sof(H9BA)=Sof(H9BB)=Sof(H9BC)=FVAR(2)
 Fixed Sof: C57C(0.5) C62A(0.5) C61A(0.5) H61A(0.5) C60A(0.5) C59A(0.5)
 H59A(0.5) C58A(0.5) O16A(0.5) Cl7B(0.5) Cl8A(0.5) N15A(0.5) O14A(0.5)
 O15A(0.5) Cl8(0.5) Cl7(0.5) O14(0.5) O16(0.5) C60(0.5) N15(0.5) O15(0.5)
 C59(0.5) C61(0.5) C58(0.5) C9(0.5) C57(0.5)
7.a Free rotating group:
 O11(H11A,H11B)
7.b Rotating group:
 O4(H4A,H4B), O5(H5D,H5E), O9(H9A,H9B), O10(H10A,H10B)
7.c Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C17(H17A,H17B), C18(H18A,H18B), C34(H34A,H34B),
 C35(H35A,H35B), C45(H45A,H45B), C46(H46A,H46B)
7.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C11(H11), C12(H12), C13(H13), C22(H22), C25(H25), C27(H27),
 C29(H29), C30(H30), C39(H39), C40(H40), C41(H41), C50(H50), C53(H53), C55(H55),
  C64(H64), C68(H68), C61A(H61A), C59A(H59A)
7.e Fitted hexagon refined as free rotating group:
 C57C(C62A,C61A,C60A,C59A,C58A)
7.f Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C9B(H9BA,H9BB,H9BC), C16(H16A,H16B,H16C), C20(H20A,H20B,
 H20C), C33(H33A,H33B,H33C), C37(H37A,H37B,H37C), C44(H44A,H44B,H44C), C48(H48A,
 H48B,H48C), C9C(H9CA,H9CB,H9CC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0397(7) 0.3007(6) 0.3604(5) 0.073(3) Uani 1 1 d . . . . .
H1 H -0.091988 0.329904 0.373998 0.088 Uiso 1 1 calc R U . . .
C2 C -0.0703(6) 0.2286(6) 0.3165(5) 0.064(2) Uani 1 1 d . . . . .
H2 H -0.144806 0.207542 0.299458 0.077 Uiso 1 1 calc R U . . .
C3 C 0.0042(4) 0.1850(4) 0.2958(3) 0.0439(16) Uani 1 1 d . . . . .
C4 C -0.0239(5) 0.1059(4) 0.2482(4) 0.0481(17) Uani 1 1 d . . . . .
C5 C -0.1428(6) 0.0697(6) 0.2211(6) 0.098(3) Uani 1 1 d . . . . .
H5A H -0.187974 0.074221 0.260754 0.147 Uiso 1 1 calc R U . . .
H5B H -0.151531 0.015425 0.196204 0.147 Uiso 1 1 calc R U . . .
H5C H -0.165380 0.096249 0.188804 0.147 Uiso 1 1 calc R U . . .
C6 C 0.0390(5) -0.0002(4) 0.1812(3) 0.0450(16) Uani 1 1 d . . . . .
H6A H -0.038508 -0.028244 0.175856 0.054 Uiso 1 1 calc R U . . .
H6B H 0.083606 -0.030802 0.197149 0.054 Uiso 1 1 calc R U . . .
C7 C 0.0732(5) 0.0131(4) 0.1126(3) 0.0507(17) Uani 1 1 d . . . . .
H7A H 0.077308 -0.035896 0.078982 0.061 Uiso 1 1 calc R U . . .
H7B H 0.019311 0.034135 0.091975 0.061 Uiso 1 1 calc R U . . .
C8 C 0.2315(10) 0.0769(12) 0.0724(6) 0.037(4) Uani 0.54(3) 1 d D U P A 1
C9B C 0.1817(13) 0.0405(15) -0.0032(6) 0.050(4) Uani 0.54(3) 1 d D U P A 1
H9BA H 0.145697 0.075644 -0.018145 0.076 Uiso 0.54(3) 1 calc R U P A 1
H9BB H 0.128173 -0.007679 -0.006176 0.076 Uiso 0.54(3) 1 calc R U P A 1
H9BC H 0.239193 0.029949 -0.033888 0.076 Uiso 0.54(3) 1 calc R U P A 1
C10 C 0.3390(5) 0.1342(4) 0.0897(3) 0.0382(13) Uani 1 1 d D . . . .
C11 C 0.3996(5) 0.1601(4) 0.0391(3) 0.0420(15) Uani 1 1 d . . . . .
H11 H 0.366926 0.151541 -0.006930 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5068(5) 0.1979(4) 0.0570(3) 0.0424(15) Uani 1 1 d . . . . .
H12 H 0.549395 0.216246 0.023508 0.051 Uiso 1 1 calc R U . . .
C13 C 0.5524(5) 0.2093(3) 0.1239(3) 0.0355(13) Uani 1 1 d . . . . .
H13 H 0.627440 0.233477 0.136555 0.043 Uiso 1 1 calc R U . . .
C14 C 0.4867(4) 0.1850(3) 0.1725(3) 0.0265(11) Uani 1 1 d . . . . .
C15 C 0.5270(4) 0.1987(3) 0.2473(3) 0.0272(11) Uani 1 1 d . . . . .
C16 C 0.6475(4) 0.2238(4) 0.2651(3) 0.0374(14) Uani 1 1 d . . . . .
H16A H 0.683179 0.191892 0.229957 0.056 Uiso 1 1 calc R U . . .
H16B H 0.665029 0.218417 0.311674 0.056 Uiso 1 1 calc R U . . .
H16C H 0.673344 0.277636 0.265440 0.056 Uiso 1 1 calc R U . . .
C17 C 0.4781(4) 0.2143(4) 0.3654(3) 0.0372(14) Uani 1 1 d . . . . .
H17A H 0.557750 0.227636 0.377651 0.045 Uiso 1 1 calc R U . . .
H17B H 0.443544 0.172613 0.385789 0.045 Uiso 1 1 calc R U . . .
C18 C 0.4323(5) 0.2836(3) 0.3922(3) 0.0397(14) Uani 1 1 d . . . . .
H18A H 0.436505 0.298196 0.444251 0.048 Uiso 1 1 calc R U . . .
H18B H 0.475175 0.327476 0.377577 0.048 Uiso 1 1 calc R U . . .
C19 C 0.2612(5) 0.3122(3) 0.3869(3) 0.0352(13) Uani 1 1 d . . . . .
C20 C 0.3003(7) 0.3899(4) 0.4372(3) 0.0568(19) Uani 1 1 d . . . . .
H20A H 0.264632 0.391643 0.480731 0.085 Uiso 1 1 calc R U . . .
H20B H 0.282625 0.428262 0.416211 0.085 Uiso 1 1 calc R U . . .
H20C H 0.379348 0.401055 0.447607 0.085 Uiso 1 1 calc R U . . .
C21 C 0.1429(5) 0.2857(4) 0.3623(3) 0.0384(14) Uani 1 1 d . . . . .
C22 C 0.0683(7) 0.3309(4) 0.3849(4) 0.059(2) Uani 1 1 d . . . . .
H22 H 0.091986 0.380963 0.416376 0.071 Uiso 1 1 calc R U . . .
C23 C 0.2231(4) 0.2760(3) 0.1615(3) 0.0331(13) Uani 1 1 d . . . . .
C24 C 0.1361(5) 0.2644(3) 0.1100(3) 0.0395(14) Uani 1 1 d . . . . .
C25 C 0.1399(5) 0.3065(3) 0.0624(3) 0.0387(14) Uani 1 1 d . . . . .
H25 H 0.080582 0.296243 0.028094 0.046 Uiso 1 1 calc R U . . .
C26 C 0.2321(5) 0.3643(3) 0.0657(3) 0.0337(13) Uani 1 1 d . . . . .
C27 C 0.3188(5) 0.3803(3) 0.1153(3) 0.0332(13) Uani 1 1 d . . . . .
H27 H 0.380837 0.420974 0.117430 0.040 Uiso 1 1 calc R U . . .
C28 C 0.3138(4) 0.3366(3) 0.1613(3) 0.0319(12) Uani 1 1 d . . . . .
Cl1 Cl 0.42062(12) 0.35628(8) 0.22541(8) 0.0404(3) Uani 1 1 d . . . . .
Cl2 Cl 0.01830(14) 0.19452(13) 0.10860(12) 0.0739(6) Uani 1 1 d . . . . .
Dy1 Dy 0.25085(2) 0.14845(2) 0.25497(2) 0.02225(8) Uani 1 1 d . . . . .
N1 N 0.1106(4) 0.2145(3) 0.3195(2) 0.0331(11) Uani 1 1 d . . . . .
N2 N 0.0557(4) 0.0759(3) 0.2322(3) 0.0371(11) Uani 1 1 d . . . . .
N3 N 0.1808(4) 0.0679(3) 0.1260(2) 0.0397(11) Uani 1 1 d D . . . .
N4 N 0.3811(3) 0.1490(3) 0.1561(2) 0.0303(10) Uani 1 1 d . . . . .
N5 N 0.4531(3) 0.1908(3) 0.2893(2) 0.0266(10) Uani 1 1 d . . . . .
N6 N 0.3186(4) 0.2648(3) 0.3634(2) 0.0296(10) Uani 1 1 d . . . . .
N7 N 0.2366(5) 0.4099(3) 0.0159(3) 0.0442(13) Uani 1 1 d . . . . .
O1 O 0.2196(3) 0.2356(2) 0.2051(2) 0.0406(10) Uani 1 1 d . . . . .
O2 O 0.3186(4) 0.4627(3) 0.0211(2) 0.0516(12) Uani 1 1 d . . . . .
O3 O 0.1598(4) 0.3934(3) -0.0290(2) 0.0615(13) Uani 1 1 d . . . . .
O4 O 0.2239(3) 0.1047(2) 0.3594(2) 0.0383(9) Uani 1 1 d . . . . .
H4A H 0.155256 0.098138 0.367783 0.058 Uiso 1 1 d R U . . .
H4B H 0.239344 0.061298 0.359711 0.058 Uiso 1 1 d R U . . .
O5 O 0.2954(3) 0.0280(2) 0.2374(2) 0.0396(9) Uani 1 1 d . . . . .
H5D H 0.294153 0.000263 0.268215 0.059 Uiso 1 1 d R U . . .
H5E H 0.317731 0.000173 0.198482 0.059 Uiso 1 1 d R U . . .
C29 C -0.1063(5) 0.6482(4) 0.2385(4) 0.0504(17) Uani 1 1 d . . . . .
H29 H -0.183100 0.635237 0.228331 0.060 Uiso 1 1 calc R U . . .
C30 C -0.0604(5) 0.6227(3) 0.2886(3) 0.0393(14) Uani 1 1 d . . . . .
H30 H -0.104891 0.591672 0.313193 0.047 Uiso 1 1 calc R U . . .
C31 C 0.0518(4) 0.6430(3) 0.3025(3) 0.0303(12) Uani 1 1 d . . . . .
C32 C 0.1083(4) 0.6226(3) 0.3588(3) 0.0297(12) Uani 1 1 d . . . . .
C33 C 0.0403(5) 0.5811(4) 0.4040(3) 0.0419(15) Uani 1 1 d . . . . .
H33A H -0.010837 0.610741 0.425779 0.063 Uiso 1 1 calc R U . . .
H33B H 0.087614 0.574810 0.440735 0.063 Uiso 1 1 calc R U . . .
H33C H -0.000500 0.530488 0.374988 0.063 Uiso 1 1 calc R U . . .
C34 C 0.2707(4) 0.6298(3) 0.4243(3) 0.0312(12) Uani 1 1 d . . . . .
H34A H 0.262869 0.574137 0.416963 0.037 Uiso 1 1 calc R U . . .
H34B H 0.240269 0.650405 0.468856 0.037 Uiso 1 1 calc R U . . .
C35 C 0.3901(4) 0.6704(3) 0.4275(3) 0.0336(13) Uani 1 1 d . . . . .
H35A H 0.399581 0.726695 0.443402 0.040 Uiso 1 1 calc R U . . .
H35B H 0.434133 0.655407 0.460869 0.040 Uiso 1 1 calc R U . . .
C36 C 0.4767(4) 0.5948(3) 0.3401(3) 0.0285(12) Uani 1 1 d . . . . .
C37 C 0.5080(5) 0.5511(4) 0.3871(3) 0.0404(14) Uani 1 1 d . . . . .
H37A H 0.497658 0.497161 0.360472 0.061 Uiso 1 1 calc R U . . .
H37B H 0.462207 0.554725 0.426445 0.061 Uiso 1 1 calc R U . . .
H37C H 0.584607 0.572721 0.405159 0.061 Uiso 1 1 calc R U . . .
C38 C 0.5111(4) 0.5766(3) 0.2666(3) 0.0306(12) Uani 1 1 d . . . . .
C39 C 0.5853(4) 0.5331(3) 0.2460(3) 0.0360(13) Uani 1 1 d . . . . .
H39 H 0.615295 0.511444 0.277956 0.043 Uiso 1 1 calc R U . . .
C40 C 0.6151(5) 0.5216(3) 0.1785(3) 0.0395(14) Uani 1 1 d . . . . .
H40 H 0.666092 0.491726 0.162991 0.047 Uiso 1 1 calc R U . . .
C41 C 0.5699(5) 0.5541(3) 0.1334(3) 0.0406(14) Uani 1 1 d . . . . .
H41 H 0.589360 0.546617 0.086424 0.049 Uiso 1 1 calc R U . . .
C42 C 0.4955(4) 0.5979(3) 0.1576(3) 0.0311(12) Uani 1 1 d . . . . .
C43 C 0.4507(4) 0.6400(3) 0.1142(3) 0.0332(13) Uani 1 1 d . . . . .
C44 C 0.4725(5) 0.6278(4) 0.0383(3) 0.0466(16) Uani 1 1 d . . . . .
H44A H 0.537494 0.666285 0.034418 0.070 Uiso 1 1 calc R U . . .
H44B H 0.409842 0.632817 0.011581 0.070 Uiso 1 1 calc R U . . .
H44C H 0.484481 0.576364 0.019461 0.070 Uiso 1 1 calc R U . . .
C45 C 0.3698(6) 0.7415(4) 0.1102(4) 0.0497(17) Uani 1 1 d . . . . .
