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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2178369'
loop_
_audit_author_name
_audit_author_address
'Xiaodong Liu'
;CIAC
China
;
_audit_update_record             
;
2022-10-01 deposited with the CCDC.	2022-10-14 downloaded from the CCDC.
;
_audit_creation_date             2022-09-30
_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         'C84 H68 Dy2 F4 N12, 2(C24 H20 B), 4(C H2 Cl2)'
_chemical_formula_sum            'C136 H116 B2 Cl8 Dy2 F4 N12'
_chemical_formula_weight         2624.62
_chemical_absolute_configuration ad
_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'
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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.2123(5)
_cell_length_b                   25.8184(6)
_cell_length_c                   27.5581(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12246.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.971
_cell_measurement_theta_min      2.366
_shelx_estimated_absorpt_T_max   0.972
_shelx_estimated_absorpt_T_min   0.931
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0920 before and 0.0833 after correction.
The Ratio of minimum to maximum transmission is 0.9110.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5320
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1061
_diffrn_reflns_av_unetI/netI     0.0887
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            91773
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.051
_diffrn_reflns_theta_max         25.051
_diffrn_reflns_theta_min         1.972
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.848
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                16468
_reflns_number_total             21639
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.355
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 
;
 Flack x determined using 5978 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.002(6)
_refine_ls_extinction_coef       0.00061(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1464
_refine_ls_number_reflns         21639
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0544
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0525P)²+20.2933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1403
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 Cl5-C67
 1.77 with sigma of 0.02
 Cl3-C67 = Cl5-C67
 1.771 with sigma of 0.01
 Cl3-C67
 1.78 with sigma of 0.02
 Cl3-Cl5
 2.916 with sigma of 0.03
 Cl6-C135
 1.78 with sigma of 0.02
 Cl6-C135 = Cl7-C135
 1.771 with sigma of 0.01
 Cl6-Cl7
 2.916 with sigma of 0.03
 Cl7-C135
 1.77 with sigma of 0.02
 Cl3-Cl5
 2.92 with sigma of 0.04
 Cl6-Cl7
 2.92 with sigma of 0.04
 Cl5-C67 \\sim Cl5A-C67
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl3 \\sim Cl5 \\sim C67: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Cl6 \\sim Cl7 \\sim C135: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Uanis(C61) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C31) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C21) \\sim Ueq, Uanis(C83) \\sim Ueq, Uanis(C41) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C131) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 Cl3, Cl5, C67
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl6, Cl7, C135
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H67C)=Sof(H67D)=Sof(Cl5A)=1-FVAR(1)
 Sof(Cl5)=Sof(H67A)=Sof(H67B)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6), C16(H16), C28(H28), C36(H36), C38(H38), C44(H44), C56(H56)
6.b Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B), C133(H13A,H13B), C67(H67A,H67B), C67(H67C,H67D), C135(H13C,
 H13D)
6.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C20(H20), C24(H24), C26(H26), C30(H30), C32(H32), C40(H40),
 C42(H42), C46(H46), C48(H48), C52(H52), C54(H54), C62(H62), C68(H68), C74(H74),
  C76(H76), C78(H78), C80(H80), C82(H82), C84(H84), C86(H86), C88(H88),
 C90(H90), C92(H92), C94(H94), C96(H96), C100(H100), C102(H102), C104(H104),
 C106(H106), C110(H110), C112(H112), C114(H114), C116(H116), C118(H118),
 C120(H120), C124(H124), C126(H126), C130(H130), C132(H132), C134(H134),
 C136(H136), C17(H17), C69(H69), C35(H35), C71(H71), C9(H9), C73(H73), C37(H37),
  C75(H75), C19(H19), C77(H77), C39(H39), C79(H79), C5(H5), C81(H81), C41(H41),
 C83(H83), C21(H21), C85(H85), C87(H87), C11(H11), C89(H89), C91(H91), C23(H23),
  C93(H93), C47(H47), C3(H3), C97(H97), C49(H49), C99(H99), C25(H25),
 C101(H101), C51(H51), C103(H103), C13(H13), C105(H105), C53(H53), C107(H107),
 C109(H109), C111(H111), C7(H7), C113(H113), C57(H57), C115(H115), C29(H29),
 C117(H117), C59(H59), C119(H119), C15(H15), C121(H121), C61(H61), C123(H123),
 C31(H31), C125(H125), C63(H63), C2(H2), C129(H129), C65(H65), C131(H131)
6.d Fitted hexagon refined as free rotating group:
 C41(C83,C21,C85,C43,C87), C31(C125,C63,C127,C2,C129)
;
_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
F3 F 0.3064(4) 0.2622(2) 0.7510(3) 0.0375(19) Uani 1 1 d . . . . .
Dy1 Dy 0.38037(3) 0.19250(2) 0.73165(2) 0.02978(15) Uani 1 1 d . . . . .
F2 F 0.4482(4) 0.2672(2) 0.7405(3) 0.0359(18) Uani 1 1 d . . . . .
Dy2 Dy 0.37351(4) 0.33709(2) 0.75860(2) 0.02970(15) Uani 1 1 d . . . . .
F4 F 0.3670(5) 0.4172(3) 0.7720(2) 0.0482(18) Uani 1 1 d . . . . .
F1 F 0.3897(4) 0.1060(3) 0.7192(2) 0.051(2) Uani 1 1 d . . . . .
N3 N 0.3399(6) 0.2138(4) 0.6407(4) 0.034(2) Uani 1 1 d . . . . .
N2 N 0.2362(6) 0.1746(4) 0.7020(4) 0.033(2) Uani 1 1 d . . . . .
N6 N 0.4207(5) 0.1792(4) 0.8227(4) 0.032(2) Uani 1 1 d . . . . .
N11 N 0.4914(6) 0.3585(4) 0.8178(4) 0.036(3) Uani 1 1 d . . . . .
N10 N 0.5122(6) 0.3661(4) 0.7212(4) 0.035(3) Uani 1 1 d . . . . .
N5 N 0.5277(5) 0.1724(4) 0.7536(4) 0.035(2) Uani 1 1 d . . . . .
N7 N 0.2334(6) 0.3420(4) 0.8001(3) 0.029(2) Uani 1 1 d . . . . .
N12 N 0.3590(6) 0.3177(4) 0.8524(3) 0.033(2) Uani 1 1 d . . . . .
C1 C 0.4995(6) 0.1953(5) 0.8384(4) 0.033(3) Uani 1 1 d . . . . .
H1 H 0.503555 0.233706 0.834420 0.039 Uiso 1 1 calc R U . . .
N4 N 0.4818(6) 0.1794(4) 0.6611(4) 0.035(2) Uani 1 1 d . . . . .
N8 N 0.2542(6) 0.3714(4) 0.7078(4) 0.033(2) Uani 1 1 d . . . . .
N9 N 0.3916(6) 0.3532(4) 0.6639(3) 0.032(2) Uani 1 1 d . . . . .
C4 C 0.5211(8) 0.1819(5) 0.8911(5) 0.040(3) Uani 1 1 d . . . . .
C6 C 0.5581(7) 0.1701(5) 0.8045(4) 0.036(3) Uani 1 1 d . . . . .
H6 H 0.562721 0.132769 0.813793 0.043 Uiso 1 1 calc R U . . .
C8 C 0.1845(7) 0.3794(5) 0.7286(4) 0.033(3) Uani 1 1 d . . . . .
C10 C 0.5505(7) 0.1594(5) 0.6702(5) 0.037(3) Uani 1 1 d . . . . .
C12 C 0.5748(7) 0.1592(5) 0.7210(5) 0.042(3) Uani 1 1 d . . . . .
H12 H 0.626169 0.149073 0.729343 0.051 Uiso 1 1 calc R U . . .
C14 C 0.4742(7) 0.3521(5) 0.5864(4) 0.034(3) Uani 1 1 d . . . . .
C16 C 0.4655(7) 0.3414(5) 0.6404(4) 0.032(3) Uani 1 1 d . . . . .
H16 H 0.473936 0.303363 0.644714 0.038 Uiso 1 1 calc R U . . .
N1 N 0.2816(5) 0.1479(4) 0.7913(4) 0.032(2) Uani 1 1 d . . . . .
C18 C 0.2633(7) 0.3879(5) 0.6613(4) 0.030(3) Uani 1 1 d . . . . .
C20 C 0.4084(7) 0.3347(5) 0.8832(4) 0.039(3) Uani 1 1 d . . . . .
H20 H 0.398725 0.331545 0.917043 0.047 Uiso 1 1 calc R U . . .
C22 C 0.2144(7) 0.1294(5) 0.7752(4) 0.037(3) Uani 1 1 d . . . . .
C24 C 0.6015(8) 0.1413(5) 0.6342(5) 0.051(4) Uani 1 1 d . . . . .
H24 H 0.650940 0.127551 0.642571 0.061 Uiso 1 1 calc R U . . .
C26 C 0.3774(8) 0.1548(5) 0.8523(4) 0.038(3) Uani 1 1 d . . . . .
H26 H 0.394529 0.148603 0.884578 0.045 Uiso 1 1 calc R U . . .
C28 C 0.5305(7) 0.3683(5) 0.6688(5) 0.036(3) Uani 1 1 d . . . . .
H28 H 0.531834 0.405489 0.658765 0.043 Uiso 1 1 calc R U . . .
C30 C 0.0347(8) 0.2730(6) 0.6992(6) 0.056(4) Uani 1 1 d . . . . .
H30 H 0.025067 0.298725 0.723079 0.067 Uiso 1 1 calc R U . . .
C32 C 0.3386(7) 0.3779(5) 0.6399(5) 0.038(3) Uani 1 1 d . . . . .
H32 H 0.349232 0.389516 0.607895 0.045 Uiso 1 1 calc R U . . .
C34 C 0.2367(8) 0.2437(5) 0.5794(5) 0.037(3) Uani 1 1 d . . . . .
C36 C 0.2583(7) 0.2327(5) 0.6320(5) 0.033(3) Uani 1 1 d . . . . .
H36 H 0.251378 0.265537 0.650661 0.040 Uiso 1 1 calc R U . . .
C38 C 0.2159(8) 0.3258(5) 0.8513(4) 0.037(3) Uani 1 1 d . . . . .
H38 H 0.211912 0.357806 0.871616 0.045 Uiso 1 1 calc R U . . .