H45A H 0.309071 0.713483 0.073521 0.060 Uiso 1 1 calc R U . . .
H45B H 0.432672 0.764082 0.087469 0.060 Uiso 1 1 calc R U . . .
C46 C 0.3356(5) 0.8037(4) 0.1645(4) 0.0485(17) Uani 1 1 d . . . . .
H46A H 0.398282 0.835319 0.198503 0.058 Uiso 1 1 calc R U . . .
H46B H 0.307210 0.837537 0.141663 0.058 Uiso 1 1 calc R U . . .
C47 C 0.1503(5) 0.7567(3) 0.1831(3) 0.0394(14) Uani 1 1 d . . . . .
C48 C 0.1050(6) 0.7881(4) 0.1289(4) 0.0554(18) Uani 1 1 d . . . . .
H48A H 0.076643 0.746295 0.086123 0.083 Uiso 1 1 calc R U . . .
H48B H 0.162963 0.826900 0.117753 0.083 Uiso 1 1 calc R U . . .
H48C H 0.046098 0.811521 0.147664 0.083 Uiso 1 1 calc R U . . .
C49 C 0.0720(5) 0.7100(3) 0.2192(3) 0.0349(13) Uani 1 1 d . . . . .
C50 C -0.0399(5) 0.6924(4) 0.2036(3) 0.0467(16) Uani 1 1 d . . . . .
H50 H -0.070163 0.710800 0.169162 0.056 Uiso 1 1 calc R U . . .
C51 C 0.1450(4) 0.5168(3) 0.1856(3) 0.0289(12) Uani 1 1 d . . . . .
C52 C 0.0738(4) 0.5138(3) 0.1275(3) 0.0340(13) Uani 1 1 d . . . . .
C53 C -0.0247(5) 0.4612(4) 0.1092(3) 0.0438(15) Uani 1 1 d . . . . .
H53 H -0.071672 0.461059 0.071048 0.053 Uiso 1 1 calc R U . . .
C54 C -0.0548(5) 0.4089(4) 0.1469(3) 0.0469(16) Uani 1 1 d . . . . .
C55 C 0.0121(5) 0.4066(3) 0.2025(3) 0.0391(14) Uani 1 1 d . . . . .
H55 H -0.010298 0.369639 0.227630 0.047 Uiso 1 1 calc R U . . .
C56 C 0.1106(5) 0.4585(3) 0.2204(3) 0.0354(13) Uani 1 1 d . . . . .
Cl3 Cl 0.11749(14) 0.57675(9) 0.07838(8) 0.0460(4) Uani 1 1 d . . . . .
Cl4 Cl 0.19865(12) 0.45548(8) 0.28676(7) 0.0389(3) Uani 1 1 d . . . . .
Dy2 Dy 0.32460(2) 0.68617(2) 0.26700(2) 0.02728(8) Uani 1 1 d . . . . .
N8 N 0.1178(4) 0.6850(3) 0.2675(2) 0.0306(10) Uani 1 1 d . . . . .
N9 N 0.2126(3) 0.6430(2) 0.3652(2) 0.0271(9) Uani 1 1 d . . . . .
N10 N 0.4251(3) 0.6474(2) 0.3561(2) 0.0277(10) Uani 1 1 d . . . . .
N11 N 0.4660(3) 0.6087(2) 0.2235(2) 0.0282(10) Uani 1 1 d . . . . .
N12 N 0.3998(4) 0.6889(3) 0.1466(3) 0.0377(12) Uani 1 1 d . . . . .
N13 N 0.2502(4) 0.7650(3) 0.2005(3) 0.0379(11) Uani 1 1 d . . . . .
N14 N -0.1598(5) 0.3523(4) 0.1285(4) 0.0690(19) Uani 1 1 d . . . . .
O6 O 0.2357(3) 0.5688(2) 0.20527(18) 0.0313(8) Uani 1 1 d . . . . .
O7 O -0.2177(5) 0.3544(5) 0.0784(4) 0.116(3) Uani 1 1 d . . . . .
O8 O -0.1840(4) 0.3055(4) 0.1617(3) 0.0813(18) Uani 1 1 d . . . . .
O9 O 0.3373(3) 0.7988(2) 0.3598(2) 0.0455(10) Uani 1 1 d . . . . .
H9A H 0.276406 0.816416 0.359063 0.068 Uiso 1 1 d R U . . .
H9B H 0.390052 0.838185 0.354323 0.068 Uiso 1 1 d R U . . .
O10 O 0.5076(4) 0.7754(2) 0.2871(2) 0.0514(11) Uani 1 1 d . . . . .
H10A H 0.541865 0.768434 0.247305 0.077 Uiso 1 1 d R U . . .
H10B H 0.551736 0.764583 0.317304 0.077 Uiso 1 1 d R U . . .
C63 C -0.1346(6) -0.2227(4) 0.4124(4) 0.0597(18) Uani 1 1 d D . . . .
C64 C -0.1022(6) -0.1828(4) 0.3633(4) 0.062(2) Uani 1 1 d . . . . .
H64 H -0.154449 -0.177846 0.330769 0.075 Uiso 1 1 calc R U . . .
C65 C 0.0051(6) -0.1513(4) 0.3625(3) 0.0507(17) Uani 1 1 d . . . . .
C66 C 0.0879(6) -0.1581(3) 0.4080(3) 0.0465(16) Uani 1 1 d . . . . .
C67 C 0.0487(6) -0.2023(4) 0.4547(3) 0.0494(16) Uani 1 1 d . . . . .
C68 C -0.0595(6) -0.2325(4) 0.4586(3) 0.0510(17) Uani 1 1 d . . . . .
H68 H -0.082311 -0.259556 0.492260 0.061 Uiso 1 1 calc R U . . .
Cl5 Cl 0.04712(17) -0.09905(11) 0.30291(10) 0.0647(5) Uani 1 1 d . . . . .
Cl6 Cl 0.14591(17) -0.21527(12) 0.51017(11) 0.0688(5) Uani 1 1 d . . . . .
N16 N -0.2459(8) -0.2670(7) 0.4074(7) 0.064(3) Uani 0.630(15) 1 d D U P B 1
O11B O -0.3044(8) -0.2708(7) 0.3556(6) 0.075(3) Uani 0.630(15) 1 d D U P B 1
O12 O -0.2786(15) -0.2967(8) 0.4533(7) 0.070(3) Uani 0.630(15) 1 d D U P B 1
O13 O 0.1896(4) -0.1279(3) 0.4059(3) 0.0593(13) Uani 1 1 d . . . . .
F1 F 0.2582(4) 0.1061(3) -0.1332(2) 0.0786(14) Uani 1 1 d . . . . .
F2 F 0.2332(7) 0.1305(4) -0.2339(3) 0.158(3) Uani 1 1 d . . . . .
F3 F 0.3891(4) 0.1848(4) -0.1694(4) 0.135(3) Uani 1 1 d . . . . .
F4 F 0.2801(6) 0.2553(4) -0.1830(4) 0.144(3) Uani 1 1 d . . . . .
F5 F 0.3050(5) 0.2323(3) -0.0796(3) 0.1099(19) Uani 1 1 d . . . . .
F6 F 0.1470(4) 0.1782(4) -0.1442(5) 0.138(3) Uani 1 1 d . . . . .
P1 P 0.26819(14) 0.18196(12) -0.15685(11) 0.0566(5) Uani 1 1 d . . . . .
F7 F 0.6426(3) 0.40760(19) 0.33552(16) 0.0394(8) Uani 1 1 d . . . . .
F8 F 0.8255(3) 0.4243(2) 0.34264(18) 0.0442(8) Uani 1 1 d . . . . .
F9 F 0.7243(3) 0.35457(17) 0.40654(16) 0.0373(7) Uani 1 1 d . . . . .
F10 F 0.8333(3) 0.47134(19) 0.46077(17) 0.0419(8) Uani 1 1 d . . . . .
F11 F 0.7528(3) 0.52424(17) 0.39008(17) 0.0377(7) Uani 1 1 d . . . . .
F12 F 0.6499(3) 0.45387(18) 0.45369(16) 0.0380(7) Uani 1 1 d . . . . .
P2 P 0.73838(11) 0.43943(8) 0.39828(7) 0.0281(3) Uani 1 1 d . . . . .
O11 O 0.3108(5) -0.0179(3) 0.3537(3) 0.0652(14) Uani 1 1 d G . . . .
H11A H 0.268329 -0.054184 0.367177 0.098 Uiso 1 1 d G U . . .
H11B H 0.375432 -0.025948 0.357511 0.098 Uiso 1 1 d G U . . .
C57C C 0.6125(5) 0.0329(4) -0.0610(3) 0.054(4) Uani 0.5 1 d DG U P C -1
C62A C 0.5050(6) -0.0067(4) -0.0835(3) 0.052(3) Uani 0.5 1 d DG U P C -1
C61A C 0.4359(5) -0.0305(5) -0.0360(4) 0.054(3) Uani 0.5 1 d DG U P C -1
H61A H 0.362455 -0.057538 -0.051366 0.064 Uiso 0.5 1 calc R U P C -1
C60A C 0.4743(6) -0.0148(6) 0.0340(3) 0.052(3) Uani 0.5 1 d DG U P C -1
C59A C 0.5818(6) 0.0248(5) 0.0565(3) 0.049(3) Uani 0.5 1 d DG U P C -1
H59A H 0.607985 0.035518 0.104362 0.059 Uiso 0.5 1 calc R U P C -1
C58A C 0.6508(5) 0.0486(4) 0.0090(3) 0.053(3) Uani 0.5 1 d DG U P C -1
O16A O 0.6806(7) 0.0552(5) -0.1043(5) 0.050(2) Uani 0.5 1 d D U P C -1
Cl7B Cl 0.7797(3) 0.1070(2) 0.0394(2) 0.0786(12) Uani 0.5 1 d D U P C -1
Cl8A Cl 0.4534(3) -0.0185(2) -0.16799(18) 0.0584(9) Uani 0.5 1 d D U P C -1
N15A N 0.4056(12) -0.0381(8) 0.0826(8) 0.063(3) Uani 0.5 1 d D U P C -1
O14A O 0.4341(8) -0.0268(5) 0.1431(4) 0.049(2) Uani 0.5 1 d D U P C -1
O15A O 0.3008(13) -0.0804(8) 0.0527(8) 0.106(5) Uani 0.5 1 d D U P C -1
Cl8 Cl 0.6119(3) -0.1405(2) 0.48120(19) 0.0581(9) Uani 0.5 1 d . U P D -1
Cl7 Cl 0.5884(3) 0.0565(3) 0.3301(3) 0.0800(12) Uani 0.5 1 d . U P D -1
O14 O 1.0030(5) 0.0809(4) 0.3983(4) 0.0244(15) Uani 0.5 1 d . U P D -1
O16 O 0.5000(6) -0.0613(4) 0.3965(4) 0.0340(17) Uani 0.5 1 d . U P D -1
C60 C 0.8364(7) 0.0085(5) 0.4191(5) 0.0197(17) Uani 0.5 1 d . U P D -1
N15 N 0.9506(7) 0.0399(5) 0.4219(4) 0.0273(18) Uani 0.5 1 d . U P D -1
O15 O 1.0067(7) 0.0140(5) 0.4646(5) 0.056(2) Uani 0.5 1 d . U P D -1
C59 C 0.7897(9) -0.0446(6) 0.4527(6) 0.035(2) Uani 0.5 1 d . U P D -1
C61 C 0.7781(10) 0.0397(7) 0.3823(7) 0.043(2) Uani 0.5 1 d . U P D -1
C58 C 0.6743(9) -0.0700(7) 0.4438(6) 0.037(2) Uani 0.5 1 d . U P D -1
C9 C 0.6642(10) 0.0168(7) 0.3760(7) 0.046(2) Uani 0.5 1 d . U P D -1
C57 C 0.6046(10) -0.0400(7) 0.4068(6) 0.040(2) Uani 0.5 1 d . U P D -1
N16A N -0.2503(11) -0.2373(14) 0.4262(12) 0.066(3) Uani 0.370(15) 1 d D U P B 2
O11C O -0.3228(13) -0.2225(12) 0.3925(11) 0.078(4) Uani 0.370(15) 1 d D U P B 2
O12A O -0.274(3) -0.2728(14) 0.4702(12) 0.072(5) Uani 0.370(15) 1 d D U P B 2
C8A C 0.2209(11) 0.0970(14) 0.0768(7) 0.039(4) Uani 0.46(3) 1 d D U P A 2
C9C C 0.1687(14) 0.0820(16) 0.0031(8) 0.045(4) Uani 0.46(3) 1 d D U P A 2
H9CA H 0.155515 0.129682 -0.003186 0.068 Uiso 0.46(3) 1 calc R U P A 2
H9CB H 0.099453 0.043328 -0.003956 0.068 Uiso 0.46(3) 1 calc R U P A 2
H9CC H 0.217586 0.063221 -0.031328 0.068 Uiso 0.46(3) 1 calc R U P A 2


_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
C1 H1 0.9500 . ?
C1 C2 1.354(12) . ?
C1 C22 1.377(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(10) . ?
C3 C4 1.482(10) . ?
C3 N1 1.352(7) . ?
C4 C5 1.521(9) . ?
C4 N2 1.268(8) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.501(9) . ?
C6 N2 1.472(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 N3 1.475(7) . ?
C8 C9B 1.523(12) . ?
C8 C10 1.493(12) . ?
C8 N3 1.282(12) . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10 C11 1.396(8) . ?
C10 N4 1.341(7) . ?
C10 C8A 1.482(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.369(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.376(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.387(7) . ?
C14 C15 1.491(7) . ?
C14 N4 1.341(6) . ?
C15 C16 1.494(7) . ?
C15 N5 1.275(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.509(9) . ?
C17 N5 1.459(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 N6 1.465(7) . ?
C19 C20 1.488(8) . ?
C19 C21 1.492(9) . ?
C19 N6 1.271(7) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.409(9) . ?
C21 N1 1.335(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.423(8) . ?
C23 C28 1.416(8) . ?
C23 O1 1.283(6) . ?
C24 C25 1.376(8) . ?
C24 Cl2 1.736(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(8) . ?
C26 C27 1.379(8) . ?
C26 N7 1.459(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.371(8) . ?
C28 Cl1 1.738(5) . ?
Dy1 N1 2.564(4) . ?