C40 C 0.1091(8) 0.2521(5) 0.6936(5) 0.047(4) Uani 1 1 d . . . . .
H40 H 0.150636 0.264064 0.713350 0.056 Uiso 1 1 calc R U . . .
C42 C 0.1222(9) 0.4042(4) 0.7050(4) 0.040(3) Uani 1 1 d . . . . .
H42 H 0.073208 0.408172 0.720346 0.048 Uiso 1 1 calc R U . . .
C44 C 0.2036(7) 0.1920(5) 0.6541(4) 0.031(3) Uani 1 1 d . . . . .
H44 H 0.201208 0.161523 0.631799 0.037 Uiso 1 1 calc R U . . .
C46 C 0.4748(8) 0.4023(6) 0.5693(5) 0.046(3) Uani 1 1 d . . . . .
H46 H 0.470803 0.430441 0.591285 0.055 Uiso 1 1 calc R U . . .
C48 C 0.1764(7) 0.3621(5) 0.7776(5) 0.035(3) Uani 1 1 d . . . . .
H48 H 0.127733 0.365591 0.793553 0.042 Uiso 1 1 calc R U . . .
C50 C 0.1218(8) 0.2144(5) 0.6596(4) 0.037(3) Uani 1 1 d . . . . .
C52 C 0.5665(8) 0.3811(6) 0.7496(4) 0.045(4) Uani 1 1 d . . . . .
H52 H 0.614720 0.392095 0.736359 0.054 Uiso 1 1 calc R U . . .
C54 C 0.3825(8) 0.2015(5) 0.6056(4) 0.040(3) Uani 1 1 d . . . . .
H54 H 0.364256 0.205644 0.573298 0.048 Uiso 1 1 calc R U . . .
C56 C 0.2866(7) 0.2938(5) 0.8698(4) 0.032(3) Uani 1 1 d . . . . .
H56 H 0.283042 0.258710 0.854544 0.038 Uiso 1 1 calc R U . . .
C58 C 0.1426(7) 0.2959(5) 0.8572(4) 0.036(3) Uani 1 1 d . . . . .
C60 C 0.5556(8) 0.3817(5) 0.8019(5) 0.041(3) Uani 1 1 d . . . . .
C62 C 0.1330(9) 0.2490(5) 0.8337(5) 0.047(3) Uani 1 1 d . . . . .
H62 H 0.172911 0.235947 0.813224 0.057 Uiso 1 1 calc R U . . .
C64 C 0.4792(8) 0.3586(5) 0.8660(4) 0.037(3) Uani 1 1 d . . . . .
C66 C 0.2785(8) 0.2863(6) 0.9248(5) 0.041(3) Uani 1 1 d . . . . .
C68 C 0.0827(8) 0.3166(6) 0.8857(5) 0.042(3) Uani 1 1 d . . . . .
H68 H 0.088222 0.349602 0.900588 0.051 Uiso 1 1 calc R U . . .
C70 C 0.3015(7) 0.1365(5) 0.8367(5) 0.039(3) Uani 1 1 d . . . . .
C72 C 0.0097(7) 0.0376(5) 0.7292(6) 0.043(3) Uani 1 1 d . . . . .
C74 C 0.0473(8) -0.1076(5) 0.6955(5) 0.046(3) Uani 1 1 d . . . . .
H74 H 0.010755 -0.110088 0.669773 0.056 Uiso 1 1 calc R U . . .
C76 C 0.1926(7) 0.1448(5) 0.7258(5) 0.036(3) Uani 1 1 d . . . . .
H76 H 0.145790 0.132286 0.711744 0.043 Uiso 1 1 calc R U . . .
C78 C 0.2286(10) 0.2943(6) 0.5651(6) 0.061(5) Uani 1 1 d . . . . .
H78 H 0.234905 0.321536 0.587946 0.073 Uiso 1 1 calc R U . . .
C80 C 0.2247(9) 0.2052(6) 0.5461(5) 0.051(4) Uani 1 1 d . . . . .
H80 H 0.230167 0.170161 0.556106 0.061 Uiso 1 1 calc R U . . .
C82 C 0.2056(8) 0.4145(5) 0.6358(5) 0.041(3) Uani 1 1 d . . . . .
H82 H 0.214882 0.426662 0.603806 0.049 Uiso 1 1 calc R U . . .
C84 C 0.1352(8) 0.4227(5) 0.6580(5) 0.041(3) Uani 1 1 d . . . . .
H84 H 0.095326 0.440967 0.641448 0.049 Uiso 1 1 calc R U . . .
C86 C 0.0062(9) 0.2402(6) 0.8690(6) 0.056(4) Uani 1 1 d . . . . .
H86 H -0.040113 0.220715 0.873355 0.068 Uiso 1 1 calc R U . . .
C88 C 0.6105(8) 0.4038(6) 0.8323(5) 0.058(4) Uani 1 1 d . . . . .
H88 H 0.656065 0.419157 0.819264 0.070 Uiso 1 1 calc R U . . .
C90 C 0.2664(9) 0.3273(7) 0.9567(5) 0.053(4) Uani 1 1 d . . . . .
H90 H 0.262198 0.361447 0.944184 0.064 Uiso 1 1 calc R U . . .
C92 C 0.4802(9) 0.3108(6) 0.5546(5) 0.051(4) Uani 1 1 d . . . . .
H92 H 0.480110 0.276255 0.566363 0.062 Uiso 1 1 calc R U . . .
C94 C 0.1207(8) -0.0586(5) 0.7507(4) 0.045(3) Uani 1 1 d . . . . .
H94 H 0.135686 -0.026280 0.764299 0.053 Uiso 1 1 calc R U . . .
C96 C 0.5781(8) 0.1439(6) 0.5865(5) 0.048(4) Uani 1 1 d . . . . .
H96 H 0.611146 0.131400 0.561500 0.058 Uiso 1 1 calc R U . . .
C98 C 0.4847(8) 0.5362(6) 1.0469(5) 0.045(3) Uani 1 1 d . . . . .
C100 C 0.5313(8) 0.3807(6) 0.8994(5) 0.044(3) Uani 1 1 d . . . . .
H100 H 0.520350 0.379916 0.933189 0.052 Uiso 1 1 calc R U . . .
C102 C 0.1646(8) 0.0989(5) 0.8026(5) 0.046(4) Uani 1 1 d . . . . .
H102 H 0.118313 0.085304 0.788824 0.056 Uiso 1 1 calc R U . . .
C104 C -0.0458(9) 0.1115(6) 0.7971(7) 0.065(5) Uani 1 1 d . . . . .
H104 H -0.063121 0.136353 0.820054 0.078 Uiso 1 1 calc R U . . .
C106 C 0.0005(8) 0.0898(5) 0.7174(6) 0.049(4) Uani 1 1 d . . . . .
H106 H 0.013862 0.100719 0.685535 0.059 Uiso 1 1 calc R U . . .
C108 C 0.0661(7) -0.0592(5) 0.7122(5) 0.040(3) Uani 1 1 d . . . . .
C110 C 0.5981(9) 0.4033(6) 0.8826(5) 0.057(4) Uani 1 1 d . . . . .
H110 H 0.634729 0.418126 0.904234 0.069 Uiso 1 1 calc R U . . .
C112 C 0.4881(11) 0.5187(7) 0.8526(6) 0.066(5) Uani 1 1 d . . . . .
H112 H 0.498702 0.522917 0.818985 0.079 Uiso 1 1 calc R U . . .
C114 C 0.5081(9) 0.1642(6) 0.5752(5) 0.052(4) Uani 1 1 d . . . . .
H114 H 0.491474 0.167235 0.542457 0.063 Uiso 1 1 calc R U . . .
C116 C 0.5225(9) 0.5339(6) 0.9361(6) 0.053(4) Uani 1 1 d . . . . .
H116 H 0.558649 0.548716 0.958132 0.063 Uiso 1 1 calc R U . . .
C118 C 0.5555(9) 0.1196(6) 0.9533(5) 0.058(4) Uani 1 1 d . . . . .
H118 H 0.566191 0.084815 0.962444 0.070 Uiso 1 1 calc R U . . .
C120 C -0.1176(9) -0.0186(5) 0.6772(6) 0.054(4) Uani 1 1 d . . . . .
H120 H -0.120709 -0.011497 0.710960 0.065 Uiso 1 1 calc R U . . .
C122 C 0.3541(8) 0.4920(5) 1.0272(5) 0.043(3) Uani 1 1 d . . . . .
C124 C 0.5360(8) 0.1320(6) 0.9050(5) 0.047(4) Uani 1 1 d . . . . .
H124 H 0.533144 0.105064 0.881531 0.057 Uiso 1 1 calc R U . . .
C126 C 0.5332(8) 0.5254(6) 1.0870(5) 0.050(4) Uani 1 1 d . . . . .
H126 H 0.545495 0.490343 1.094003 0.060 Uiso 1 1 calc R U . . .
C128 C 0.4597(7) 0.1810(5) 0.6146(4) 0.035(3) Uani 1 1 d . . . . .
C130 C 0.0628(8) 0.1987(6) 0.6305(5) 0.049(4) Uani 1 1 d . . . . .
H130 H 0.073085 0.173037 0.606641 0.059 Uiso 1 1 calc R U . . .
C132 C -0.0259(9) 0.2556(6) 0.6689(6) 0.060(5) Uani 1 1 d . . . . .
H132 H -0.076698 0.269427 0.672534 0.071 Uiso 1 1 calc R U . . .
C134 C 0.0144(9) 0.2876(7) 0.8917(5) 0.056(4) Uani 1 1 d . . . . .
H134 H -0.026427 0.300596 0.911400 0.067 Uiso 1 1 calc R U . . .
C136 C 0.4654(10) 0.5887(6) 1.0415(5) 0.057(4) Uani 1 1 d . . . . .
H136 H 0.429629 0.597987 1.016761 0.069 Uiso 1 1 calc R U . . .
C17 C 0.2053(10) 0.2154(7) 0.4989(6) 0.063(5) Uani 1 1 d . . . . .
H17 H 0.197782 0.188015 0.476294 0.076 Uiso 1 1 calc R U . . .
C69 C 0.2535(8) 0.1085(6) 0.8678(6) 0.055(4) Uani 1 1 d . . . . .