Dy1 N2 2.498(4) . ?
Dy1 N3 2.610(4) . ?
Dy1 N4 2.591(4) . ?
Dy1 N5 2.521(4) . ?
Dy1 N6 2.576(4) . ?
Dy1 O1 2.215(4) . ?
Dy1 O4 2.423(4) . ?
Dy1 O5 2.378(4) . ?
N3 C8A 1.295(13) . ?
N7 O2 1.237(7) . ?
N7 O3 1.228(7) . ?
O4 H4A 0.8755 . ?
O4 H4B 0.8764 . ?
O5 H5D 0.8967 . ?
O5 H5E 0.8992 . ?
C29 H29 0.9500 . ?
C29 C30 1.379(9) . ?
C29 C50 1.372(9) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(8) . ?
C31 C32 1.488(7) . ?
C31 N8 1.345(7) . ?
C32 C33 1.497(7) . ?
C32 N9 1.281(7) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.519(8) . ?
C34 N9 1.472(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 N10 1.474(7) . ?
C36 C37 1.491(7) . ?
C36 C38 1.503(8) . ?
C36 N10 1.276(7) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.378(8) . ?
C38 N11 1.348(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.373(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.385(9) . ?
C41 H41 0.9500 . ?
C41 C42 1.396(8) . ?
C42 C43 1.490(8) . ?
C42 N11 1.342(7) . ?
C43 C44 1.502(8) . ?
C43 N12 1.279(8) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.509(10) . ?
C45 N12 1.469(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N13 1.467(8) . ?
C47 C48 1.512(8) . ?
C47 C49 1.492(8) . ?
C47 N13 1.267(8) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.386(8) . ?
C49 N8 1.344(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.427(7) . ?
C51 C56 1.430(8) . ?
C51 O6 1.296(6) . ?
C52 C53 1.371(8) . ?
C52 Cl3 1.723(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(9) . ?
C54 C55 1.390(9) . ?
C54 N14 1.465(8) . ?
C55 H55 0.9500 . ?
C55 C56 1.365(8) . ?
C56 Cl4 1.724(6) . ?
Dy2 N8 2.613(4) . ?
Dy2 N9 2.625(4) . ?
Dy2 N10 2.501(4) . ?
Dy2 N11 2.574(5) . ?
Dy2 N12 2.598(5) . ?
Dy2 N13 2.529(5) . ?
Dy2 O6 2.221(3) . ?
Dy2 O9 2.364(4) . ?
Dy2 O10 2.478(4) . ?
N14 O7 1.233(9) . ?
N14 O8 1.216(8) . ?
O9 H9A 0.9060 . ?
O9 H9B 0.9060 . ?
O10 H10A 0.9014 . ?
O10 H10B 0.9018 . ?
C63 C64 1.391(9) . ?
C63 C68 1.380(10) . ?
C63 N16 1.447(11) . ?
C63 N16A 1.473(15) . ?
C64 H64 0.9500 . ?
C64 C65 1.354(10) . ?
C65 C66 1.416(10) . ?
C65 Cl5 1.742(6) . ?
C66 C67 1.423(9) . ?
C66 O13 1.289(8) . ?
C67 C68 1.370(10) . ?
C67 Cl6 1.730(7) . ?
C68 H68 0.9500 . ?
N16 O11B 1.228(11) . ?
N16 O12 1.219(11) . ?
F1 P1 1.584(5) . ?
F2 P1 1.562(6) . ?
F3 P1 1.548(6) . ?
F4 P1 1.565(5) . ?
F5 P1 1.563(6) . ?
F6 P1 1.549(6) . ?
F7 P2 1.605(3) . ?
F8 P2 1.595(3) . ?
F9 P2 1.604(3) . ?
F10 P2 1.595(3) . ?
F11 P2 1.602(3) . ?
F12 P2 1.604(3) . ?
O11 H11A 0.8696 . ?
O11 H11B 0.8699 . ?
C57C C62A 1.3900 . ?
C57C C58A 1.3900 . ?
C57C O16A 1.310(8) . ?
C62A C61A 1.3900 . ?
C62A Cl8A 1.722(6) . ?
C61A H61A 0.9500 . ?
C61A C60A 1.3900 . ?
C60A C59A 1.3900 . ?
C60A N15A 1.400(15) . ?
C59A H59A 0.9500 . ?
C59A C58A 1.3900 . ?
C58A Cl7B 1.732(6) . ?
N15A O14A 1.193(16) . ?
N15A O15A 1.40(2) . ?
Cl8 C58 1.726(12) . ?
Cl7 C9 1.715(13) . ?
O14 N15 1.103(10) . ?
O16 C57 1.287(14) . ?
C60 N15 1.424(12) . ?
C60 C59 1.370(15) . ?
C60 C61 1.346(16) . ?
N15 O15 1.342(13) . ?
C59 C58 1.421(16) . ?
C61 C9 1.400(17) . ?
C58 C57 1.429(17) . ?
C9 C57 1.437(17) . ?
N16A O11C 1.244(15) . ?
N16A O12A 1.233(14) . ?
C8A C9C 1.518(13) . ?
C9C H9CA 0.9800 . ?
C9C H9CB 0.9800 . ?
C9C H9CC 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 H1 120.5 . . ?
C2 C1 C22 119.0(7) . . ?
C22 C1 H1 120.5 . . ?
C1 C2 H2 119.2 . . ?
C1 C2 C3 121.6(7) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 C4 124.2(6) . . ?
N1 C3 C2 119.8(7) . . ?
N1 C3 C4 116.0(5) . . ?
C3 C4 C5 118.0(7) . . ?
N2 C4 C3 115.7(5) . . ?
N2 C4 C5 126.3(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
H6A C6 H6B 108.6 . . ?
C7 C6 H6A 110.4 . . ?
C7 C6 H6B 110.4 . . ?
N2 C6 H6A 110.4 . . ?
N2 C6 H6B 110.4 . . ?
N2 C6 C7 106.8(5) . . ?
C6 C7 H7A 110.0 . . ?
C6 C7 H7B 110.0 . . ?
H7A C7 H7B 108.4 . . ?
N3 C7 C6 108.4(5) . . ?
N3 C7 H7A 110.0 . . ?
N3 C7 H7B 110.0 . . ?
C10 C8 C9B 121.5(9) . . ?
N3 C8 C9B 123.4(10) . . ?
N3 C8 C10 114.6(9) . . ?
C8 C9B H9BA 109.5 . . ?
C8 C9B H9BB 109.5 . . ?
C8 C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C11 C10 C8 123.4(6) . . ?
C11 C10 C8A 122.9(7) . . ?
N4 C10 C8 113.8(6) . . ?
N4 C10 C11 122.0(5) . . ?
N4 C10 C8A 114.7(6) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 C10 118.8(5) . . ?
C12 C11 H11 120.6 . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.6(5) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 120.6 . . ?
C12 C13 C14 118.8(5) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 C15 122.8(5) . . ?
N4 C14 C13 122.3(5) . . ?
N4 C14 C15 114.9(4) . . ?
C14 C15 C16 117.0(5) . . ?
N5 C15 C14 115.3(4) . . ?
N5 C15 C16 127.6(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
H17A C17 H17B 108.8 . . ?
C18 C17 H17A 110.7 . . ?
C18 C17 H17B 110.7 . . ?
N5 C17 H17A 110.7 . . ?
N5 C17 H17B 110.7 . . ?
N5 C17 C18 105.4(4) . . ?
C17 C18 H18A 109.9 . . ?
C17 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
N6 C18 C17 108.8(4) . . ?
N6 C18 H18A 109.9 . . ?
N6 C18 H18B 109.9 . . ?
C20 C19 C21 117.7(6) . . ?
N6 C19 C20 126.4(6) . . ?
N6 C19 C21 115.9(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C19 122.7(6) . . ?
N1 C21 C19 115.7(5) . . ?
N1 C21 C22 121.5(6) . . ?
C1 C22 C21 118.3(7) . . ?
C1 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C28 C23 C24 114.3(5) . . ?
O1 C23 C24 123.0(5) . . ?
O1 C23 C28 122.7(5) . . ?
C23 C24 Cl2 118.0(4) . . ?
C25 C24 C23 123.4(5) . . ?
C25 C24 Cl2 118.5(4) . . ?
C24 C25 H25 120.8 . . ?
C24 C25 C26 118.3(5) . . ?
C26 C25 H25 120.8 . . ?
C25 C26 N7 118.8(5) . . ?
C27 C26 C25 121.7(5) . . ?
C27 C26 N7 119.4(5) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 C26 118.8(5) . . ?
C28 C27 H27 120.6 . . ?
C23 C28 Cl1 116.5(4) . . ?
C27 C28 C23 123.4(5) . . ?
C27 C28 Cl1 120.0(4) . . ?
N1 Dy1 N3 113.14(15) . . ?
N1 Dy1 N4 143.97(14) . . ?
N1 Dy1 N6 61.50(15) . . ?
N2 Dy1 N1 62.48(16) . . ?
N2 Dy1 N3 62.65(15) . . ?
N2 Dy1 N4 122.66(15) . . ?
N2 Dy1 N5 164.35(15) . . ?
N2 Dy1 N6 121.55(15) . . ?
N4 Dy1 N3 60.03(14) . . ?
N5 Dy1 N1 124.37(15) . . ?
N5 Dy1 N3 118.89(14) . . ?
N5 Dy1 N4 61.67(13) . . ?
N5 Dy1 N6 62.88(14) . . ?
N6 Dy1 N3 160.56(15) . . ?
N6 Dy1 N4 112.06(13) . . ?
O1 Dy1 N1 69.89(14) . . ?
O1 Dy1 N2 92.08(15) . . ?
O1 Dy1 N3 77.00(16) . . ?
O1 Dy1 N4 74.21(15) . . ?
O1 Dy1 N5 103.49(14) . . ?
O1 Dy1 N6 83.77(15) . . ?
O1 Dy1 O4 142.97(15) . . ?
O1 Dy1 O5 146.13(15) . . ?
O4 Dy1 N1 74.06(14) . . ?
O4 Dy1 N2 78.43(14) . . ?
O4 Dy1 N3 126.34(15) . . ?
O4 Dy1 N4 140.52(14) . . ?
O4 Dy1 N5 89.83(14) . . ?
O4 Dy1 N6 71.75(13) . . ?
O5 Dy1 N1 136.65(14) . . ?
O5 Dy1 N2 87.12(15) . . ?
O5 Dy1 N3 72.62(15) . . ?
O5 Dy1 N4 77.84(14) . . ?
O5 Dy1 N5 79.06(14) . . ?
O5 Dy1 N6 124.93(14) . . ?
O5 Dy1 O4 69.83(14) . . ?
C3 N1 Dy1 118.1(4) . . ?
C21 N1 C3 119.8(5) . . ?
C21 N1 Dy1 119.9(4) . . ?
C4 N2 C6 120.7(5) . . ?
C4 N2 Dy1 124.3(4) . . ?
C6 N2 Dy1 112.9(3) . . ?
C7 N3 Dy1 118.8(4) . . ?
C8 N3 C7 117.4(6) . . ?
C8 N3 Dy1 123.6(6) . . ?
C8A N3 C7 120.0(7) . . ?
C8A N3 Dy1 116.3(8) . . ?
C10 N4 C14 118.4(5) . . ?
C10 N4 Dy1 119.1(4) . . ?
C14 N4 Dy1 119.6(3) . . ?
C15 N5 C17 122.1(4) . . ?
C15 N5 Dy1 125.7(3) . . ?
C17 N5 Dy1 111.9(3) . . ?
C18 N6 Dy1 118.9(3) . . ?
C19 N6 C18 118.4(5) . . ?
C19 N6 Dy1 122.0(4) . . ?
O2 N7 C26 117.7(5) . . ?
O3 N7 C26 118.4(5) . . ?
O3 N7 O2 123.9(5) . . ?
C23 O1 Dy1 160.3(4) . . ?
Dy1 O4 H4A 109.8 . . ?
Dy1 O4 H4B 118.7 . . ?
H4A O4 H4B 104.3 . . ?
Dy1 O5 H5D 127.9 . . ?
Dy1 O5 H5E 127.6 . . ?
H5D O5 H5E 104.5 . . ?
C30 C29 H29 120.4 . . ?
C50 C29 H29 120.4 . . ?
C50 C29 C30 119.3(6) . . ?
C29 C30 H30 120.6 . . ?
C29 C30 C31 118.8(6) . . ?
C31 C30 H30 120.6 . . ?
C30 C31 C32 122.6(5) . . ?
N8 C31 C30 122.4(5) . . ?
N8 C31 C32 114.9(5) . . ?
C31 C32 C33 118.4(5) . . ?
N9 C32 C31 116.6(5) . . ?
N9 C32 C33 125.0(5) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
H34A C34 H34B 108.5 . . ?
C35 C34 H34A 110.1 . . ?
C35 C34 H34B 110.1 . . ?
N9 C34 H34A 110.1 . . ?
N9 C34 H34B 110.1 . . ?
N9 C34 C35 107.8(4) . . ?
C34 C35 H35A 110.2 . . ?
C34 C35 H35B 110.2 . . ?
H35A C35 H35B 108.5 . . ?
N10 C35 C34 107.4(4) . . ?
N10 C35 H35A 110.2 . . ?
N10 C35 H35B 110.2 . . ?
C37 C36 C38 117.2(5) . . ?
N10 C36 C37 126.7(5) . . ?
N10 C36 C38 116.1(5) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C36 122.6(5) . . ?
N11 C38 C36 114.3(5) . . ?
N11 C38 C39 123.1(5) . . ?
C38 C39 H39 120.6 . . ?
C40 C39 C38 118.8(5) . . ?
C40 C39 H39 120.6 . . ?
C39 C40 H40 120.4 . . ?
C39 C40 C41 119.1(6) . . ?
C41 C40 H40 120.4 . . ?
C40 C41 H41 120.4 . . ?
C40 C41 C42 119.3(6) . . ?
C42 C41 H41 120.4 . . ?
C41 C42 C43 122.3(5) . . ?
N11 C42 C41 121.5(5) . . ?
N11 C42 C43 116.0(5) . . ?
C42 C43 C44 120.3(5) . . ?
N12 C43 C42 116.0(5) . . ?
N12 C43 C44 123.6(5) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
H45A C45 H45B 108.5 . . ?