H69 H 0.268062 0.102886 0.900630 0.066 Uiso 1 1 calc R U . . .
C35 C 0.1528(8) -0.1032(6) 0.7690(5) 0.057(4) Uani 1 1 d . . . . .
H35 H 0.189696 -0.101188 0.794497 0.068 Uiso 1 1 calc R U . . .
C71 C -0.0113(8) 0.0245(5) 0.7761(6) 0.049(4) Uani 1 1 d . . . . .
H71 H -0.006989 -0.010633 0.785822 0.059 Uiso 1 1 calc R U . . .
C9 C -0.1860(9) -0.0288(7) 0.6525(8) 0.067(5) Uani 1 1 d . . . . .
H9 H -0.234464 -0.027865 0.668949 0.081 Uiso 1 1 calc R U . . .
C73 C 0.4861(11) 0.3206(7) 0.5053(6) 0.069(5) Uani 1 1 d . . . . .
H73 H 0.490958 0.292352 0.483463 0.083 Uiso 1 1 calc R U . . .
C37 C 0.1839(8) 0.0888(6) 0.8501(6) 0.055(4) Uani 1 1 d . . . . .
H37 H 0.150546 0.068829 0.870251 0.066 Uiso 1 1 calc R U . . .
C75 C 0.1492(9) 0.0688(6) 0.5827(6) 0.061(4) Uani 1 1 d . . . . .
H75 H 0.136545 0.088365 0.554627 0.073 Uiso 1 1 calc R U . . .
C19 C 0.2770(14) 0.2296(8) 0.9941(7) 0.092(7) Uani 1 1 d . . . . .
H19 H 0.279195 0.195452 1.006946 0.110 Uiso 1 1 calc R U . . .
C77 C 0.2109(13) 0.3055(7) 0.5168(6) 0.084(6) Uani 1 1 d . . . . .
H77 H 0.208974 0.340528 0.506279 0.101 Uiso 1 1 calc R U . . .
C39 C -0.0115(9) 0.2183(6) 0.6340(6) 0.059(4) Uani 1 1 d . . . . .
H39 H -0.051659 0.206515 0.613113 0.071 Uiso 1 1 calc R U . . .
C79 C 0.5634(9) 0.5639(8) 1.1165(6) 0.073(6) Uani 1 1 d . . . . .
H79 H 0.597794 0.554760 1.142052 0.088 Uiso 1 1 calc R U . . .
C5 C 0.0650(9) 0.2209(6) 0.8401(6) 0.061(4) Uani 1 1 d . . . . .
H5 H 0.058891 0.188326 0.824490 0.073 Uiso 1 1 calc R U . . .
C81 C 0.5249(10) 0.2196(7) 0.9255(6) 0.063(5) Uani 1 1 d . . . . .
H81 H 0.514814 0.254606 0.916816 0.075 Uiso 1 1 calc R U . . .
C41 C 0.6942(7) 0.2709(3) 0.6592(4) 0.084(6) Uani 1 1 d G U . . .
H41 H 0.704276 0.236051 0.668451 0.101 Uiso 1 1 calc R U . . .
C83 C 0.7504(5) 0.2991(5) 0.6345(4) 0.080(5) Uani 1 1 d G U . . .
H83 H 0.798924 0.283603 0.626851 0.096 Uiso 1 1 calc R U . . .
C21 C 0.7356(5) 0.3500(5) 0.6210(4) 0.073(5) Uani 1 1 d G U . . .
H21 H 0.774050 0.369347 0.604144 0.088 Uiso 1 1 calc R U . . .
C85 C 0.6646(5) 0.3727(3) 0.6323(3) 0.059(5) Uani 1 1 d G . . . .
H85 H 0.654528 0.407538 0.623037 0.071 Uiso 1 1 calc R U . . .
C43 C 0.6084(4) 0.3445(4) 0.6570(3) 0.044(3) Uani 1 1 d G . . . .
C87 C 0.6232(6) 0.2935(4) 0.6705(4) 0.063(4) Uani 1 1 d G . . . .
H87 H 0.584753 0.274242 0.687344 0.076 Uiso 1 1 calc R U . . .
C11 C -0.0273(9) 0.1264(6) 0.7497(6) 0.059(4) Uani 1 1 d . . . . .
H11 H -0.033737 0.161348 0.739753 0.071 Uiso 1 1 calc R U . . .
C89 C 0.2973(9) 0.5218(6) 1.0034(6) 0.054(4) Uani 1 1 d . . . . .
H89 H 0.312001 0.541027 0.975472 0.065 Uiso 1 1 calc R U . . .
C45 C 0.4891(8) 0.4367(5) 1.0191(5) 0.044(3) Uani 1 1 d . . . . .
C91 C -0.0385(9) 0.0608(7) 0.8097(7) 0.067(5) Uani 1 1 d . . . . .
H91 H -0.052084 0.049926 0.841539 0.080 Uiso 1 1 calc R U . . .
C23 C 0.1967(12) 0.2671(7) 0.4848(6) 0.077(6) Uani 1 1 d . . . . .
H23 H 0.180742 0.275150 0.452660 0.092 Uiso 1 1 calc R U . . .
C93 C 0.0915(8) 0.0491(5) 0.6118(5) 0.048(4) Uani 1 1 d . . . . .
H93 H 0.039180 0.055649 0.602768 0.058 Uiso 1 1 calc R U . . .
C47 C 0.3271(9) 0.4649(6) 1.0695(6) 0.054(4) Uani 1 1 d . . . . .
H47 H 0.362844 0.445111 1.088036 0.065 Uiso 1 1 calc R U . . .
C95 C 0.1045(8) 0.0200(5) 0.6538(5) 0.045(3) Uani 1 1 d . . . . .
C3 C 0.2859(10) 0.2373(6) 0.9441(6) 0.063(5) Uani 1 1 d . . . . .
H3 H 0.296923 0.208715 0.923428 0.075 Uiso 1 1 calc R U . . .
C97 C 0.6122(12) 0.3855(7) 1.0209(5) 0.076(6) Uani 1 1 d . . . . .
H97 H 0.667418 0.385176 1.020177 0.091 Uiso 1 1 calc R U . . .
C49 C 0.5335(11) 0.5406(7) 0.8871(6) 0.066(5) Uani 1 1 d . . . . .
H49 H 0.575522 0.561800 0.876827 0.079 Uiso 1 1 calc R U . . .
C99 C 0.2654(13) 0.2704(8) 1.0247(7) 0.082(6) Uani 1 1 d . . . . .
H99 H 0.260687 0.264638 1.058607 0.098 Uiso 1 1 calc R U . . .
C25 C 0.2281(10) 0.0596(7) 0.5952(7) 0.070(5) Uani 1 1 d . . . . .
H25 H 0.269243 0.071319 0.574990 0.084 Uiso 1 1 calc R U . . .
C101 C 0.2604(9) 0.3192(8) 1.0066(6) 0.066(5) Uani 1 1 d . . . . .
H101 H 0.252915 0.347777 1.027799 0.079 Uiso 1 1 calc R U . . .
C51 C 0.5705(9) 0.4326(6) 1.0166(5) 0.055(4) Uani 1 1 d . . . . .
H51 H 0.599457 0.463500 1.011761 0.066 Uiso 1 1 calc R U . . .
C103 C 0.0775(9) -0.1522(6) 0.7135(5) 0.053(4) Uani 1 1 d . . . . .
H103 H 0.061237 -0.184520 0.700407 0.064 Uiso 1 1 calc R U . . .
C13 C -0.1827(11) -0.0400(6) 0.6048(8) 0.072(6) Uani 1 1 d . . . . .
H13 H -0.229145 -0.048120 0.587796 0.087 Uiso 1 1 calc R U . . .
C105 C 0.4812(9) 0.4116(6) 0.5195(6) 0.056(4) Uani 1 1 d . . . . .
H105 H 0.482683 0.446063 0.507431 0.067 Uiso 1 1 calc R U . . .
C53 C 0.1319(10) -0.1513(5) 0.7506(5) 0.054(4) Uani 1 1 d . . . . .
H53 H 0.154005 -0.182317 0.763000 0.065 Uiso 1 1 calc R U . . .
C107 C 0.4853(10) 0.3696(7) 0.4877(6) 0.063(5) Uani 1 1 d . . . . .
H107 H 0.487518 0.375300 0.453653 0.075 Uiso 1 1 calc R U . . .
C27 C -0.0439(9) -0.0181(5) 0.6552(6) 0.047(4) Uani 1 1 d . . . . .
C109 C 0.4516(11) 0.3879(6) 1.0240(5) 0.064(5) Uani 1 1 d . . . . .
H109 H 0.396488 0.387636 1.025228 0.077 Uiso 1 1 calc R U . . .
B1 B 0.0346(10) -0.0050(6) 0.6872(6) 0.043(4) Uani 1 1 d . . . . .
C55 C 0.4592(8) 0.5059(6) 0.9543(5) 0.047(4) Uani 1 1 d . . . . .
B2 B 0.4476(9) 0.4929(6) 1.0128(6) 0.042(4) Uani 1 1 d . . . . .
C111 C 0.4105(9) 0.4821(6) 0.9189(5) 0.057(4) Uani 1 1 d . . . . .
H111 H 0.368105 0.461102 0.928972 0.069 Uiso 1 1 calc R U . . .
C7 C -0.0445(9) -0.0302(6) 0.6065(7) 0.058(5) Uani 1 1 d . . . . .
H7 H 0.003792 -0.032077 0.589868 0.069 Uiso 1 1 calc R U . . .
C113 C 0.5706(13) 0.3400(8) 1.0262(7) 0.082(6) Uani 1 1 d . . . . .
H113 H 0.597399 0.308019 1.029404 0.098 Uiso 1 1 calc R U . . .
C57 C 0.4250(13) 0.4896(8) 0.8688(6) 0.081(6) Uani 1 1 d . . . . .
H57 H 0.390927 0.474401 0.845670 0.097 Uiso 1 1 calc R U . . .
C115 C -0.1126(13) -0.0399(6) 0.5802(6) 0.070(5) Uani 1 1 d . . . . .
H115 H -0.110728 -0.046307 0.546221 0.084 Uiso 1 1 calc R U . . .
C29 C 0.1825(8) 0.0126(7) 0.6651(7) 0.069(5) Uani 1 1 d . . . . .
H29 H 0.195131 -0.007351 0.692944 0.083 Uiso 1 1 calc R U . . .
C117 C 0.5585(12) 0.1576(8) 0.9858(6) 0.082(6) Uani 1 1 d . . . . .
H117 H 0.571693 0.149423 1.018354 0.098 Uiso 1 1 calc R U . . .
C59 C 0.2205(9) 0.5243(7) 1.0190(6) 0.059(4) Uani 1 1 d . . . . .
H59 H 0.184826 0.545630 1.001887 0.071 Uiso 1 1 calc R U . . .
C119 C 0.2429(10) 0.0332(8) 0.6375(8) 0.085(7) Uani 1 1 d . . . . .
H119 H 0.295082 0.028861 0.648078 0.102 Uiso 1 1 calc R U . . .
C15 C 0.5444(10) 0.6153(7) 1.1092(6) 0.066(5) Uani 1 1 d . U . . .
H15 H 0.564155 0.641292 1.130239 0.080 Uiso 1 1 calc R U . . .
C121 C 0.4963(10) 0.6283(7) 1.0709(6) 0.064(5) Uani 1 1 d . . . . .
H121 H 0.484118 0.663508 1.064535 0.077 Uiso 1 1 calc R U . . .
C61 C 0.4898(12) 0.3406(8) 1.0269(7) 0.075(5) Uani 1 1 d . U . . .
H61 H 0.461255 0.309272 1.029415 0.091 Uiso 1 1 calc R U . . .
C123 C 0.5437(14) 0.2073(9) 0.9743(7) 0.097(7) Uani 1 1 d . . . . .
H123 H 0.545693 0.233633 0.998367 0.116 Uiso 1 1 calc R U . . .
C31 C 0.7804(5) 0.2419(5) 0.8255(5) 0.079(6) Uani 1 1 d G U . . .
H31 H 0.829405 0.258002 0.830562 0.094 Uiso 1 1 calc R U . . .
C125 C 0.7196(6) 0.2699(3) 0.8053(4) 0.071(5) Uani 1 1 d G . . . .
H125 H 0.726890 0.305204 0.796582 0.085 Uiso 1 1 calc R U . . .
C63 C 0.6479(5) 0.2464(4) 0.7979(4) 0.055(4) Uani 1 1 d G . . . .
H63 H 0.606299 0.265548 0.784065 0.067 Uiso 1 1 calc R U . . .
C127 C 0.6372(4) 0.1948(4) 0.8106(3) 0.047(3) Uani 1 1 d G . . . .
C2 C 0.6981(5) 0.1667(3) 0.8308(4) 0.062(4) Uani 1 1 d G . . . .
H2 H 0.690737 0.131487 0.839506 0.074 Uiso 1 1 calc R U . . .
C129 C 0.7697(4) 0.1903(5) 0.8382(4) 0.072(5) Uani 1 1 d G . . . .
H129 H 0.811328 0.171142 0.852024 0.086 Uiso 1 1 calc R U . . .
C65 C 0.1955(10) 0.4972(7) 1.0581(7) 0.065(5) Uani 1 1 d . . . . .
H65 H 0.142441 0.498622 1.067522 0.078 Uiso 1 1 calc R U . . .
C131 C 0.2480(10) 0.4672(6) 1.0842(6) 0.064(5) Uani 1 1 d . U . . .
H131 H 0.231085 0.448277 1.111791 0.077 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7908(4) 0.3599(3) 0.8981(2) 0.114(2) Uani 1 1 d . . . . .
Cl2 Cl 0.7984(4) 0.1497(4) 0.6925(3) 0.147(3) Uani 1 1 d . . . . .
Cl4 Cl 0.8075(3) 0.1326(3) 0.5905(3) 0.135(3) Uani 1 1 d . . . . .
Cl8 Cl 0.8776(8) 0.4052(4) 0.9747(3) 0.242(6) Uani 1 1 d . . . . .
C33 C 0.8403(16) 0.4155(11) 0.9211(12) 0.173(16) Uani 1 1 d . . . . .
H33A H 0.882320 0.425227 0.898298 0.207 Uiso 1 1 calc R U . . .
H33B H 0.803441 0.444824 0.922985 0.207 Uiso 1 1 calc R U . . .
C133 C 0.8254(15) 0.1050(8) 0.6466(14) 0.170(16) Uani 1 1 d . . . . .
H13A H 0.881260 0.096374 0.649670 0.204 Uiso 1 1 calc R U . . .
H13B H 0.795064 0.072655 0.650137 0.204 Uiso 1 1 calc R U . . .
Cl3 Cl 0.3985(6) 0.5141(3) 0.6848(5) 0.211(5) Uani 1 1 d D U . . .
Cl5 Cl 0.2377(13) 0.5325(13) 0.7204(9) 0.126(13) Uani 0.36(4) 1 d D U P A 1
C67 C 0.3265(14) 0.5008(12) 0.7289(11) 0.228(18) Uani 1 1 d D U . . .
H67A H 0.316895 0.463044 0.729221 0.274 Uiso 0.36(4) 1 calc R U P A 1
H67B H 0.347222 0.510529 0.761120 0.274 Uiso 0.36(4) 1 calc R U P A 1
H67C H 0.286326 0.477663 0.715130 0.274 Uiso 0.64(4) 1 calc R U P A 2
H67D H 0.350103 0.483557 0.757338 0.274 Uiso 0.64(4) 1 calc R U P A 2
Cl5A Cl 0.288(3) 0.5559(7) 0.7449(10) 0.298(18) Uani 0.64(4) 1 d D . P A 2
Cl6 Cl 0.4220(6) 0.0212(3) 0.8478(5) 0.203(5) Uani 1 1 d D U . . .
Cl7 Cl 0.3117(5) -0.0085(3) 0.7748(4) 0.172(4) Uani 1 1 d D U . . .
C135 C 0.4047(12) 0.0211(12) 0.7836(6) 0.191(15) Uani 1 1 d D U . . .
H13C H 0.404571 0.056997 0.770829 0.229 Uiso 1 1 calc R U . . .
H13D H 0.445642 0.001222 0.766576 0.229 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F3 Dy1 2.267(6) . ?
F3 Dy2 2.262(6) . ?
Dy1 F2 2.268(6) . ?
Dy1 Dy2 3.8080(7) . ?
Dy1 F1 2.264(8) . ?
Dy1 N3 2.659(10) . ?
Dy1 N2 2.654(10) . ?
Dy1 N6 2.626(10) . ?
Dy1 N5 2.657(9) . ?
Dy1 N4 2.635(10) . ?
Dy1 N1 2.630(9) . ?
F2 Dy2 2.271(6) . ?
Dy2 F4 2.105(7) . ?
Dy2 N11 2.660(10) . ?
Dy2 N10 2.706(10) . ?
Dy2 N7 2.672(9) . ?
Dy2 N12 2.645(9) . ?
Dy2 N8 2.639(10) . ?
Dy2 N9 2.661(9) . ?
N3 C36 1.505(16) . ?
N3 C54 1.255(15) . ?
N2 C44 1.501(15) . ?
N2 C76 1.259(15) . ?
N6 C1 1.483(14) . ?
N6 C26 1.273(15) . ?
N11 C60 1.332(17) . ?
N11 C64 1.347(16) . ?
N10 C28 1.479(16) . ?
N10 C52 1.280(16) . ?
N5 C6 1.499(15) . ?
N5 C12 1.258(15) . ?
N7 C38 1.503(15) . ?
N7 C48 1.272(15) . ?
N12 C20 1.279(15) . ?
N12 C56 1.470(15) . ?
C1 H1 1.0000 . ?
C1 C4 1.537(17) . ?
C1 C6 1.522(17) . ?
N4 C10 1.314(15) . ?
N4 C128 1.338(16) . ?
N8 C8 1.344(15) . ?
N8 C18 1.360(15) . ?
N9 C16 1.459(15) . ?
N9 C32 1.295(15) . ?
C4 C124 1.369(19) . ?
C4 C81 1.363(19) . ?
C6 H6 1.0000 . ?
C6 C127 1.512(14) . ?
C8 C42 1.409(17) . ?
C8 C48 1.429(17) . ?
C10 C12 1.461(18) . ?
C10 C24 1.404(18) . ?
C12 H12 0.9500 . ?
C14 C16 1.523(16) . ?
C14 C46 1.378(18) . ?
C14 C92 1.384(19) . ?
C16 H16 1.0000 . ?
C16 C28 1.531(17) . ?
N1 C22 1.327(15) . ?
N1 C70 1.331(16) . ?
C18 C32 1.446(17) . ?
C18 C82 1.397(16) . ?
C20 H20 0.9500 . ?
C20 C64 1.446(18) . ?
C22 C76 1.469(18) . ?
C22 C102 1.386(17) . ?
C24 H24 0.9500 . ?
C24 C96 1.38(2) . ?
C26 H26 0.9500 . ?
C26 C70 1.453(17) . ?
C28 H28 1.0000 . ?
C28 C43 1.510(14) . ?
C30 H30 0.9500 . ?
C30 C40 1.40(2) . ?
C30 C132 1.41(2) . ?
C32 H32 0.9500 . ?
C34 C36 1.523(17) . ?
C34 C78 1.372(19) . ?
C34 C80 1.368(18) . ?
C36 H36 1.0000 . ?
C36 C44 1.535(17) . ?
C38 H38 1.0000 . ?
C38 C56 1.557(17) . ?
C38 C58 1.487(17) . ?
C40 H40 0.9500 . ?
C40 C50 1.369(17) . ?
C42 H42 0.9500 . ?
C42 C84 1.397(17) . ?
C44 H44 1.0000 . ?
C44 C50 1.531(18) . ?
C46 H46 0.9500 . ?
C46 C105 1.397(19) . ?
C48 H48 0.9500 . ?
C50 C130 1.356(19) . ?
C52 H52 0.9500 . ?
C52 C60 1.452(17) . ?
C54 H54 0.9500 . ?
C54 C128 1.452(18) . ?
C56 H56 1.0000 . ?
C56 C66 1.535(16) . ?
C58 C62 1.384(17) . ?
C58 C68 1.402(17) . ?
C60 C88 1.386(18) . ?
C62 H62 0.9500 . ?
C62 C5 1.39(2) . ?
C64 C100 1.405(17) . ?
C66 C90 1.39(2) . ?