C46 C45 H45A 110.2 . . ?
C46 C45 H45B 110.2 . . ?
N12 C45 H45A 110.2 . . ?
N12 C45 H45B 110.2 . . ?
N12 C45 C46 107.5(5) . . ?
C45 C46 H46A 110.4 . . ?
C45 C46 H46B 110.4 . . ?
H46A C46 H46B 108.6 . . ?
N13 C46 C45 106.6(5) . . ?
N13 C46 H46A 110.4 . . ?
N13 C46 H46B 110.4 . . ?
C49 C47 C48 118.3(5) . . ?
N13 C47 C48 126.0(6) . . ?
N13 C47 C49 115.7(5) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C47 122.8(5) . . ?
N8 C49 C47 115.0(5) . . ?
N8 C49 C50 122.2(6) . . ?
C29 C50 C49 119.1(6) . . ?
C29 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
C52 C51 C56 115.9(5) . . ?
O6 C51 C52 122.0(5) . . ?
O6 C51 C56 122.1(5) . . ?
C51 C52 Cl3 117.8(4) . . ?
C53 C52 C51 121.8(5) . . ?
C53 C52 Cl3 120.4(4) . . ?
C52 C53 H53 120.4 . . ?
C52 C53 C54 119.1(6) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 C55 122.2(5) . . ?
C53 C54 N14 120.2(6) . . ?
C55 C54 N14 117.6(6) . . ?
C54 C55 H55 120.7 . . ?
C56 C55 C54 118.7(6) . . ?
C56 C55 H55 120.7 . . ?
C51 C56 Cl4 117.6(4) . . ?
C55 C56 C51 122.1(5) . . ?
C55 C56 Cl4 120.4(5) . . ?
N8 Dy2 N9 60.34(13) . . ?
N10 Dy2 N8 123.47(14) . . ?
N10 Dy2 N9 63.13(13) . . ?
N10 Dy2 N11 62.39(14) . . ?
N10 Dy2 N12 121.02(15) . . ?
N10 Dy2 N13 162.74(15) . . ?
N11 Dy2 N8 145.96(13) . . ?
N11 Dy2 N9 113.91(13) . . ?
N11 Dy2 N12 61.51(15) . . ?
N12 Dy2 N8 112.89(14) . . ?
N12 Dy2 N9 162.51(14) . . ?
N13 Dy2 N8 61.01(15) . . ?
N13 Dy2 N9 118.39(15) . . ?
N13 Dy2 N11 124.87(15) . . ?
N13 Dy2 N12 63.36(16) . . ?
O6 Dy2 N8 74.07(14) . . ?
O6 Dy2 N9 80.67(13) . . ?
O6 Dy2 N10 97.07(14) . . ?
O6 Dy2 N11 71.89(13) . . ?
O6 Dy2 N12 81.92(14) . . ?
O6 Dy2 N13 100.14(14) . . ?
O6 Dy2 O9 151.01(14) . . ?
O6 Dy2 O10 141.35(15) . . ?
O9 Dy2 N8 81.38(14) . . ?
O9 Dy2 N9 73.81(14) . . ?
O9 Dy2 N10 83.64(14) . . ?
O9 Dy2 N11 131.33(14) . . ?
O9 Dy2 N12 122.56(15) . . ?
O9 Dy2 N13 80.65(15) . . ?
O9 Dy2 O10 67.05(15) . . ?
O10 Dy2 N8 141.54(15) . . ?
O10 Dy2 N9 125.31(14) . . ?
O10 Dy2 N10 75.69(14) . . ?
O10 Dy2 N11 71.23(14) . . ?
O10 Dy2 N12 70.68(15) . . ?
O10 Dy2 N13 91.55(15) . . ?
C31 N8 Dy2 120.6(3) . . ?
C49 N8 C31 118.2(5) . . ?
C49 N8 Dy2 119.2(4) . . ?
C32 N9 C34 118.1(4) . . ?
C32 N9 Dy2 122.2(3) . . ?
C34 N9 Dy2 118.9(3) . . ?
C35 N10 Dy2 113.5(3) . . ?
C36 N10 C35 120.0(4) . . ?
C36 N10 Dy2 123.4(3) . . ?
C38 N11 Dy2 120.3(3) . . ?
C42 N11 C38 118.2(5) . . ?
C42 N11 Dy2 121.5(4) . . ?
C43 N12 C45 118.7(5) . . ?
C43 N12 Dy2 122.1(4) . . ?
C45 N12 Dy2 118.6(4) . . ?
C46 N13 Dy2 110.9(4) . . ?
C47 N13 C46 121.2(5) . . ?
C47 N13 Dy2 125.1(4) . . ?
O7 N14 C54 116.9(7) . . ?
O8 N14 C54 119.1(6) . . ?
O8 N14 O7 123.9(6) . . ?
C51 O6 Dy2 149.5(4) . . ?
Dy2 O9 H9A 111.3 . . ?
Dy2 O9 H9B 111.2 . . ?
H9A O9 H9B 102.8 . . ?
Dy2 O10 H10A 110.5 . . ?
Dy2 O10 H10B 111.2 . . ?
H10A O10 H10B 103.1 . . ?
C64 C63 N16 120.0(8) . . ?
C64 C63 N16A 117.8(11) . . ?
C68 C63 C64 121.3(7) . . ?
C68 C63 N16 117.7(7) . . ?
C68 C63 N16A 119.2(10) . . ?
C63 C64 H64 120.5 . . ?
C65 C64 C63 119.0(7) . . ?
C65 C64 H64 120.5 . . ?
C64 C65 C66 123.7(6) . . ?
C64 C65 Cl5 119.7(6) . . ?
C66 C65 Cl5 116.7(5) . . ?
C65 C66 C67 114.0(6) . . ?
O13 C66 C65 122.4(6) . . ?
O13 C66 C67 123.5(7) . . ?
C66 C67 Cl6 116.5(6) . . ?
C68 C67 C66 123.6(7) . . ?
C68 C67 Cl6 119.9(5) . . ?
C63 C68 H68 120.9 . . ?
C67 C68 C63 118.2(6) . . ?
C67 C68 H68 120.9 . . ?
O11B N16 C63 116.0(10) . . ?
O12 N16 C63 121.0(12) . . ?
O12 N16 O11B 123.0(10) . . ?
F2 P1 F1 88.4(3) . . ?
F2 P1 F4 89.8(4) . . ?
F2 P1 F5 178.7(5) . . ?
F3 P1 F1 90.2(3) . . ?
F3 P1 F2 90.0(5) . . ?
F3 P1 F4 88.3(4) . . ?
F3 P1 F5 89.1(4) . . ?
F3 P1 F6 179.4(4) . . ?
F4 P1 F1 177.6(4) . . ?
F5 P1 F1 90.8(3) . . ?
F5 P1 F4 91.1(4) . . ?
F6 P1 F1 89.2(3) . . ?
F6 P1 F2 89.9(5) . . ?
F6 P1 F4 92.3(4) . . ?
F6 P1 F5 91.0(4) . . ?
F8 P2 F7 89.92(19) . . ?
F8 P2 F9 90.13(18) . . ?
F8 P2 F11 89.78(18) . . ?
F8 P2 F12 179.4(2) . . ?
F9 P2 F7 90.23(18) . . ?
F10 P2 F7 179.8(2) . . ?
F10 P2 F8 90.27(19) . . ?
F10 P2 F9 89.93(18) . . ?
F10 P2 F11 89.94(18) . . ?
F10 P2 F12 90.24(19) . . ?
F11 P2 F7 89.90(18) . . ?
F11 P2 F9 179.8(2) . . ?
F11 P2 F12 90.54(18) . . ?
F12 P2 F7 89.57(18) . . ?
F12 P2 F9 89.54(18) . . ?
H11A O11 H11B 104.5 . . ?
C62A C57C C58A 120.0 . . ?
O16A C57C C62A 121.8(6) . . ?
O16A C57C C58A 118.2(6) . . ?
C57C C62A Cl8A 120.2(4) . . ?
C61A C62A C57C 120.0 . . ?
C61A C62A Cl8A 119.5(4) . . ?
C62A C61A H61A 120.0 . . ?
C60A C61A C62A 120.0 . . ?
C60A C61A H61A 120.0 . . ?
C61A C60A C59A 120.0 . . ?
C61A C60A N15A 120.7(6) . . ?
C59A C60A N15A 119.3(6) . . ?
C60A C59A H59A 120.0 . . ?
C58A C59A C60A 120.0 . . ?
C58A C59A H59A 120.0 . . ?
C57C C58A Cl7B 120.1(4) . . ?
C59A C58A C57C 120.0 . . ?
C59A C58A Cl7B 119.5(4) . . ?
C60A N15A O15A 113.7(12) . . ?
O14A N15A C60A 123.7(12) . . ?
O14A N15A O15A 122.5(15) . . ?
C59 C60 N15 124.4(9) . . ?
C61 C60 N15 112.4(9) . . ?
C61 C60 C59 123.2(10) . . ?
O14 N15 C60 135.2(9) . . ?
O14 N15 O15 113.2(9) . . ?
O15 N15 C60 111.6(8) . . ?
C60 C59 C58 116.8(10) . . ?
C60 C61 C9 119.8(11) . . ?
C59 C58 Cl8 118.6(9) . . ?
C59 C58 C57 124.6(11) . . ?
C57 C58 Cl8 116.8(9) . . ?
C61 C9 Cl7 120.5(10) . . ?
C61 C9 C57 123.0(12) . . ?
C57 C9 Cl7 116.5(10) . . ?
O16 C57 C58 127.1(11) . . ?
O16 C57 C9 120.2(11) . . ?
C58 C57 C9 112.5(11) . . ?
O11C N16A C63 124.5(17) . . ?
O12A N16A C63 115(2) . . ?
O12A N16A O11C 120.5(16) . . ?
C10 C8A C9C 116.6(10) . . ?
N3 C8A C10 114.5(10) . . ?
N3 C8A C9C 127.3(11) . . ?
C8A C9C H9CA 109.5 . . ?
C8A C9C H9CB 109.5 . . ?
C8A C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O4 H4A O14 0.88 2.02 2.887(7) 173.0 1_455 yes
O4 H4B O11 0.88 1.88 2.732(6) 163.7 . yes
O5 H5D O11 0.90 1.83 2.680(7) 157.3 . yes
O5 H5E O14A 0.90 1.94 2.753(9) 150.2 . yes
O9 H9A O13 0.91 1.79 2.605(6) 148.3 1_565 yes
O9 H9B O16 0.91 2.02 2.836(8) 149.8 1_565 yes
O11 H11A O13 0.87 1.86 2.721(7) 172.9 . yes
O11 H11B O16 0.87 2.05 2.876(9) 157.7 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 179.8(7) . . . . ?
C1 C2 C3 N1 -0.3(10) . . . . ?
C2 C1 C22 C21 1.0(10) . . . . ?
C2 C3 C4 C5 -1.0(10) . . . . ?
C2 C3 C4 N2 176.7(6) . . . . ?
C2 C3 N1 C21 -0.4(8) . . . . ?
C2 C3 N1 Dy1 -163.5(5) . . . . ?
C3 C4 N2 C6 -175.4(5) . . . . ?
C3 C4 N2 Dy1 -12.8(8) . . . . ?
C4 C3 N1 C21 179.6(5) . . . . ?
C4 C3 N1 Dy1 16.5(6) . . . . ?
C5 C4 N2 C6 2.0(10) . . . . ?
C5 C4 N2 Dy1 164.7(6) . . . . ?
C6 C7 N3 C8 168.9(13) . . . . ?
C6 C7 N3 Dy1 -15.8(7) . . . . ?
C6 C7 N3 C8A -170.2(15) . . . . ?
C7 C6 N2 C4 101.0(6) . . . . ?
C7 C6 N2 Dy1 -63.5(5) . . . . ?
C7 N3 C8A C10 -164.6(12) . . . . ?
C7 N3 C8A C9C 1(3) . . . . ?
C8 C10 C11 C12 -164.8(12) . . . . ?
C8 C10 N4 C14 164.7(11) . . . . ?
C8 C10 N4 Dy1 -34.7(12) . . . . ?
C9B C8 C10 C11 2(2) . . . . ?
C9B C8 C10 N4 -167.4(13) . . . . ?
C9B C8 N3 C7 6(2) . . . . ?
C9B C8 N3 Dy1 -168.7(12) . . . . ?
C10 C8 N3 C7 178.9(10) . . . . ?
C10 C8 N3 Dy1 4(2) . . . . ?
C10 C11 C12 C13 0.3(10) . . . . ?
C11 C10 N4 C14 -4.8(9) . . . . ?
C11 C10 N4 Dy1 155.8(5) . . . . ?
C11 C10 C8A N3 171.6(13) . . . . ?
C11 C10 C8A C9C 5(2) . . . . ?
C11 C12 C13 C14 -2.8(9) . . . . ?
C12 C13 C14 C15 -176.4(5) . . . . ?
C12 C13 C14 N4 1.7(9) . . . . ?
C13 C14 C15 C16 -13.8(8) . . . . ?
C13 C14 C15 N5 163.1(5) . . . . ?
C13 C14 N4 C10 2.1(8) . . . . ?
C13 C14 N4 Dy1 -158.4(4) . . . . ?
C14 C15 N5 C17 -169.7(5) . . . . ?
C14 C15 N5 Dy1 3.3(7) . . . . ?
C15 C14 N4 C10 -179.6(5) . . . . ?
C15 C14 N4 Dy1 19.8(6) . . . . ?
C16 C15 N5 C17 6.9(9) . . . . ?
C16 C15 N5 Dy1 179.8(4) . . . . ?
C17 C18 N6 C19 171.0(5) . . . . ?
C17 C18 N6 Dy1 -18.2(6) . . . . ?
C18 C17 N5 C15 110.0(6) . . . . ?
C18 C17 N5 Dy1 -63.8(5) . . . . ?
C19 C21 C22 C1 -178.6(6) . . . . ?
C19 C21 N1 C3 178.5(5) . . . . ?
C19 C21 N1 Dy1 -18.7(6) . . . . ?
C20 C19 C21 C22 -0.4(8) . . . . ?
C20 C19 C21 N1 -177.4(5) . . . . ?
C20 C19 N6 C18 6.2(8) . . . . ?
C20 C19 N6 Dy1 -164.4(5) . . . . ?