C66 C3 1.38(2) . ?
C68 H68 0.9500 . ?
C68 C134 1.405(19) . ?
C70 C69 1.394(18) . ?
C72 C106 1.394(18) . ?
C72 C71 1.38(2) . ?
C72 B1 1.65(2) . ?
C74 H74 0.9500 . ?
C74 C108 1.371(19) . ?
C74 C103 1.357(19) . ?
C76 H76 0.9500 . ?
C78 H78 0.9500 . ?
C78 C77 1.40(2) . ?
C80 H80 0.9500 . ?
C80 C17 1.37(2) . ?
C82 H82 0.9500 . ?
C82 C84 1.374(18) . ?
C84 H84 0.9500 . ?
C86 H86 0.9500 . ?
C86 C134 1.38(2) . ?
C86 C5 1.38(2) . ?
C88 H88 0.9500 . ?
C88 C110 1.400(19) . ?
C90 H90 0.9500 . ?
C90 C101 1.39(2) . ?
C92 H92 0.9500 . ?
C92 C73 1.38(2) . ?
C94 H94 0.9500 . ?
C94 C108 1.418(17) . ?
C94 C35 1.373(17) . ?
C96 H96 0.9500 . ?
C96 C114 1.35(2) . ?
C98 C126 1.413(19) . ?
C98 C136 1.40(2) . ?
C98 B2 1.59(2) . ?
C100 H100 0.9500 . ?
C100 C110 1.370(19) . ?
C102 H102 0.9500 . ?
C102 C37 1.38(2) . ?
C104 H104 0.9500 . ?
C104 C11 1.40(2) . ?
C104 C91 1.36(2) . ?
C106 H106 0.9500 . ?
C106 C11 1.38(2) . ?
C108 B1 1.65(2) . ?
C110 H110 0.9500 . ?
C112 H112 0.9500 . ?
C112 C49 1.36(2) . ?
C112 C57 1.39(3) . ?
C114 H114 0.9500 . ?
C114 C128 1.435(17) . ?
C116 H116 0.9500 . ?
C116 C49 1.37(2) . ?
C116 C55 1.40(2) . ?
C118 H118 0.9500 . ?
C118 C124 1.410(19) . ?
C118 C117 1.33(2) . ?
C120 H120 0.9500 . ?
C120 C9 1.38(2) . ?
C120 C27 1.41(2) . ?
C122 C89 1.406(19) . ?
C122 C47 1.436(19) . ?
C122 B2 1.66(2) . ?
C124 H124 0.9500 . ?
C126 H126 0.9500 . ?
C126 C79 1.38(2) . ?
C130 H130 0.9500 . ?
C130 C39 1.38(2) . ?
C132 H132 0.9500 . ?
C132 C39 1.38(2) . ?
C134 H134 0.9500 . ?
C136 H136 0.9500 . ?
C136 C121 1.41(2) . ?
C17 H17 0.9500 . ?
C17 C23 1.40(2) . ?
C69 H69 0.9500 . ?
C69 C37 1.39(2) . ?
C35 H35 0.9500 . ?
C35 C53 1.39(2) . ?
C71 H71 0.9500 . ?
C71 C91 1.40(2) . ?
C9 H9 0.9500 . ?
C9 C13 1.35(3) . ?
C73 H73 0.9500 . ?
C73 C107 1.35(2) . ?
C37 H37 0.9500 . ?
C75 H75 0.9500 . ?
C75 C93 1.38(2) . ?
C75 C25 1.42(2) . ?
C19 H19 0.9500 . ?
C19 C3 1.40(2) . ?
C19 C99 1.36(3) . ?
C77 H77 0.9500 . ?
C77 C23 1.35(2) . ?
C39 H39 0.9500 . ?
C79 H79 0.9500 . ?
C79 C15 1.38(2) . ?
C5 H5 0.9500 . ?
C81 H81 0.9500 . ?
C81 C123 1.42(2) . ?
C41 H41 0.9500 . ?
C41 C83 1.3900 . ?
C41 C87 1.3900 . ?
C83 H83 0.9500 . ?
C83 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C43 1.3900 . ?
C43 C87 1.3900 . ?
C87 H87 0.9500 . ?
C11 H11 0.9500 . ?
C89 H89 0.9500 . ?
C89 C59 1.39(2) . ?
C45 C51 1.41(2) . ?
C45 C109 1.42(2) . ?
C45 B2 1.63(2) . ?
C91 H91 0.9500 . ?
C23 H23 0.9500 . ?
C93 H93 0.9500 . ?
C93 C95 1.398(19) . ?
C47 H47 0.9500 . ?
C47 C131 1.42(2) . ?
C95 B1 1.65(2) . ?
C95 C29 1.391(19) . ?
C3 H3 0.9500 . ?
C97 H97 0.9500 . ?
C97 C51 1.42(2) . ?
C97 C113 1.38(3) . ?
C49 H49 0.9500 . ?
C99 H99 0.9500 . ?
C99 C101 1.36(2) . ?
C25 H25 0.9500 . ?
C25 C119 1.37(3) . ?
C101 H101 0.9500 . ?
C51 H51 0.9500 . ?
C103 H103 0.9500 . ?
C103 C53 1.39(2) . ?
C13 H13 0.9500 . ?
C13 C115 1.38(3) . ?
C105 H105 0.9500 . ?
C105 C107 1.40(2) . ?
C53 H53 0.9500 . ?
C107 H107 0.9500 . ?
C27 B1 1.65(2) . ?
C27 C7 1.38(2) . ?
C109 H109 0.9500 . ?
C109 C61 1.39(2) . ?
C55 B2 1.66(2) . ?
C55 C111 1.427(19) . ?
C111 H111 0.9500 . ?
C111 C57 1.42(2) . ?
C7 H7 0.9500 . ?
C7 C115 1.40(2) . ?
C113 H113 0.9500 . ?
C113 C61 1.39(3) . ?
C57 H57 0.9500 . ?
C115 H115 0.9500 . ?
C29 H29 0.9500 . ?
C29 C119 1.39(2) . ?
C117 H117 0.9500 . ?
C117 C123 1.35(3) . ?
C59 H59 0.9500 . ?
C59 C65 1.35(2) . ?
C119 H119 0.9500 . ?
C15 H15 0.9500 . ?
C15 C121 1.38(2) . ?
C121 H121 0.9500 . ?
C61 H61 0.9500 . ?
C123 H123 0.9500 . ?
C31 H31 0.9500 . ?
C31 C125 1.3900 . ?
C31 C129 1.3900 . ?
C125 H125 0.9500 . ?
C125 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C127 1.3900 . ?
C127 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C129 1.3900 . ?
C129 H129 0.9500 . ?
C65 H65 0.9500 . ?
C65 C131 1.39(2) . ?
C131 H131 0.9500 . ?
Cl1 C33 1.78(3) . ?
Cl2 C133 1.77(3) . ?
Cl4 C133 1.73(3) . ?
Cl8 C33 1.63(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C133 H13A 0.9900 . ?
C133 H13B 0.9900 . ?
Cl3 C67 1.767(12) . ?
Cl5 C67 1.750(12) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C67 H67C 0.9900 . ?
C67 H67D 0.9900 . ?
C67 Cl5A 1.63(2) . ?
Cl6 C135 1.794(12) . ?
Cl7 C135 1.791(12) . ?
C135 H13C 0.9900 . ?
C135 H13D 0.9900 . ?

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
Dy2 F3 Dy1 114.4(3) . . ?
F3 Dy1 F2 65.7(2) . . ?
F3 Dy1 Dy2 32.75(16) . . ?
F3 Dy1 N3 84.8(3) . . ?
F3 Dy1 N2 71.7(3) . . ?
F3 Dy1 N6 91.6(3) . . ?
F3 Dy1 N5 129.6(3) . . ?
F3 Dy1 N4 130.3(3) . . ?
F3 Dy1 N1 80.7(3) . . ?
F2 Dy1 Dy2 32.98(16) . . ?
F2 Dy1 N3 93.4(3) . . ?
F2 Dy1 N2 131.5(3) . . ?
F2 Dy1 N6 82.7(3) . . ?
F2 Dy1 N5 69.5(3) . . ?
F2 Dy1 N4 81.2(3) . . ?
F2 Dy1 N1 129.7(3) . . ?
F1 Dy1 F3 149.1(2) . . ?
F1 Dy1 F2 144.9(2) . . ?
F1 Dy1 Dy2 176.61(19) . . ?
F1 Dy1 N3 94.6(3) . . ?
F1 Dy1 N2 81.3(3) . . ?
F1 Dy1 N6 89.8(3) . . ?
F1 Dy1 N5 77.0(3) . . ?
F1 Dy1 N4 73.4(3) . . ?
F1 Dy1 N1 73.0(3) . . ?
N3 Dy1 Dy2 88.4(2) . . ?
N2 Dy1 Dy2 101.6(2) . . ?
N2 Dy1 N3 60.0(3) . . ?
N2 Dy1 N5 158.2(3) . . ?
N6 Dy1 Dy2 87.1(2) . . ?
N6 Dy1 N3 175.6(3) . . ?
N6 Dy1 N2 121.3(3) . . ?
N6 Dy1 N5 60.3(3) . . ?
N6 Dy1 N4 120.9(3) . . ?
N6 Dy1 N1 61.1(3) . . ?
N5 Dy1 Dy2 100.2(2) . . ?
N5 Dy1 N3 120.3(3) . . ?
N4 Dy1 Dy2 106.9(2) . . ?
N4 Dy1 N3 60.3(3) . . ?
N4 Dy1 N2 111.7(3) . . ?
N4 Dy1 N5 60.7(3) . . ?
N1 Dy1 Dy2 106.7(2) . . ?
N1 Dy1 N3 120.7(3) . . ?
N1 Dy1 N2 60.8(3) . . ?
N1 Dy1 N5 112.9(3) . . ?
N1 Dy1 N4 146.4(3) . . ?
Dy1 F2 Dy2 114.1(3) . . ?
F3 Dy2 Dy1 32.82(16) . . ?
F3 Dy2 F2 65.7(2) . . ?
F3 Dy2 N11 128.6(3) . . ?
F3 Dy2 N10 130.7(3) . . ?
F3 Dy2 N7 67.6(3) . . ?
F3 Dy2 N12 83.2(3) . . ?