C21 C19 N6 C18 -172.6(5) . . . . ?
C21 C19 N6 Dy1 16.9(6) . . . . ?
C22 C1 C2 C3 -0.1(11) . . . . ?
C22 C21 N1 C3 1.4(8) . . . . ?
C22 C21 N1 Dy1 164.1(4) . . . . ?
C23 C24 C25 C26 -1.4(9) . . . . ?
C24 C23 C28 C27 -0.7(8) . . . . ?
C24 C23 C28 Cl1 177.4(4) . . . . ?
C24 C23 O1 Dy1 104.3(11) . . . . ?
C24 C25 C26 C27 -0.3(9) . . . . ?
C24 C25 C26 N7 -179.4(5) . . . . ?
C25 C26 C27 C28 1.4(9) . . . . ?
C25 C26 N7 O2 177.9(5) . . . . ?
C25 C26 N7 O3 -2.7(8) . . . . ?
C26 C27 C28 C23 -0.9(9) . . . . ?
C26 C27 C28 Cl1 -179.0(4) . . . . ?
C27 C26 N7 O2 -1.2(8) . . . . ?
C27 C26 N7 O3 178.2(5) . . . . ?
C28 C23 C24 C25 1.9(9) . . . . ?
C28 C23 C24 Cl2 -176.9(4) . . . . ?
C28 C23 O1 Dy1 -76.5(13) . . . . ?
Cl2 C24 C25 C26 177.3(5) . . . . ?
Dy1 N3 C8A C10 40(2) . . . . ?
Dy1 N3 C8A C9C -154.5(17) . . . . ?
N1 C3 C4 C5 179.1(7) . . . . ?
N1 C3 C4 N2 -3.2(8) . . . . ?
N1 C21 C22 C1 -1.7(9) . . . . ?
N2 C6 C7 N3 48.7(7) . . . . ?
N3 C8 C10 C11 -170.8(11) . . . . ?
N3 C8 C10 N4 20(2) . . . . ?
N4 C10 C11 C12 3.7(10) . . . . ?
N4 C10 C8A N3 -15(2) . . . . ?
N4 C10 C8A C9C 177.7(14) . . . . ?
N4 C14 C15 C16 167.9(5) . . . . ?
N4 C14 C15 N5 -15.1(7) . . . . ?
N5 C17 C18 N6 51.2(6) . . . . ?
N6 C19 C21 C22 178.5(5) . . . . ?
N6 C19 C21 N1 1.4(7) . . . . ?
N7 C26 C27 C28 -179.5(5) . . . . ?
O1 C23 C24 C25 -178.9(6) . . . . ?
O1 C23 C24 Cl2 2.4(8) . . . . ?
O1 C23 C28 C27 -179.9(5) . . . . ?
O1 C23 C28 Cl1 -1.8(8) . . . . ?
C29 C30 C31 C32 175.9(6) . . . . ?
C29 C30 C31 N8 -1.9(9) . . . . ?
C30 C29 C50 C49 0.5(10) . . . . ?
C30 C31 C32 C33 -2.5(8) . . . . ?
C30 C31 C32 N9 178.2(5) . . . . ?
C30 C31 N8 C49 2.4(8) . . . . ?
C30 C31 N8 Dy2 -161.0(4) . . . . ?
C31 C32 N9 C34 174.7(5) . . . . ?
C31 C32 N9 Dy2 -15.3(6) . . . . ?
C32 C31 N8 C49 -175.6(5) . . . . ?
C32 C31 N8 Dy2 21.0(6) . . . . ?
C33 C32 N9 C34 -4.5(8) . . . . ?
C33 C32 N9 Dy2 165.5(4) . . . . ?
C34 C35 N10 C36 -99.0(5) . . . . ?
C34 C35 N10 Dy2 61.9(5) . . . . ?
C35 C34 N9 C32 -170.7(5) . . . . ?
C35 C34 N9 Dy2 19.0(5) . . . . ?
C36 C38 C39 C40 -177.7(5) . . . . ?
C36 C38 N11 C42 177.5(4) . . . . ?
C36 C38 N11 Dy2 -3.7(6) . . . . ?
C37 C36 C38 C39 -12.2(7) . . . . ?
C37 C36 C38 N11 169.9(5) . . . . ?
C37 C36 N10 C35 -0.1(8) . . . . ?
C37 C36 N10 Dy2 -159.1(4) . . . . ?
C38 C36 N10 C35 -178.7(4) . . . . ?
C38 C36 N10 Dy2 22.3(6) . . . . ?
C38 C39 C40 C41 0.1(8) . . . . ?
C39 C38 N11 C42 -0.3(7) . . . . ?
C39 C38 N11 Dy2 178.5(4) . . . . ?
C39 C40 C41 C42 0.2(8) . . . . ?
C40 C41 C42 C43 174.7(5) . . . . ?
C40 C41 C42 N11 -0.6(8) . . . . ?
C41 C42 C43 C44 8.6(8) . . . . ?
C41 C42 C43 N12 -167.5(5) . . . . ?
C41 C42 N11 C38 0.6(7) . . . . ?
C41 C42 N11 Dy2 -178.2(4) . . . . ?
C42 C43 N12 C45 169.8(5) . . . . ?
C42 C43 N12 Dy2 -18.8(6) . . . . ?
C43 C42 N11 C38 -174.9(4) . . . . ?
C43 C42 N11 Dy2 6.3(6) . . . . ?
C44 C43 N12 C45 -6.1(8) . . . . ?
C44 C43 N12 Dy2 165.3(4) . . . . ?
C45 C46 N13 C47 -97.9(7) . . . . ?
C45 C46 N13 Dy2 64.4(5) . . . . ?
C46 C45 N12 C43 -167.0(5) . . . . ?
C46 C45 N12 Dy2 21.3(6) . . . . ?
C47 C49 C50 C29 179.1(6) . . . . ?
C47 C49 N8 C31 179.4(5) . . . . ?
C47 C49 N8 Dy2 -16.9(6) . . . . ?
C48 C47 C49 C50 1.9(9) . . . . ?
C48 C47 C49 N8 -179.0(5) . . . . ?
C48 C47 N13 C46 -4.1(10) . . . . ?
C48 C47 N13 Dy2 -163.7(5) . . . . ?
C49 C47 N13 C46 174.5(5) . . . . ?
C49 C47 N13 Dy2 14.9(8) . . . . ?
C50 C29 C30 C31 0.4(10) . . . . ?
C50 C49 N8 C31 -1.4(8) . . . . ?
C50 C49 N8 Dy2 162.2(5) . . . . ?
C51 C52 C53 C54 -1.5(10) . . . . ?
C52 C51 C56 C55 -4.6(8) . . . . ?
C52 C51 C56 Cl4 175.3(4) . . . . ?
C52 C51 O6 Dy2 85.2(8) . . . . ?
C52 C53 C54 C55 -0.8(10) . . . . ?
C52 C53 C54 N14 179.8(6) . . . . ?
C53 C54 C55 C56 0.3(10) . . . . ?
C53 C54 N14 O7 0.4(11) . . . . ?
C53 C54 N14 O8 178.6(7) . . . . ?
C54 C55 C56 C51 2.5(9) . . . . ?
C54 C55 C56 Cl4 -177.4(5) . . . . ?
C55 C54 N14 O7 -179.1(8) . . . . ?
C55 C54 N14 O8 -0.8(11) . . . . ?
C56 C51 C52 C53 4.1(8) . . . . ?
C56 C51 C52 Cl3 -173.8(4) . . . . ?
C56 C51 O6 Dy2 -95.4(8) . . . . ?
Cl3 C52 C53 C54 176.3(5) . . . . ?
N8 C31 C32 C33 175.4(5) . . . . ?
N8 C31 C32 N9 -3.8(7) . . . . ?
N8 C49 C50 C29 0.0(10) . . . . ?
N9 C34 C35 N10 -49.9(6) . . . . ?
N10 C36 C38 C39 166.5(5) . . . . ?
N10 C36 C38 N11 -11.3(6) . . . . ?
N11 C38 C39 C40 0.0(8) . . . . ?
N11 C42 C43 C44 -175.9(5) . . . . ?
N11 C42 C43 N12 8.0(7) . . . . ?
N12 C45 C46 N13 -54.1(6) . . . . ?
N13 C47 C49 C50 -176.8(6) . . . . ?
N13 C47 C49 N8 2.3(8) . . . . ?
N14 C54 C55 C56 179.7(6) . . . . ?
O6 C51 C52 C53 -176.4(6) . . . . ?
O6 C51 C52 Cl3 5.7(8) . . . . ?
O6 C51 C56 C55 175.9(5) . . . . ?
O6 C51 C56 Cl4 -4.2(8) . . . . ?
C63 C64 C65 C66 1.8(12) . . . . ?
C63 C64 C65 Cl5 -178.4(6) . . . . ?
C64 C63 C68 C67 -0.4(11) . . . . ?
C64 C63 N16 O11B 4.9(16) . . . . ?
C64 C63 N16 O12 -173.4(12) . . . . ?
C64 C63 N16A O11C 7(3) . . . . ?
C64 C63 N16A O12A 180.0(16) . . . . ?
C64 C65 C66 C67 0.8(10) . . . . ?
C64 C65 C66 O13 179.5(7) . . . . ?
C65 C66 C67 C68 -3.3(9) . . . . ?
C65 C66 C67 Cl6 178.3(5) . . . . ?
C66 C67 C68 C63 3.2(10) . . . . ?
C68 C63 C64 C65 -2.0(12) . . . . ?
C68 C63 N16 O11B -163.8(10) . . . . ?
C68 C63 N16 O12 17.9(17) . . . . ?
C68 C63 N16A O11C 172.0(18) . . . . ?
C68 C63 N16A O12A -15(2) . . . . ?
Cl5 C65 C66 C67 -179.1(5) . . . . ?
Cl5 C65 C66 O13 -0.3(9) . . . . ?
Cl6 C67 C68 C63 -178.4(6) . . . . ?
N16 C63 C64 C65 -170.3(9) . . . . ?
N16 C63 C68 C67 168.1(9) . . . . ?
O13 C66 C67 C68 177.9(6) . . . . ?
O13 C66 C67 Cl6 -0.5(9) . . . . ?
C57C C62A C61A C60A 0.0 . . . . ?
C62A C57C C58A C59A 0.0 . . . . ?
C62A C57C C58A Cl7B -172.8(6) . . . . ?
C62A C61A C60A C59A 0.0 . . . . ?
C62A C61A C60A N15A 179.7(11) . . . . ?
C61A C60A C59A C58A 0.0 . . . . ?
C61A C60A N15A O14A 179.4(10) . . . . ?
C61A C60A N15A O15A 2.9(16) . . . . ?
C60A C59A C58A C57C 0.0 . . . . ?
C60A C59A C58A Cl7B 172.8(6) . . . . ?
C59A C60A N15A O14A -0.8(18) . . . . ?
C59A C60A N15A O15A -177.3(9) . . . . ?
C58A C57C C62A C61A 0.0 . . . . ?
C58A C57C C62A Cl8A 173.9(6) . . . . ?
O16A C57C C62A C61A 178.9(5) . . . . ?
O16A C57C C62A Cl8A -7.2(7) . . . . ?
O16A C57C C58A C59A -178.9(5) . . . . ?
O16A C57C C58A Cl7B 8.4(6) . . . . ?
Cl8A C62A C61A C60A -174.0(6) . . . . ?
N15A C60A C59A C58A -179.7(11) . . . . ?
Cl8 C58 C57 O16 -2.1(17) . . . . ?
Cl8 C58 C57 C9 -178.5(9) . . . . ?
Cl7 C9 C57 O16 3.2(16) . . . . ?
Cl7 C9 C57 C58 179.8(9) . . . . ?
C60 C59 C58 Cl8 176.6(8) . . . . ?
C60 C59 C58 C57 -4.7(17) . . . . ?
C60 C61 C9 Cl7 179.4(9) . . . . ?
C60 C61 C9 C57 -0.7(19) . . . . ?
N15 C60 C59 C58 -179.7(9) . . . . ?
N15 C60 C61 C9 -178.2(10) . . . . ?
C59 C60 N15 O14 178.2(11) . . . . ?
C59 C60 N15 O15 -3.2(13) . . . . ?
C59 C60 C61 C9 -1.2(18) . . . . ?
C59 C58 C57 O16 179.2(11) . . . . ?
C59 C58 C57 C9 2.9(17) . . . . ?
C61 C60 N15 O14 -4.9(16) . . . . ?
C61 C60 N15 O15 173.7(9) . . . . ?
C61 C60 C59 C58 3.8(16) . . . . ?
C61 C9 C57 O16 -176.7(11) . . . . ?
C61 C9 C57 C58 -0.1(18) . . . . ?
N16A C63 C64 C65 162.9(13) . . . . ?
N16A C63 C68 C67 -165.1(12) . . . . ?
C8A C10 C11 C12 176.1(14) . . . . ?
C8A C10 N4 C14 -177.8(13) . . . . ?
C8A C10 N4 Dy1 -17.1(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_xj82
_database_code_depnum_ccdc_archive 'CCDC 2344768'
loop_
_audit_author_name
_audit_author_address
'Zhang Yuchen'
;Ningxia University
China
;
_audit_update_record             
;
2024-04-01 deposited with the CCDC.	2024-09-12 downloaded from the CCDC.
;
_audit_creation_date             2023-02-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H30 Cl4 Dy N8 O6, 2(C H2 Cl2), C24 H20 B'
_chemical_formula_sum            'C60 H54 B Cl8 Dy N8 O6'
_chemical_formula_weight         1440.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.429(5)
_cell_length_b                   16.344(6)
_cell_length_c                   30.943(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.964(12)
_cell_angle_gamma                90
_cell_volume                     6271(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8428
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.832
_exptl_absorpt_coefficient_mu    1.589
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2900
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            132829
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.568
_diffrn_reflns_theta_min         1.410
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12974
_reflns_number_total             14346
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.621
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         14346
_refine_ls_number_restraints     584
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.146
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0485P)²+7.1537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1131
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl6-C59 = C59-Cl5
 1.79 with sigma of 0.02
 Cl5A-C59A = C59A-Cl6A
 1.79 with sigma of 0.02
 Cl6-Cl5
 2.924 with sigma of 0.04
 Cl5A-Cl6A
 2.924 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 C59, Cl5, Cl6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C59A, Cl6A, Cl5A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
5. Others
 Sof(C59A)=Sof(H59C)=Sof(H59D)=Sof(Cl5A)=Sof(Cl6A)=1-FVAR(1)
 Sof(Cl5)=Sof(Cl6)=Sof(C59)=Sof(H59A)=Sof(H59B)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C31(H31A,H31B), C32(H32A,H32B), C59(H59A,
 H59B), C60(H60A,H60B), C59A(H59C,H59D)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C11(H11), C14(H14), C15(H15), C16(H16), C25(H25),
 C26(H26), C27(H27), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42),
  C43(H43), C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50),
 C51(H51), C52(H52), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58)
6.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C23(H23A,H23B,H23C), C30(H30A,H30B,H30C), C34(H34A,H34B,
 H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.24915(2) 0.71747(2) 0.42954(2) 0.04412(6) Uani 1 1 d . . . . .