F3 Dy2 N8 80.8(3) . . ?
F3 Dy2 N9 95.9(3) . . ?
F2 Dy2 Dy1 32.93(16) . . ?
F2 Dy2 N11 82.4(3) . . ?
F2 Dy2 N10 68.7(3) . . ?
F2 Dy2 N7 130.0(3) . . ?
F2 Dy2 N12 96.8(3) . . ?
F2 Dy2 N8 126.3(3) . . ?
F2 Dy2 N9 80.9(3) . . ?
F4 Dy2 F3 146.0(3) . . ?
F4 Dy2 Dy1 178.3(2) . . ?
F4 Dy2 F2 148.2(3) . . ?
F4 Dy2 N11 74.3(3) . . ?
F4 Dy2 N10 80.9(3) . . ?
F4 Dy2 N7 80.2(3) . . ?
F4 Dy2 N12 90.5(3) . . ?
F4 Dy2 N8 73.8(3) . . ?
F4 Dy2 N9 91.4(3) . . ?
N11 Dy2 Dy1 107.4(2) . . ?
N11 Dy2 N10 60.2(3) . . ?
N11 Dy2 N7 114.6(3) . . ?
N11 Dy2 N9 118.6(3) . . ?
N10 Dy2 Dy1 99.8(2) . . ?
N7 Dy2 Dy1 99.1(2) . . ?
N7 Dy2 N10 161.1(3) . . ?
N12 Dy2 Dy1 90.5(2) . . ?
N12 Dy2 N11 60.8(3) . . ?
N12 Dy2 N10 120.5(3) . . ?
N12 Dy2 N7 60.3(3) . . ?
N12 Dy2 N9 177.7(3) . . ?
N8 Dy2 Dy1 104.5(2) . . ?
N8 Dy2 N11 148.1(3) . . ?
N8 Dy2 N10 113.1(3) . . ?
N8 Dy2 N7 60.5(3) . . ?
N8 Dy2 N12 120.5(3) . . ?
N8 Dy2 N9 61.2(3) . . ?
N9 Dy2 Dy1 87.6(2) . . ?
N9 Dy2 N10 58.7(3) . . ?
N9 Dy2 N7 121.2(3) . . ?
C36 N3 Dy1 117.6(7) . . ?
C54 N3 Dy1 121.4(9) . . ?
C54 N3 C36 120.2(11) . . ?
C44 N2 Dy1 124.6(7) . . ?
C76 N2 Dy1 120.2(8) . . ?
C76 N2 C44 114.7(10) . . ?
C1 N6 Dy1 119.0(7) . . ?
C26 N6 Dy1 121.5(8) . . ?
C26 N6 C1 119.2(10) . . ?
C60 N11 Dy2 121.7(8) . . ?
C60 N11 C64 116.9(11) . . ?
C64 N11 Dy2 119.2(8) . . ?
C28 N10 Dy2 124.8(7) . . ?
C52 N10 Dy2 119.6(8) . . ?
C52 N10 C28 115.6(11) . . ?
C6 N5 Dy1 123.7(7) . . ?
C12 N5 Dy1 120.4(9) . . ?
C12 N5 C6 115.6(10) . . ?
C38 N7 Dy2 124.7(7) . . ?
C48 N7 Dy2 120.5(8) . . ?
C48 N7 C38 114.6(10) . . ?
C20 N12 Dy2 121.4(8) . . ?
C20 N12 C56 119.4(10) . . ?
C56 N12 Dy2 118.5(7) . . ?
N6 C1 H1 108.1 . . ?
N6 C1 C4 115.7(10) . . ?
N6 C1 C6 107.9(10) . . ?
C4 C1 H1 108.1 . . ?
C6 C1 H1 108.1 . . ?
C6 C1 C4 108.8(10) . . ?
C10 N4 Dy1 120.4(8) . . ?
C10 N4 C128 116.8(11) . . ?
C128 N4 Dy1 120.9(8) . . ?
C8 N8 Dy2 121.3(8) . . ?
C8 N8 C18 117.3(10) . . ?
C18 N8 Dy2 120.9(8) . . ?
C16 N9 Dy2 120.3(7) . . ?
C32 N9 Dy2 119.7(8) . . ?
C32 N9 C16 119.4(10) . . ?
C124 C4 C1 121.4(12) . . ?
C81 C4 C1 120.6(13) . . ?
C81 C4 C124 118.0(14) . . ?
N5 C6 C1 109.0(9) . . ?
N5 C6 H6 107.9 . . ?
N5 C6 C127 113.7(9) . . ?
C1 C6 H6 107.9 . . ?
C127 C6 C1 110.3(10) . . ?
C127 C6 H6 107.9 . . ?
N8 C8 C42 123.4(11) . . ?
N8 C8 C48 116.3(11) . . ?
C42 C8 C48 120.3(11) . . ?
N4 C10 C12 116.2(11) . . ?
N4 C10 C24 124.0(12) . . ?
C24 C10 C12 119.7(12) . . ?
N5 C12 C10 119.9(12) . . ?
N5 C12 H12 120.1 . . ?
C10 C12 H12 120.1 . . ?
C46 C14 C16 120.4(12) . . ?
C46 C14 C92 120.4(12) . . ?
C92 C14 C16 119.2(12) . . ?
N9 C16 C14 118.8(10) . . ?
N9 C16 H16 106.2 . . ?
N9 C16 C28 108.4(10) . . ?
C14 C16 H16 106.2 . . ?
C14 C16 C28 110.2(10) . . ?
C28 C16 H16 106.2 . . ?
C22 N1 Dy1 120.9(8) . . ?
C22 N1 C70 117.3(10) . . ?
C70 N1 Dy1 121.2(8) . . ?
N8 C18 C32 115.6(10) . . ?
N8 C18 C82 123.0(11) . . ?
C82 C18 C32 121.3(11) . . ?
N12 C20 H20 120.4 . . ?
N12 C20 C64 119.3(11) . . ?
C64 C20 H20 120.4 . . ?
N1 C22 C76 115.7(11) . . ?
N1 C22 C102 124.2(12) . . ?
C102 C22 C76 120.1(12) . . ?
C10 C24 H24 120.8 . . ?
C96 C24 C10 118.3(13) . . ?
C96 C24 H24 120.8 . . ?
N6 C26 H26 120.1 . . ?
N6 C26 C70 119.8(11) . . ?
C70 C26 H26 120.1 . . ?
N10 C28 C16 109.0(10) . . ?
N10 C28 H28 108.1 . . ?
N10 C28 C43 112.6(10) . . ?
C16 C28 H28 108.1 . . ?
C43 C28 C16 110.8(10) . . ?
C43 C28 H28 108.1 . . ?
C40 C30 H30 120.3 . . ?
C40 C30 C132 119.4(15) . . ?
C132 C30 H30 120.3 . . ?
N9 C32 C18 120.7(11) . . ?
N9 C32 H32 119.6 . . ?
C18 C32 H32 119.6 . . ?
C78 C34 C36 118.4(12) . . ?
C80 C34 C36 122.6(12) . . ?
C80 C34 C78 119.0(13) . . ?
N3 C36 C34 116.1(11) . . ?
N3 C36 H36 107.6 . . ?
N3 C36 C44 106.7(10) . . ?
C34 C36 H36 107.6 . . ?
C34 C36 C44 110.9(11) . . ?
C44 C36 H36 107.6 . . ?
N7 C38 H38 108.0 . . ?
N7 C38 C56 107.4(10) . . ?
C56 C38 H38 108.0 . . ?
C58 C38 N7 114.6(10) . . ?
C58 C38 H38 108.0 . . ?
C58 C38 C56 110.6(10) . . ?
C30 C40 H40 120.2 . . ?
C50 C40 C30 119.7(14) . . ?
C50 C40 H40 120.2 . . ?
C8 C42 H42 121.2 . . ?
C84 C42 C8 117.5(13) . . ?
C84 C42 H42 121.2 . . ?
N2 C44 C36 109.0(10) . . ?
N2 C44 H44 108.6 . . ?
N2 C44 C50 111.7(9) . . ?
C36 C44 H44 108.6 . . ?
C50 C44 C36 110.2(10) . . ?
C50 C44 H44 108.6 . . ?
C14 C46 H46 120.0 . . ?
C14 C46 C105 119.9(14) . . ?
C105 C46 H46 120.0 . . ?
N7 C48 C8 120.8(11) . . ?
N7 C48 H48 119.6 . . ?
C8 C48 H48 119.6 . . ?
C40 C50 C44 118.9(12) . . ?
C130 C50 C40 119.9(14) . . ?
C130 C50 C44 121.2(12) . . ?
N10 C52 H52 119.5 . . ?
N10 C52 C60 121.1(12) . . ?
C60 C52 H52 119.5 . . ?
N3 C54 H54 120.1 . . ?
N3 C54 C128 119.7(11) . . ?
C128 C54 H54 120.1 . . ?
N12 C56 C38 109.4(9) . . ?
N12 C56 H56 107.2 . . ?
N12 C56 C66 116.8(10) . . ?
C38 C56 H56 107.2 . . ?
C66 C56 C38 108.6(10) . . ?
C66 C56 H56 107.2 . . ?
C62 C58 C38 120.4(12) . . ?
C62 C58 C68 120.5(12) . . ?
C68 C58 C38 119.1(11) . . ?
N11 C60 C52 115.3(12) . . ?
N11 C60 C88 123.5(12) . . ?
C88 C60 C52 121.1(13) . . ?
C58 C62 H62 120.0 . . ?
C58 C62 C5 119.9(14) . . ?
C5 C62 H62 120.0 . . ?
N11 C64 C20 117.0(11) . . ?
N11 C64 C100 123.2(13) . . ?
C100 C64 C20 119.8(12) . . ?
C90 C66 C56 122.8(12) . . ?
C3 C66 C56 119.1(13) . . ?
C3 C66 C90 118.0(13) . . ?
C58 C68 H68 120.7 . . ?
C58 C68 C134 118.5(13) . . ?
C134 C68 H68 120.7 . . ?
N1 C70 C26 116.0(10) . . ?
N1 C70 C69 122.6(12) . . ?
C69 C70 C26 121.3(12) . . ?
C106 C72 B1 120.6(13) . . ?
C71 C72 C106 115.1(13) . . ?
C71 C72 B1 124.0(12) . . ?