Cl1 Cl -0.07766(9) 0.64863(6) 0.39891(4) 0.0663(3) Uani 1 1 d . U . . .
Cl2 Cl 0.08079(9) 0.88141(8) 0.50913(4) 0.0731(3) Uani 1 1 d . U . . .
Cl3 Cl 0.53186(12) 0.54260(8) 0.43317(4) 0.0874(4) Uani 1 1 d . U . . .
Cl4 Cl 0.41758(14) 0.80576(10) 0.33782(6) 0.1067(5) Uani 1 1 d . U . . .
O1 O 0.0880(2) 0.73271(16) 0.45552(8) 0.0533(6) Uani 1 1 d . U . . .
O2 O -0.3685(3) 0.8774(3) 0.40806(14) 0.0973(12) Uani 1 1 d . U . . .
O3 O -0.3028(4) 0.9719(3) 0.44923(14) 0.1132(15) Uani 1 1 d . U . . .
O4 O 0.4081(2) 0.69026(19) 0.40873(10) 0.0666(7) Uani 1 1 d . U . . .
O5 O 0.7957(3) 0.5643(3) 0.31089(16) 0.1175(16) Uani 1 1 d . U . . .
O6 O 0.7702(4) 0.6818(4) 0.28043(17) 0.1304(18) Uani 1 1 d . U . . .
N8 N 0.2645(3) 0.6539(2) 0.50603(11) 0.0584(8) Uani 1 1 d . U . . .
N1 N -0.2949(3) 0.9066(3) 0.43074(12) 0.0725(10) Uani 1 1 d . U . . .
N2 N 0.7470(3) 0.6290(4) 0.30592(16) 0.0899(13) Uani 1 1 d . U . . .
N3 N 0.1406(2) 0.79405(18) 0.36811(9) 0.0476(6) Uani 1 1 d . U . . .
N4 N 0.1977(3) 0.6412(2) 0.35975(11) 0.0624(8) Uani 1 1 d . U . . .
N5 N 0.2118(3) 0.5634(2) 0.43752(13) 0.0673(9) Uani 1 1 d . U . . .
N6 N 0.3633(3) 0.7897(2) 0.48816(11) 0.0606(8) Uani 1 1 d . U . . .
N7 N 0.2573(2) 0.87853(18) 0.42591(10) 0.0519(7) Uani 1 1 d . U . . .
C1 C -0.0023(3) 0.7709(2) 0.45051(11) 0.0452(7) Uani 1 1 d . U . . .
C2 C -0.0906(3) 0.7435(2) 0.42376(11) 0.0470(7) Uani 1 1 d . U . . .
C3 C -0.1854(3) 0.7867(2) 0.41610(12) 0.0527(8) Uani 1 1 d . U . . .
H3 H -0.241622 0.766338 0.397802 0.063 Uiso 1 1 calc R U . . .
C4 C -0.1938(3) 0.8614(2) 0.43661(12) 0.0541(8) Uani 1 1 d . U . . .
C5 C -0.1129(3) 0.8915(2) 0.46483(12) 0.0537(8) Uani 1 1 d . U . . .
H5 H -0.121208 0.941281 0.478795 0.064 Uiso 1 1 calc R U . . .
C6 C -0.0202(3) 0.8471(2) 0.47199(11) 0.0496(7) Uani 1 1 d . U . . .
C7 C 0.4853(3) 0.6759(2) 0.38406(13) 0.0529(8) Uani 1 1 d . U . . .
C8 C 0.5557(3) 0.6082(2) 0.39128(12) 0.0531(8) Uani 1 1 d . U . . .
C9 C 0.6391(3) 0.5927(3) 0.36581(14) 0.0611(9) Uani 1 1 d . U . . .
H9 H 0.683503 0.547476 0.371105 0.073 Uiso 1 1 calc R U . . .
C10 C 0.6561(3) 0.6456(3) 0.33206(15) 0.0658(10) Uani 1 1 d . U . . .
C11 C 0.5896(4) 0.7110(3) 0.32271(15) 0.0694(11) Uani 1 1 d . U . . .
H11 H 0.600833 0.744953 0.299336 0.083 Uiso 1 1 calc R U . . .
C12 C 0.5063(4) 0.7254(2) 0.34850(15) 0.0626(9) Uani 1 1 d . U . . .
C13 C 0.0923(3) 0.7522(3) 0.33480(11) 0.0548(8) Uani 1 1 d . U . . .
C14 C 0.0138(4) 0.7881(3) 0.30687(15) 0.0772(12) Uani 1 1 d . U . . .
H14 H -0.017588 0.758868 0.283493 0.093 Uiso 1 1 calc R U . . .
C15 C -0.0170(4) 0.8674(3) 0.31419(17) 0.0870(14) Uani 1 1 d . U . . .
H15 H -0.071844 0.891305 0.296548 0.104 Uiso 1 1 calc R U . . .
C16 C 0.0326(4) 0.9105(3) 0.34702(15) 0.0732(11) Uani 1 1 d . U . . .
H16 H 0.013444 0.964493 0.351959 0.088 Uiso 1 1 calc R U . . .
C17 C 0.1135(3) 0.8722(2) 0.37348(12) 0.0526(8) Uani 1 1 d . U . . .
C18 C 0.1302(3) 0.6666(3) 0.32990(12) 0.0584(9) Uani 1 1 d . U . . .
C19 C 0.0842(5) 0.6195(3) 0.29085(16) 0.0873(15) Uani 1 1 d . U . . .
H19A H 0.105805 0.645189 0.264922 0.131 Uiso 1 1 calc R U . . .
H19B H 0.006898 0.619186 0.290588 0.131 Uiso 1 1 calc R U . . .
H19C H 0.110573 0.564339 0.292248 0.131 Uiso 1 1 calc R U . . .
C20 C 0.2394(4) 0.5576(3) 0.36014(17) 0.0783(13) Uani 1 1 d . U . . .
H20A H 0.317545 0.558160 0.363407 0.094 Uiso 1 1 calc R U . . .
H20B H 0.217158 0.530223 0.333189 0.094 Uiso 1 1 calc R U . . .
C21 C 0.1943(4) 0.5135(3) 0.39790(19) 0.0846(14) Uani 1 1 d . U . . .
H21A H 0.117801 0.503844 0.391797 0.101 Uiso 1 1 calc R U . . .
H21B H 0.229799 0.460961 0.402129 0.101 Uiso 1 1 calc R U . . .
C22 C 0.1907(4) 0.5312(3) 0.47361(19) 0.0744(12) Uani 1 1 d . U . . .
C23 C 0.1463(5) 0.4459(3) 0.4787(3) 0.111(2) Uani 1 1 d . U . . .
H23A H 0.106069 0.429996 0.452476 0.167 Uiso 1 1 calc R U . . .
H23B H 0.099770 0.445258 0.502255 0.167 Uiso 1 1 calc R U . . .
H23C H 0.204719 0.408290 0.484754 0.167 Uiso 1 1 calc R U . . .
C24 C 0.2168(3) 0.5824(3) 0.51287(16) 0.0691(11) Uani 1 1 d . U . . .
C25 C 0.1977(4) 0.5567(4) 0.55499(19) 0.0889(15) Uani 1 1 d . U . . .
H25 H 0.162652 0.507530 0.559619 0.107 Uiso 1 1 calc R U . . .
C26 C 0.2319(5) 0.6056(4) 0.58895(19) 0.0956(16) Uani 1 1 d . U . . .
H26 H 0.219624 0.589923 0.617072 0.115 Uiso 1 1 calc R U . . .
C27 C 0.2839(4) 0.6772(4) 0.58200(16) 0.0853(14) Uani 1 1 d . U . . .
H27 H 0.308704 0.709880 0.605193 0.102 Uiso 1 1 calc R U . . .
C28 C 0.2996(3) 0.7009(3) 0.53938(13) 0.0642(10) Uani 1 1 d . U . . .
C29 C 0.3570(3) 0.7759(3) 0.52859(13) 0.0640(10) Uani 1 1 d . U . . .
C30 C 0.4050(5) 0.8291(4) 0.56452(16) 0.0950(18) Uani 1 1 d . U . . .
H30A H 0.453934 0.797391 0.583123 0.142 Uiso 1 1 calc R U . . .
H30B H 0.348484 0.850285 0.580962 0.142 Uiso 1 1 calc R U . . .
H30C H 0.443275 0.873710 0.552437 0.142 Uiso 1 1 calc R U . . .
C31 C 0.4201(4) 0.8604(3) 0.47233(16) 0.0711(11) Uani 1 1 d . U . . .
H31A H 0.464253 0.844495 0.449089 0.085 Uiso 1 1 calc R U . . .
H31B H 0.466428 0.884353 0.495496 0.085 Uiso 1 1 calc R U . . .
C32 C 0.3348(4) 0.9213(3) 0.45601(15) 0.0694(11) Uani 1 1 d . U . . .
H32A H 0.298235 0.943419 0.480114 0.083 Uiso 1 1 calc R U . . .
H32B H 0.367950 0.966163 0.441292 0.083 Uiso 1 1 calc R U . . .
C33 C 0.1800(3) 0.9181(2) 0.40701(12) 0.0544(8) Uani 1 1 d . U . . .
C34 C 0.1550(5) 1.0069(3) 0.41423(16) 0.0770(13) Uani 1 1 d . U . . .
H34A H 0.195768 1.025997 0.439711 0.116 Uiso 1 1 calc R U . . .
H34B H 0.079343 1.013026 0.417953 0.116 Uiso 1 1 calc R U . . .
H34C H 0.173771 1.038230 0.389629 0.116 Uiso 1 1 calc R U . . .
Cl5 Cl 0.8312(3) 0.5551(3) 0.15591(12) 0.1712(17) Uani 0.750(5) 1 d D U P A 1
Cl6 Cl 0.8088(3) 0.4137(3) 0.20858(15) 0.1438(13) Uani 0.750(5) 1 d D U P A 1
C59 C 0.8647(13) 0.5059(9) 0.2042(5) 0.159(4) Uani 0.750(5) 1 d D U P A 1
H59A H 0.942522 0.500053 0.207619 0.191 Uiso 0.750(5) 1 calc R U P A 1
H59B H 0.843073 0.540053 0.227766 0.191 Uiso 0.750(5) 1 calc R U P A 1
Cl7 Cl 1.0801(3) 0.8482(2) 0.62725(9) 0.1767(10) Uani 1 1 d . U . . .
Cl8 Cl 1.07446(17) 0.91205(13) 0.71525(7) 0.1294(6) Uani 1 1 d . U . . .
C60 C 1.0688(9) 0.8281(5) 0.6825(3) 0.155(3) Uani 1 1 d . U . . .
H60A H 1.000988 0.800222 0.685769 0.186 Uiso 1 1 calc R U . . .
H60B H 1.126335 0.791031 0.692384 0.186 Uiso 1 1 calc R U . . .
C35 C 0.5841(3) 0.6922(2) 0.67769(12) 0.0540(8) Uani 1 1 d . U . . .
C36 C 0.5757(4) 0.6077(3) 0.68482(14) 0.0688(11) Uani 1 1 d . U . . .
H36 H 0.635822 0.575289 0.681077 0.083 Uiso 1 1 calc R U . . .
C37 C 0.4839(5) 0.5701(3) 0.69700(15) 0.0818(13) Uani 1 1 d . U . . .
H37 H 0.483316 0.513899 0.701516 0.098 Uiso 1 1 calc R U . . .
C38 C 0.3933(4) 0.6150(4) 0.70250(15) 0.0826(14) Uani 1 1 d . U . . .
H38 H 0.330253 0.589301 0.709697 0.099 Uiso 1 1 calc R U . . .
C39 C 0.3958(4) 0.6985(4) 0.69736(15) 0.0798(13) Uani 1 1 d . U . . .
H39 H 0.335246 0.729890 0.702032 0.096 Uiso 1 1 calc R U . . .
C40 C 0.4906(3) 0.7360(3) 0.68497(13) 0.0644(10) Uani 1 1 d . U . . .
H40 H 0.491181 0.792498 0.681460 0.077 Uiso 1 1 calc R U . . .
C41 C 0.7011(3) 0.8317(2) 0.67076(14) 0.0620(9) Uani 1 1 d . U . . .
C42 C 0.6356(4) 0.8936(3) 0.65133(18) 0.0761(12) Uani 1 1 d . U . . .
H42 H 0.583805 0.878981 0.629566 0.091 Uiso 1 1 calc R U . . .
C43 C 0.6445(5) 0.9757(3) 0.6631(2) 0.0902(15) Uani 1 1 d . U . . .
H43 H 0.598995 1.014257 0.649388 0.108 Uiso 1 1 calc R U . . .
C44 C 0.7180(5) 0.9990(3) 0.6939(2) 0.0954(16) Uani 1 1 d . U . . .
H44 H 0.724156 1.053891 0.701545 0.115 Uiso 1 1 calc R U . . .
C45 C 0.7836(5) 0.9432(4) 0.7141(2) 0.0960(16) Uani 1 1 d . U . . .
H45 H 0.834639 0.959743 0.735758 0.115 Uiso 1 1 calc R U . . .
C46 C 0.7749(4) 0.8587(3) 0.70253(17) 0.0798(13) Uani 1 1 d . U . . .
H46 H 0.820603 0.820997 0.716917 0.096 Uiso 1 1 calc R U . . .
C47 C 0.8009(3) 0.6855(2) 0.66896(13) 0.0583(9) Uani 1 1 d . U . . .