C108 C74 H74 117.9 . . ?
C103 C74 H74 117.9 . . ?
C103 C74 C108 124.1(15) . . ?
N2 C76 C22 119.8(11) . . ?
N2 C76 H76 120.1 . . ?
C22 C76 H76 120.1 . . ?
C34 C78 H78 120.2 . . ?
C34 C78 C77 119.5(15) . . ?
C77 C78 H78 120.2 . . ?
C34 C80 H80 118.8 . . ?
C34 C80 C17 122.3(15) . . ?
C17 C80 H80 118.8 . . ?
C18 C82 H82 120.7 . . ?
C84 C82 C18 118.6(12) . . ?
C84 C82 H82 120.7 . . ?
C42 C84 H84 120.0 . . ?
C82 C84 C42 120.0(12) . . ?
C82 C84 H84 120.0 . . ?
C134 C86 H86 119.8 . . ?
C134 C86 C5 120.4(14) . . ?
C5 C86 H86 119.8 . . ?
C60 C88 H88 120.3 . . ?
C60 C88 C110 119.3(13) . . ?
C110 C88 H88 120.3 . . ?
C66 C90 H90 119.3 . . ?
C66 C90 C101 121.4(16) . . ?
C101 C90 H90 119.3 . . ?
C14 C92 H92 120.5 . . ?
C73 C92 C14 119.1(15) . . ?
C73 C92 H92 120.5 . . ?
C108 C94 H94 119.0 . . ?
C35 C94 H94 119.0 . . ?
C35 C94 C108 122.1(12) . . ?
C24 C96 H96 120.0 . . ?
C114 C96 C24 120.0(13) . . ?
C114 C96 H96 120.0 . . ?
C126 C98 B2 124.0(14) . . ?
C136 C98 C126 114.4(13) . . ?
C136 C98 B2 121.4(13) . . ?
C64 C100 H100 120.5 . . ?
C110 C100 C64 119.1(13) . . ?
C110 C100 H100 120.5 . . ?
C22 C102 H102 120.8 . . ?
C37 C102 C22 118.5(13) . . ?
C37 C102 H102 120.8 . . ?
C11 C104 H104 120.6 . . ?
C91 C104 H104 120.6 . . ?
C91 C104 C11 118.9(16) . . ?
C72 C106 H106 118.4 . . ?
C11 C106 C72 123.3(15) . . ?
C11 C106 H106 118.4 . . ?
C74 C108 C94 114.8(12) . . ?
C74 C108 B1 123.7(13) . . ?
C94 C108 B1 121.3(12) . . ?
C88 C110 H110 121.1 . . ?
C100 C110 C88 117.9(12) . . ?
C100 C110 H110 121.1 . . ?
C49 C112 H112 121.6 . . ?
C49 C112 C57 116.7(17) . . ?
C57 C112 H112 121.6 . . ?
C96 C114 H114 121.3 . . ?
C96 C114 C128 117.5(14) . . ?
C128 C114 H114 121.3 . . ?
C49 C116 H116 119.2 . . ?
C49 C116 C55 121.7(16) . . ?
C55 C116 H116 119.2 . . ?
C124 C118 H118 120.8 . . ?
C117 C118 H118 120.8 . . ?
C117 C118 C124 118.5(16) . . ?
C9 C120 H120 118.1 . . ?
C9 C120 C27 123.8(16) . . ?
C27 C120 H120 118.1 . . ?
C89 C122 C47 114.8(13) . . ?
C89 C122 B2 123.8(13) . . ?
C47 C122 B2 121.0(12) . . ?
C4 C124 C118 121.5(14) . . ?
C4 C124 H124 119.2 . . ?
C118 C124 H124 119.2 . . ?
C98 C126 H126 118.7 . . ?
C79 C126 C98 122.7(16) . . ?
C79 C126 H126 118.7 . . ?
N4 C128 C54 115.8(10) . . ?
N4 C128 C114 123.3(13) . . ?
C114 C128 C54 120.9(12) . . ?
C50 C130 H130 118.6 . . ?
C50 C130 C39 122.9(15) . . ?
C39 C130 H130 118.6 . . ?
C30 C132 H132 120.0 . . ?
C39 C132 C30 120.1(15) . . ?
C39 C132 H132 120.0 . . ?
C68 C134 H134 119.8 . . ?
C86 C134 C68 120.4(14) . . ?
C86 C134 H134 119.8 . . ?
C98 C136 H136 118.3 . . ?
C98 C136 C121 123.5(16) . . ?
C121 C136 H136 118.3 . . ?
C80 C17 H17 120.9 . . ?
C80 C17 C23 118.2(15) . . ?
C23 C17 H17 120.9 . . ?
C70 C69 H69 120.5 . . ?
C37 C69 C70 119.1(14) . . ?
C37 C69 H69 120.5 . . ?
C94 C35 H35 119.5 . . ?
C94 C35 C53 120.9(14) . . ?
C53 C35 H35 119.5 . . ?
C72 C71 H71 118.5 . . ?
C72 C71 C91 122.9(15) . . ?
C91 C71 H71 118.5 . . ?
C120 C9 H9 120.5 . . ?
C13 C9 C120 119.0(17) . . ?
C13 C9 H9 120.5 . . ?
C92 C73 H73 119.3 . . ?
C107 C73 C92 121.5(16) . . ?
C107 C73 H73 119.3 . . ?
C102 C37 C69 118.2(14) . . ?
C102 C37 H37 120.9 . . ?
C69 C37 H37 120.9 . . ?
C93 C75 H75 120.4 . . ?
C93 C75 C25 119.2(15) . . ?
C25 C75 H75 120.4 . . ?
C3 C19 H19 119.5 . . ?
C99 C19 H19 119.5 . . ?
C99 C19 C3 121.0(18) . . ?
C78 C77 H77 119.7 . . ?
C23 C77 C78 120.7(17) . . ?
C23 C77 H77 119.7 . . ?
C130 C39 C132 118.1(15) . . ?
C130 C39 H39 121.0 . . ?
C132 C39 H39 121.0 . . ?
C126 C79 H79 119.5 . . ?
C15 C79 C126 121.0(16) . . ?
C15 C79 H79 119.5 . . ?
C62 C5 H5 119.9 . . ?
C86 C5 C62 120.2(16) . . ?
C86 C5 H5 119.9 . . ?
C4 C81 H81 119.6 . . ?
C4 C81 C123 120.7(17) . . ?
C123 C81 H81 119.6 . . ?
C83 C41 H41 120.0 . . ?
C83 C41 C87 120.0 . . ?
C87 C41 H41 120.0 . . ?
C41 C83 H83 120.0 . . ?
C21 C83 C41 120.0 . . ?
C21 C83 H83 120.0 . . ?
C83 C21 H21 120.0 . . ?
C83 C21 C85 120.0 . . ?
C85 C21 H21 120.0 . . ?
C21 C85 H85 120.0 . . ?
C43 C85 C21 120.0 . . ?
C43 C85 H85 120.0 . . ?
C85 C43 C28 120.7(8) . . ?
C85 C43 C87 120.0 . . ?
C87 C43 C28 119.3(8) . . ?
C41 C87 H87 120.0 . . ?
C43 C87 C41 120.0 . . ?
C43 C87 H87 120.0 . . ?
C104 C11 H11 120.3 . . ?
C106 C11 C104 119.5(15) . . ?
C106 C11 H11 120.3 . . ?
C122 C89 H89 118.6 . . ?
C59 C89 C122 122.8(15) . . ?
C59 C89 H89 118.6 . . ?
C51 C45 C109 113.0(14) . . ?
C51 C45 B2 119.9(13) . . ?
C109 C45 B2 126.9(14) . . ?
C104 C91 C71 120.3(17) . . ?
C104 C91 H91 119.8 . . ?
C71 C91 H91 119.8 . . ?
C17 C23 H23 120.0 . . ?
C77 C23 C17 120.1(16) . . ?
C77 C23 H23 120.0 . . ?
C75 C93 H93 117.7 . . ?
C75 C93 C95 124.5(14) . . ?
C95 C93 H93 117.7 . . ?
C122 C47 H47 119.3 . . ?
C131 C47 C122 121.5(15) . . ?
C131 C47 H47 119.3 . . ?
C93 C95 B1 123.8(12) . . ?
C29 C95 C93 114.4(13) . . ?
C29 C95 B1 121.8(13) . . ?
C66 C3 C19 119.9(17) . . ?
C66 C3 H3 120.1 . . ?
C19 C3 H3 120.1 . . ?
C51 C97 H97 120.8 . . ?
C113 C97 H97 120.8 . . ?
C113 C97 C51 118.3(18) . . ?
C112 C49 C116 123.9(18) . . ?
C112 C49 H49 118.1 . . ?
C116 C49 H49 118.1 . . ?
C19 C99 H99 120.0 . . ?
C101 C99 C19 120.0(17) . . ?
C101 C99 H99 120.0 . . ?
C75 C25 H25 121.1 . . ?
C119 C25 C75 117.7(16) . . ?
C119 C25 H25 121.1 . . ?
C90 C101 H101 120.1 . . ?
C99 C101 C90 119.7(17) . . ?
C99 C101 H101 120.1 . . ?
C45 C51 C97 124.4(17) . . ?
C45 C51 H51 117.8 . . ?
C97 C51 H51 117.8 . . ?
C74 C103 H103 119.6 . . ?
C74 C103 C53 120.8(14) . . ?
C53 C103 H103 119.6 . . ?
C9 C13 H13 119.5 . . ?
C9 C13 C115 121.0(16) . . ?
C115 C13 H13 119.5 . . ?
C46 C105 H105 120.5 . . ?
C107 C105 C46 119.1(14) . . ?
C107 C105 H105 120.5 . . ?
C35 C53 C103 117.3(12) . . ?
C35 C53 H53 121.3 . . ?
C103 C53 H53 121.3 . . ?
C73 C107 C105 120.0(14) . . ?
C73 C107 H107 120.0 . . ?
C105 C107 H107 120.0 . . ?
C120 C27 B1 120.7(14) . . ?
C7 C27 C120 114.2(14) . . ?
C7 C27 B1 125.1(14) . . ?
C45 C109 H109 117.6 . . ?
C61 C109 C45 124.7(18) . . ?
C61 C109 H109 117.6 . . ?
C72 B1 C108 111.0(12) . . ?