C48 C 0.8273(4) 0.6549(3) 0.71026(16) 0.0794(12) Uani 1 1 d . U . . .
H48 H 0.776935 0.660242 0.730953 0.095 Uiso 1 1 calc R U . . .
C49 C 0.9243(5) 0.6168(4) 0.7223(2) 0.0946(15) Uani 1 1 d . U . . .
H49 H 0.937382 0.597038 0.750384 0.113 Uiso 1 1 calc R U . . .
C50 C 1.0009(5) 0.6084(4) 0.6929(2) 0.0961(16) Uani 1 1 d . U . . .
H50 H 1.066927 0.584008 0.700850 0.115 Uiso 1 1 calc R U . . .
C51 C 0.9785(4) 0.6366(4) 0.6519(2) 0.0887(14) Uani 1 1 d . U . . .
H51 H 1.028912 0.629857 0.631336 0.106 Uiso 1 1 calc R U . . .
C52 C 0.8816(4) 0.6750(3) 0.64058(16) 0.0725(11) Uani 1 1 d . U . . .
H52 H 0.869807 0.694869 0.612483 0.087 Uiso 1 1 calc R U . . .
C53 C 0.6640(3) 0.7280(2) 0.60271(12) 0.0519(8) Uani 1 1 d . U . . .
C54 C 0.7136(5) 0.7802(3) 0.57476(16) 0.0763(12) Uani 1 1 d . U . . .
H54 H 0.758739 0.821014 0.586563 0.092 Uiso 1 1 calc R U . . .
C55 C 0.6988(5) 0.7743(3) 0.53012(17) 0.0887(15) Uani 1 1 d . U . . .
H55 H 0.733544 0.810854 0.512771 0.106 Uiso 1 1 calc R U . . .
C56 C 0.6332(5) 0.7148(3) 0.51125(15) 0.0787(13) Uani 1 1 d . U . . .
H56 H 0.622374 0.710903 0.481272 0.094 Uiso 1 1 calc R U . . .
C57 C 0.5837(4) 0.6608(3) 0.53785(13) 0.0665(10) Uani 1 1 d . U . . .
H57 H 0.539554 0.619648 0.525772 0.080 Uiso 1 1 calc R U . . .
C58 C 0.5992(3) 0.6677(2) 0.58223(12) 0.0553(8) Uani 1 1 d . U . . .
H58 H 0.564964 0.630378 0.599355 0.066 Uiso 1 1 calc R U . . .
B1 B 0.6877(4) 0.7342(3) 0.65556(15) 0.0537(9) Uani 1 1 d . U . . .
C59A C 0.873(3) 0.4763(19) 0.1728(13) 0.166(5) Uani 0.250(5) 1 d D U P A 2
H59C H 0.867230 0.496394 0.143272 0.199 Uiso 0.250(5) 1 calc R U P A 2
H59D H 0.939630 0.445754 0.177274 0.199 Uiso 0.250(5) 1 calc R U P A 2
Cl5A Cl 0.8738(12) 0.5585(9) 0.2088(5) 0.181(4) Uani 0.250(5) 1 d D U P A 2
Cl6A Cl 0.7643(13) 0.4131(10) 0.1814(6) 0.190(5) Uani 0.250(5) 1 d D U P A 2


_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 2.223(3) . ?
Dy1 O4 2.166(3) . ?
Dy1 N8 2.580(3) . ?
Dy1 N3 2.578(3) . ?
Dy1 N4 2.537(3) . ?
Dy1 N5 2.575(4) . ?
Dy1 N6 2.518(3) . ?
Dy1 N7 2.637(3) . ?
Cl1 C2 1.743(4) . ?
Cl2 C6 1.735(4) . ?
Cl3 C8 1.724(4) . ?
Cl4 C12 1.732(4) . ?
O1 C1 1.285(4) . ?
O2 N1 1.212(5) . ?
O3 N1 1.218(5) . ?
O4 C7 1.288(4) . ?
O5 N2 1.222(7) . ?
O6 N2 1.216(7) . ?
N8 C24 1.334(6) . ?
N8 C28 1.335(6) . ?
N1 C4 1.458(5) . ?
N2 C10 1.460(5) . ?
N3 C13 1.344(5) . ?
N3 C17 1.335(5) . ?
N4 C18 1.274(5) . ?
N4 C20 1.460(5) . ?
N5 C21 1.476(6) . ?
N5 C22 1.278(6) . ?
N6 C29 1.279(6) . ?
N6 C31 1.457(6) . ?
N7 C32 1.469(5) . ?
N7 C33 1.268(5) . ?
C1 C2 1.401(5) . ?
C1 C6 1.436(5) . ?
C2 C3 1.380(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(5) . ?
C4 C5 1.376(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.367(5) . ?
C7 C8 1.419(5) . ?
C7 C12 1.405(6) . ?
C8 C9 1.369(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(6) . ?
C10 C11 1.370(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.371(6) . ?
C13 C14 1.388(6) . ?
C13 C18 1.487(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.374(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.350(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.399(6) . ?
C17 C33 1.484(5) . ?
C18 C19 1.511(5) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.513(8) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.512(7) . ?
C22 C24 1.492(7) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.405(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.365(9) . ?
C26 H26 0.9300 . ?
C26 C27 1.361(9) . ?
C27 H27 0.9300 . ?
C27 C28 1.401(6) . ?
C28 C29 1.468(7) . ?
C29 C30 1.503(6) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.514(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.504(5) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
Cl5 C59 1.723(13) . ?
Cl6 C59 1.669(13) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
Cl7 C60 1.757(9) . ?
Cl8 C60 1.704(9) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C35 C36 1.403(6) . ?
C35 C40 1.397(6) . ?
C35 B1 1.649(6) . ?
C36 H36 0.9300 . ?
C36 C37 1.371(6) . ?
C37 H37 0.9300 . ?
C37 C38 1.364(8) . ?
C38 H38 0.9300 . ?
C38 C39 1.374(8) . ?
C39 H39 0.9300 . ?
C39 C40 1.406(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.408(7) . ?
C41 C46 1.370(6) . ?
C41 B1 1.666(6) . ?
C42 H42 0.9300 . ?
C42 C43 1.392(6) . ?
C43 H43 0.9300 . ?
C43 C44 1.330(8) . ?
C44 H44 0.9300 . ?
C44 C45 1.348(9) . ?
C45 H45 0.9300 . ?
C45 C46 1.429(7) . ?
C46 H46 0.9300 . ?
C47 C48 1.391(6) . ?
C47 C52 1.389(6) . ?
C47 B1 1.644(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.385(7) . ?
C49 H49 0.9300 . ?
C49 C50 1.368(8) . ?
C50 H50 0.9300 . ?
C50 C51 1.360(8) . ?
C51 H51 0.9300 . ?
C51 C52 1.383(7) . ?
C52 H52 0.9300 . ?
C53 C54 1.389(6) . ?
C53 C58 1.397(5) . ?
C53 B1 1.645(6) . ?
C54 H54 0.9300 . ?
C54 C55 1.384(7) . ?
C55 H55 0.9300 . ?
C55 C56 1.373(7) . ?
C56 H56 0.9300 . ?
C56 C57 1.379(7) . ?
C57 H57 0.9300 . ?
C57 C58 1.378(5) . ?
C58 H58 0.9300 . ?
C59A H59C 0.9700 . ?
C59A H59D 0.9700 . ?
C59A Cl5A 1.745(19) . ?
C59A Cl6A 1.735(19) . ?

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 N8 74.02(10) . . ?
O1 Dy1 N3 76.91(9) . . ?
O1 Dy1 N4 100.51(11) . . ?
O1 Dy1 N5 84.38(11) . . ?
O1 Dy1 N6 99.43(11) . . ?
O1 Dy1 N7 86.66(9) . . ?
O4 Dy1 O1 173.49(11) . . ?
O4 Dy1 N8 100.30(11) . . ?
O4 Dy1 N3 108.80(11) . . ?
O4 Dy1 N4 80.07(11) . . ?
O4 Dy1 N5 90.10(12) . . ?
O4 Dy1 N6 80.23(11) . . ?
O4 Dy1 N7 98.85(11) . . ?
N8 Dy1 N7 116.13(10) . . ?
N3 Dy1 N8 150.90(9) . . ?
N3 Dy1 N7 60.25(9) . . ?
N4 Dy1 N8 125.54(12) . . ?
N4 Dy1 N3 61.49(11) . . ?
N4 Dy1 N5 64.19(13) . . ?
N4 Dy1 N7 117.56(11) . . ?
N5 Dy1 N8 61.35(12) . . ?
N5 Dy1 N3 117.18(11) . . ?
N5 Dy1 N7 171.04(11) . . ?
N6 Dy1 N8 61.68(12) . . ?
N6 Dy1 N3 122.94(11) . . ?
N6 Dy1 N4 160.04(11) . . ?
N6 Dy1 N5 119.04(12) . . ?
N6 Dy1 N7 62.70(10) . . ?
C1 O1 Dy1 144.3(2) . . ?
C7 O4 Dy1 161.0(3) . . ?
C24 N8 Dy1 119.5(3) . . ?
C24 N8 C28 120.4(4) . . ?
C28 N8 Dy1 118.5(3) . . ?
O2 N1 O3 122.3(4) . . ?
O2 N1 C4 118.9(4) . . ?
O3 N1 C4 118.8(4) . . ?
O5 N2 C10 119.1(5) . . ?
O6 N2 O5 123.9(5) . . ?
O6 N2 C10 117.0(5) . . ?
C13 N3 Dy1 120.1(2) . . ?
C17 N3 Dy1 119.8(2) . . ?
C17 N3 C13 118.7(3) . . ?
C18 N4 Dy1 124.8(3) . . ?
C18 N4 C20 121.8(4) . . ?
C20 N4 Dy1 112.6(3) . . ?
C21 N5 Dy1 118.5(3) . . ?
C22 N5 Dy1 122.4(3) . . ?
C22 N5 C21 118.1(4) . . ?
C29 N6 Dy1 123.6(3) . . ?
C29 N6 C31 122.2(4) . . ?
C31 N6 Dy1 113.1(3) . . ?
C32 N7 Dy1 118.2(2) . . ?
C33 N7 Dy1 119.9(2) . . ?
C33 N7 C32 119.5(3) . . ?
O1 C1 C2 123.9(3) . . ?
O1 C1 C6 121.8(3) . . ?
C2 C1 C6 114.2(3) . . ?
C1 C2 Cl1 116.9(3) . . ?
C3 C2 Cl1 118.9(3) . . ?
C3 C2 C1 124.2(3) . . ?
C2 C3 H3 121.2 . . ?
C2 C3 C4 117.6(4) . . ?
C4 C3 H3 121.2 . . ?
C3 C4 N1 118.8(4) . . ?
C5 C4 N1 118.9(4) . . ?
C5 C4 C3 122.1(3) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 118.9(3) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 Cl2 117.3(3) . . ?
C5 C6 Cl2 119.9(3) . . ?
C5 C6 C1 122.8(3) . . ?
O4 C7 C8 121.7(4) . . ?
O4 C7 C12 123.1(4) . . ?
C12 C7 C8 115.2(3) . . ?
C7 C8 Cl3 117.9(3) . . ?
C9 C8 Cl3 119.6(3) . . ?
C9 C8 C7 122.5(4) . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C10 118.7(4) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 N2 117.8(4) . . ?
C11 C10 N2 120.4(5) . . ?
C11 C10 C9 121.7(4) . . ?
C10 C11 H11 120.7 . . ?
C10 C11 C12 118.7(4) . . ?
C12 C11 H11 120.7 . . ?
C7 C12 Cl4 115.8(3) . . ?
C11 C12 Cl4 121.1(4) . . ?
C11 C12 C7 123.1(4) . . ?
N3 C13 C14 121.3(4) . . ?
N3 C13 C18 115.4(3) . . ?
C14 C13 C18 123.3(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14 120.4 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(4) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 120.7 . . ?
C15 C16 C17 118.7(4) . . ?
C17 C16 H16 120.7 . . ?
N3 C17 C16 122.1(4) . . ?
N3 C17 C33 115.9(3) . . ?
C16 C17 C33 121.8(4) . . ?
N4 C18 C13 115.5(3) . . ?
N4 C18 C19 127.4(4) . . ?
C13 C18 C19 117.1(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N4 C20 H20A 110.2 . . ?
N4 C20 H20B 110.2 . . ?
N4 C20 C21 107.6(4) . . ?
H20A C20 H20B 108.5 . . ?
C21 C20 H20A 110.2 . . ?
C21 C20 H20B 110.2 . . ?
N5 C21 C20 109.7(4) . . ?
N5 C21 H21A 109.7 . . ?
N5 C21 H21B 109.7 . . ?
C20 C21 H21A 109.7 . . ?
C20 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
N5 C22 C23 124.8(5) . . ?
N5 C22 C24 115.8(4) . . ?
C24 C22 C23 119.4(5) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N8 C24 C22 115.8(4) . . ?
N8 C24 C25 120.9(5) . . ?
C25 C24 C22 123.2(5) . . ?
C24 C25 H25 120.8 . . ?
C26 C25 C24 118.4(6) . . ?
C26 C25 H25 120.8 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.5(5) . . ?
C27 C26 H26 119.7 . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.0(6) . . ?
C28 C27 H27 120.5 . . ?
N8 C28 C27 120.6(5) . . ?
N8 C28 C29 116.3(4) . . ?
C27 C28 C29 123.1(5) . . ?
N6 C29 C28 115.7(4) . . ?
N6 C29 C30 125.0(5) . . ?
C28 C29 C30 119.3(4) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N6 C31 H31A 110.4 . . ?
N6 C31 H31B 110.4 . . ?
N6 C31 C32 106.8(3) . . ?
H31A C31 H31B 108.6 . . ?
C32 C31 H31A 110.4 . . ?
C32 C31 H31B 110.4 . . ?
N7 C32 C31 108.2(3) . . ?
N7 C32 H32A 110.1 . . ?
N7 C32 H32B 110.1 . . ?
C31 C32 H32A 110.1 . . ?
C31 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
N7 C33 C17 115.6(3) . . ?
N7 C33 C34 125.6(4) . . ?
C17 C33 C34 118.7(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Cl5 C59 H59A 108.6 . . ?
Cl5 C59 H59B 108.6 . . ?
Cl6 C59 Cl5 114.5(9) . . ?
Cl6 C59 H59A 108.6 . . ?
Cl6 C59 H59B 108.6 . . ?
H59A C59 H59B 107.6 . . ?
Cl7 C60 H60A 108.5 . . ?
Cl7 C60 H60B 108.5 . . ?
Cl8 C60 Cl7 115.2(5) . . ?
Cl8 C60 H60A 108.5 . . ?
Cl8 C60 H60B 108.5 . . ?
H60A C60 H60B 107.5 . . ?
C36 C35 B1 123.0(4) . . ?
C40 C35 C36 114.0(4) . . ?
C40 C35 B1 122.4(4) . . ?
C35 C36 H36 118.1 . . ?
C37 C36 C35 123.8(5) . . ?
C37 C36 H36 118.1 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.2(5) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 120.2 . . ?
C37 C38 C39 119.6(5) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 120.3 . . ?
C38 C39 C40 119.4(5) . . ?
C40 C39 H39 120.3 . . ?
C35 C40 C39 122.9(5) . . ?
C35 C40 H40 118.5 . . ?
C39 C40 H40 118.5 . . ?
C42 C41 B1 121.5(4) . . ?
C46 C41 C42 114.5(4) . . ?
C46 C41 B1 124.0(4) . . ?
C41 C42 H42 118.4 . . ?
C43 C42 C41 123.2(5) . . ?
C43 C42 H42 118.4 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(6) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(5) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.3(5) . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 121.8(5) . . ?
C41 C46 H46 119.1 . . ?
C45 C46 H46 119.1 . . ?
C48 C47 B1 123.3(4) . . ?
C52 C47 C48 113.7(4) . . ?
C52 C47 B1 122.9(4) . . ?
C47 C48 H48 118.1 . . ?
C49 C48 C47 123.8(5) . . ?
C49 C48 H48 118.1 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 119.9(5) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 120.7 . . ?
C51 C50 C49 118.7(5) . . ?
C51 C50 H50 120.7 . . ?
C50 C51 H51 119.7 . . ?
C50 C51 C52 120.6(5) . . ?
C52 C51 H51 119.7 . . ?
C47 C52 H52 118.3 . . ?
C51 C52 C47 123.4(5) . . ?
C51 C52 H52 118.3 . . ?
C54 C53 C58 114.7(4) . . ?
C54 C53 B1 121.7(4) . . ?
C58 C53 B1 123.5(3) . . ?
C53 C54 H54 118.5 . . ?
C55 C54 C53 123.0(5) . . ?
C55 C54 H54 118.5 . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.5(5) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 120.8 . . ?
C55 C56 C57 118.3(4) . . ?
C57 C56 H56 120.8 . . ?
C56 C57 H57 119.8 . . ?
C58 C57 C56 120.3(4) . . ?
C58 C57 H57 119.8 . . ?
C53 C58 H58 118.4 . . ?
C57 C58 C53 123.1(4) . . ?
C57 C58 H58 118.4 . . ?
C35 B1 C41 110.3(3) . . ?
C47 B1 C35 111.9(3) . . ?
C47 B1 C41 108.9(3) . . ?
C47 B1 C53 108.2(3) . . ?
C53 B1 C35 107.2(3) . . ?
C53 B1 C41 110.3(3) . . ?
H59C C59A H59D 108.2 . . ?
Cl5A C59A H59C 109.8 . . ?
Cl5A C59A H59D 109.8 . . ?
Cl6A C59A H59C 109.8 . . ?
Cl6A C59A H59D 109.8 . . ?
Cl6A C59A Cl5A 109.4(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O1 C1 C2 88.3(5) . . . . ?
Dy1 O1 C1 C6 -90.9(5) . . . . ?
Dy1 O4 C7 C8 -131.1(8) . . . . ?
Dy1 O4 C7 C12 49.1(10) . . . . ?
Dy1 N8 C24 C22 20.3(4) . . . . ?
Dy1 N8 C24 C25 -162.4(3) . . . . ?
Dy1 N8 C28 C27 163.7(3) . . . . ?
Dy1 N8 C28 C29 -18.2(4) . . . . ?
Dy1 N3 C13 C14 164.8(3) . . . . ?
Dy1 N3 C13 C18 -16.2(4) . . . . ?
Dy1 N3 C17 C16 -162.9(3) . . . . ?
Dy1 N3 C17 C33 21.7(4) . . . . ?
Dy1 N4 C18 C13 8.7(5) . . . . ?
Dy1 N4 C18 C19 -170.5(4) . . . . ?
Dy1 N4 C20 C21 58.9(4) . . . . ?
Dy1 N5 C21 C20 19.5(5) . . . . ?
Dy1 N5 C22 C23 166.9(4) . . . . ?
Dy1 N5 C22 C24 -15.4(5) . . . . ?
Dy1 N6 C29 C28 15.0(5) . . . . ?
Dy1 N6 C29 C30 -166.1(3) . . . . ?
Dy1 N6 C31 C32 63.6(4) . . . . ?
Dy1 N7 C32 C31 19.4(4) . . . . ?
Dy1 N7 C33 C17 -24.4(4) . . . . ?
Dy1 N7 C33 C34 158.9(3) . . . . ?
Cl1 C2 C3 C4 179.3(3) . . . . ?
Cl3 C8 C9 C10 179.3(3) . . . . ?
O1 C1 C2 Cl1 4.2(5) . . . . ?
O1 C1 C2 C3 -175.8(3) . . . . ?
O1 C1 C6 Cl2 -5.8(4) . . . . ?
O1 C1 C6 C5 175.4(3) . . . . ?
O2 N1 C4 C3 0.0(6) . . . . ?
O2 N1 C4 C5 -175.3(4) . . . . ?
O3 N1 C4 C3 179.1(4) . . . . ?
O3 N1 C4 C5 3.7(6) . . . . ?
O4 C7 C8 Cl3 2.5(5) . . . . ?
O4 C7 C8 C9 -179.0(4) . . . . ?
O4 C7 C12 Cl4 -2.8(6) . . . . ?
O4 C7 C12 C11 178.8(4) . . . . ?
O5 N2 C10 C9 9.5(6) . . . . ?
O5 N2 C10 C11 -169.7(5) . . . . ?
O6 N2 C10 C9 -170.0(5) . . . . ?
O6 N2 C10 C11 10.8(7) . . . . ?
N8 C24 C25 C26 -1.8(7) . . . . ?
N8 C28 C29 N6 2.9(5) . . . . ?
N8 C28 C29 C30 -176.1(4) . . . . ?
N1 C4 C5 C6 176.8(4) . . . . ?
N2 C10 C11 C12 -178.8(4) . . . . ?
N3 C13 C14 C15 -1.7(7) . . . . ?
N3 C13 C18 N4 5.3(5) . . . . ?
N3 C13 C18 C19 -175.4(4) . . . . ?
N3 C17 C33 N7 2.1(5) . . . . ?
N3 C17 C33 C34 179.0(4) . . . . ?
N4 C20 C21 N5 -49.8(5) . . . . ?
N5 C22 C24 N8 -3.5(5) . . . . ?
N5 C22 C24 C25 179.3(4) . . . . ?
N6 C31 C32 N7 -51.5(5) . . . . ?
C1 C2 C3 C4 -0.7(5) . . . . ?
C2 C1 C6 Cl2 174.9(3) . . . . ?
C2 C1 C6 C5 -3.9(5) . . . . ?
C2 C3 C4 N1 -177.2(3) . . . . ?
C2 C3 C4 C5 -2.0(6) . . . . ?
C3 C4 C5 C6 1.6(6) . . . . ?
C4 C5 C6 Cl2 -177.2(3) . . . . ?
C4 C5 C6 C1 1.5(6) . . . . ?
C6 C1 C2 Cl1 -176.5(2) . . . . ?
C6 C1 C2 C3 3.5(5) . . . . ?
C7 C8 C9 C10 0.7(6) . . . . ?
C8 C7 C12 Cl4 177.3(3) . . . . ?
C8 C7 C12 C11 -1.1(6) . . . . ?
C8 C9 C10 N2 178.6(4) . . . . ?
C8 C9 C10 C11 -2.2(6) . . . . ?
C9 C10 C11 C12 2.0(7) . . . . ?
C10 C11 C12 Cl4 -178.6(3) . . . . ?
C10 C11 C12 C7 -0.3(7) . . . . ?
C12 C7 C8 Cl3 -177.7(3) . . . . ?
C12 C7 C8 C9 0.8(6) . . . . ?
C13 N3 C17 C16 3.5(6) . . . . ?
C13 N3 C17 C33 -172.0(3) . . . . ?
C13 C14 C15 C16 3.1(8) . . . . ?
C14 C13 C18 N4 -175.7(4) . . . . ?
C14 C13 C18 C19 3.5(6) . . . . ?
C14 C15 C16 C17 -1.2(8) . . . . ?
C15 C16 C17 N3 -2.1(7) . . . . ?
C15 C16 C17 C33 173.0(4) . . . . ?
C16 C17 C33 N7 -173.4(4) . . . . ?
C16 C17 C33 C34 3.5(6) . . . . ?
C17 N3 C13 C14 -1.5(6) . . . . ?
C17 N3 C13 C18 177.5(3) . . . . ?
C18 N4 C20 C21 -111.4(5) . . . . ?
C18 C13 C14 C15 179.4(5) . . . . ?
C20 N4 C18 C13 177.9(4) . . . . ?
C20 N4 C18 C19 -1.3(7) . . . . ?
C21 N5 C22 C23 -1.6(7) . . . . ?
C21 N5 C22 C24 176.1(4) . . . . ?
C22 N5 C21 C20 -171.6(4) . . . . ?
C22 C24 C25 C26 175.2(4) . . . . ?
C23 C22 C24 N8 174.3(4) . . . . ?
C23 C22 C24 C25 -2.9(6) . . . . ?
C24 N8 C28 C27 -1.9(6) . . . . ?
C24 N8 C28 C29 176.2(3) . . . . ?
C24 C25 C26 C27 -0.5(7) . . . . ?
C25 C26 C27 C28 1.5(8) . . . . ?
C26 C27 C28 N8 -0.4(6) . . . . ?
C26 C27 C28 C29 -178.4(4) . . . . ?
C27 C28 C29 N6 -179.0(4) . . . . ?
C27 C28 C29 C30 2.0(6) . . . . ?
C28 N8 C24 C22 -174.2(3) . . . . ?
C28 N8 C24 C25 3.0(6) . . . . ?
C29 N6 C31 C32 -104.3(4) . . . . ?
C31 N6 C29 C28 -178.4(4) . . . . ?
C31 N6 C29 C30 0.5(6) . . . . ?
C32 N7 C33 C17 173.1(3) . . . . ?
C32 N7 C33 C34 -3.5(6) . . . . ?
C33 N7 C32 C31 -177.9(4) . . . . ?
C35 C36 C37 C38 0.6(7) . . . . ?
C36 C35 C40 C39 -1.4(6) . . . . ?
C36 C35 B1 C41 -155.3(4) . . . . ?
C36 C35 B1 C47 -33.9(5) . . . . ?
C36 C35 B1 C53 84.6(5) . . . . ?
C36 C37 C38 C39 -2.4(7) . . . . ?
C37 C38 C39 C40 2.3(7) . . . . ?
C38 C39 C40 C35 -0.3(7) . . . . ?
C40 C35 C36 C37 1.3(6) . . . . ?
C40 C35 B1 C41 34.4(5) . . . . ?
C40 C35 B1 C47 155.8(3) . . . . ?
C40 C35 B1 C53 -85.7(4) . . . . ?
C41 C42 C43 C44 0.4(8) . . . . ?
C42 C41 C46 C45 -0.5(7) . . . . ?
C42 C41 B1 C35 -79.2(5) . . . . ?
C42 C41 B1 C47 157.7(4) . . . . ?
C42 C41 B1 C53 39.1(5) . . . . ?
C42 C43 C44 C45 -0.5(9) . . . . ?
C43 C44 C45 C46 0.2(9) . . . . ?
C44 C45 C46 C41 0.3(9) . . . . ?
C46 C41 C42 C43 0.2(7) . . . . ?
C46 C41 B1 C35 100.7(5) . . . . ?
C46 C41 B1 C47 -22.4(5) . . . . ?
C46 C41 B1 C53 -141.0(4) . . . . ?
C47 C48 C49 C50 0.6(9) . . . . ?
C48 C47 C52 C51 1.0(7) . . . . ?
C48 C47 B1 C35 -39.9(5) . . . . ?
C48 C47 B1 C41 82.3(5) . . . . ?
C48 C47 B1 C53 -157.8(4) . . . . ?
C48 C49 C50 C51 -1.3(10) . . . . ?
C49 C50 C51 C52 1.9(9) . . . . ?
C50 C51 C52 C47 -1.8(9) . . . . ?
C52 C47 C48 C49 -0.4(8) . . . . ?
C52 C47 B1 C35 143.6(4) . . . . ?
C52 C47 B1 C41 -94.2(5) . . . . ?
C52 C47 B1 C53 25.7(5) . . . . ?
C53 C54 C55 C56 -0.3(9) . . . . ?
C54 C53 C58 C57 -1.1(6) . . . . ?
C54 C53 B1 C35 157.6(4) . . . . ?
C54 C53 B1 C41 37.5(5) . . . . ?
C54 C53 B1 C47 -81.6(5) . . . . ?
C54 C55 C56 C57 -0.7(9) . . . . ?
C55 C56 C57 C58 0.8(8) . . . . ?
C56 C57 C58 C53 0.2(7) . . . . ?
C58 C53 C54 C55 1.2(7) . . . . ?
C58 C53 B1 C35 -26.7(5) . . . . ?
C58 C53 B1 C41 -146.9(4) . . . . ?
C58 C53 B1 C47 94.1(4) . . . . ?
B1 C35 C36 C37 -169.8(4) . . . . ?
B1 C35 C40 C39 169.7(4) . . . . ?
B1 C41 C42 C43 -179.9(4) . . . . ?
B1 C41 C46 C45 179.6(4) . . . . ?
B1 C47 C48 C49 -177.2(5) . . . . ?
B1 C47 C52 C51 177.8(4) . . . . ?
B1 C53 C54 C55 177.2(5) . . . . ?
B1 C53 C58 C57 -177.0(4) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