C95 B1 C72 108.7(12) . . ?
C95 B1 C108 109.0(11) . . ?
C95 B1 C27 112.3(12) . . ?
C27 B1 C72 107.4(11) . . ?
C27 B1 C108 108.5(12) . . ?
C116 C55 B2 123.2(13) . . ?
C116 C55 C111 115.7(14) . . ?
C111 C55 B2 120.4(13) . . ?
C98 B2 C122 104.9(11) . . ?
C98 B2 C45 112.8(12) . . ?
C98 B2 C55 112.4(12) . . ?
C122 B2 C55 110.6(11) . . ?
C45 B2 C122 112.9(12) . . ?
C45 B2 C55 103.5(11) . . ?
C55 C111 H111 119.9 . . ?
C57 C111 C55 120.3(17) . . ?
C57 C111 H111 119.9 . . ?
C27 C7 H7 118.3 . . ?
C27 C7 C115 123.5(18) . . ?
C115 C7 H7 118.3 . . ?
C97 C113 H113 119.7 . . ?
C97 C113 C61 120.6(18) . . ?
C61 C113 H113 119.7 . . ?
C112 C57 C111 121.5(18) . . ?
C112 C57 H57 119.2 . . ?
C111 C57 H57 119.2 . . ?
C13 C115 C7 118.4(16) . . ?
C13 C115 H115 120.8 . . ?
C7 C115 H115 120.8 . . ?
C95 C29 H29 118.4 . . ?
C95 C29 C119 123.2(16) . . ?
C119 C29 H29 118.4 . . ?
C118 C117 H117 118.7 . . ?
C118 C117 C123 122.6(17) . . ?
C123 C117 H117 118.7 . . ?
C89 C59 H59 119.2 . . ?
C65 C59 C89 121.6(16) . . ?
C65 C59 H59 119.2 . . ?
C25 C119 C29 120.9(16) . . ?
C25 C119 H119 119.6 . . ?
C29 C119 H119 119.6 . . ?
C79 C15 H15 120.5 . . ?
C79 C15 C121 119.0(16) . . ?
C121 C15 H15 120.5 . . ?
C136 C121 H121 120.4 . . ?
C15 C121 C136 119.2(17) . . ?
C15 C121 H121 120.4 . . ?
C109 C61 C113 119(2) . . ?
C109 C61 H61 120.6 . . ?
C113 C61 H61 120.6 . . ?
C81 C123 H123 120.7 . . ?
C117 C123 C81 118.7(17) . . ?
C117 C123 H123 120.7 . . ?
C125 C31 H31 120.0 . . ?
C125 C31 C129 120.0 . . ?
C129 C31 H31 120.0 . . ?
C31 C125 H125 120.0 . . ?
C63 C125 C31 120.0 . . ?
C63 C125 H125 120.0 . . ?
C125 C63 H63 120.0 . . ?
C125 C63 C127 120.0 . . ?
C127 C63 H63 120.0 . . ?
C63 C127 C6 119.7(8) . . ?
C2 C127 C6 120.2(8) . . ?
C2 C127 C63 120.0 . . ?
C127 C2 H2 120.0 . . ?
C129 C2 C127 120.0 . . ?
C129 C2 H2 120.0 . . ?
C31 C129 H129 120.0 . . ?
C2 C129 C31 120.0 . . ?
C2 C129 H129 120.0 . . ?
C59 C65 H65 120.3 . . ?
C59 C65 C131 119.5(16) . . ?
C131 C65 H65 120.3 . . ?
C47 C131 H131 120.1 . . ?
C65 C131 C47 119.9(17) . . ?
C65 C131 H131 120.1 . . ?
Cl1 C33 H33A 109.2 . . ?
Cl1 C33 H33B 109.2 . . ?
Cl8 C33 Cl1 112.2(14) . . ?
Cl8 C33 H33A 109.2 . . ?
Cl8 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
Cl2 C133 H13A 109.9 . . ?
Cl2 C133 H13B 109.9 . . ?
Cl4 C133 Cl2 108.8(11) . . ?
Cl4 C133 H13A 109.9 . . ?
Cl4 C133 H13B 109.9 . . ?
H13A C133 H13B 108.3 . . ?
Cl3 C67 H67A 108.4 . . ?
Cl3 C67 H67B 108.4 . . ?
Cl3 C67 H67C 110.2 . . ?
Cl3 C67 H67D 110.2 . . ?
Cl5 C67 Cl3 115.5(14) . . ?
Cl5 C67 H67A 108.4 . . ?
Cl5 C67 H67B 108.4 . . ?
H67A C67 H67B 107.5 . . ?
H67C C67 H67D 108.5 . . ?
Cl5A C67 Cl3 107.7(17) . . ?
Cl5A C67 H67C 110.2 . . ?
Cl5A C67 H67D 110.2 . . ?
Cl6 C135 H13C 110.5 . . ?
Cl6 C135 H13D 110.5 . . ?
Cl7 C135 Cl6 106.3(10) . . ?
Cl7 C135 H13C 110.5 . . ?
Cl7 C135 H13D 110.5 . . ?
H13C C135 H13D 108.7 . . ?

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 N3 C36 C34 -179.1(8) . . . . ?
Dy1 N3 C36 C44 -54.9(11) . . . . ?
Dy1 N3 C54 C128 -7.7(16) . . . . ?
Dy1 N2 C44 C36 -14.5(13) . . . . ?
Dy1 N2 C44 C50 -136.5(8) . . . . ?
Dy1 N2 C76 C22 14.1(16) . . . . ?
Dy1 N6 C1 C4 -174.9(8) . . . . ?
Dy1 N6 C1 C6 -52.8(12) . . . . ?
Dy1 N6 C26 C70 -3.9(16) . . . . ?
Dy1 N5 C6 C1 -15.9(14) . . . . ?
Dy1 N5 C6 C127 -139.4(8) . . . . ?
Dy1 N5 C12 C10 5.6(17) . . . . ?
Dy1 N4 C10 C12 -17.1(16) . . . . ?
Dy1 N4 C10 C24 166.4(10) . . . . ?
Dy1 N4 C128 C54 13.3(15) . . . . ?
Dy1 N4 C128 C114 -167.2(10) . . . . ?
Dy1 N1 C22 C76 -12.0(15) . . . . ?
Dy1 N1 C22 C102 170.2(10) . . . . ?
Dy1 N1 C70 C26 5.9(15) . . . . ?
Dy1 N1 C70 C69 -173.6(11) . . . . ?
Dy2 N11 C60 C52 -16.7(17) . . . . ?
Dy2 N11 C60 C88 165.1(11) . . . . ?
Dy2 N11 C64 C20 15.1(15) . . . . ?
Dy2 N11 C64 C100 -164.8(10) . . . . ?
Dy2 N10 C28 C16 -11.4(14) . . . . ?
Dy2 N10 C28 C43 -134.7(8) . . . . ?
Dy2 N10 C52 C60 1.5(19) . . . . ?
Dy2 N7 C38 C56 -14.1(13) . . . . ?
Dy2 N7 C38 C58 -137.4(9) . . . . ?
Dy2 N7 C48 C8 4.1(16) . . . . ?
Dy2 N12 C20 C64 -8.7(16) . . . . ?
Dy2 N12 C56 C38 -52.5(11) . . . . ?
Dy2 N12 C56 C66 -176.3(8) . . . . ?
Dy2 N8 C8 C42 171.0(9) . . . . ?
Dy2 N8 C8 C48 -7.7(14) . . . . ?
Dy2 N8 C18 C32 9.0(15) . . . . ?
Dy2 N8 C18 C82 -168.6(9) . . . . ?
Dy2 N9 C16 C14 -178.8(8) . . . . ?
Dy2 N9 C16 C28 -52.1(11) . . . . ?
Dy2 N9 C32 C18 -12.2(16) . . . . ?
N3 C36 C44 N2 41.5(13) . . . . ?
N3 C36 C44 C50 164.4(10) . . . . ?
N3 C54 C128 N4 -3.6(18) . . . . ?
N3 C54 C128 C114 176.8(12) . . . . ?
N2 C44 C50 C40 51.4(16) . . . . ?
N2 C44 C50 C130 -130.6(13) . . . . ?
N6 C1 C4 C124 72.0(17) . . . . ?
N6 C1 C4 C81 -107.0(16) . . . . ?
N6 C1 C6 N5 40.8(13) . . . . ?
N6 C1 C6 C127 166.3(9) . . . . ?
N6 C26 C70 N1 -1.3(18) . . . . ?
N6 C26 C70 C69 178.2(13) . . . . ?
N11 C60 C88 C110 -2(2) . . . . ?
N11 C64 C100 C110 0(2) . . . . ?
N10 C28 C43 C85 -124.6(9) . . . . ?
N10 C28 C43 C87 56.4(12) . . . . ?
N10 C52 C60 N11 10(2) . . . . ?
N10 C52 C60 C88 -172.0(14) . . . . ?
N5 C6 C127 C63 57.4(12) . . . . ?
N5 C6 C127 C2 -125.3(9) . . . . ?
N7 C38 C56 N12 39.8(13) . . . . ?
N7 C38 C56 C66 168.4(10) . . . . ?
N7 C38 C58 C62 60.9(16) . . . . ?
N7 C38 C58 C68 -117.4(12) . . . . ?
N12 C20 C64 N11 -4.4(19) . . . . ?
N12 C20 C64 C100 175.5(12) . . . . ?
N12 C56 C66 C90 72.0(16) . . . . ?
N12 C56 C66 C3 -105.9(15) . . . . ?
C1 N6 C26 C70 -177.0(11) . . . . ?
C1 C4 C124 C118 -179.7(13) . . . . ?
C1 C4 C81 C123 179.0(17) . . . . ?
C1 C6 C127 C63 -65.4(11) . . . . ?
C1 C6 C127 C2 111.9(10) . . . . ?
N4 C10 C12 N5 8(2) . . . . ?
N4 C10 C24 C96 -1(2) . . . . ?
N8 C8 C42 C84 -2.0(18) . . . . ?
N8 C8 C48 N7 2.3(18) . . . . ?
N8 C18 C32 N9 2.3(18) . . . . ?
N8 C18 C82 C84 -3(2) . . . . ?
N9 C16 C28 N10 37.3(13) . . . . ?
N9 C16 C28 C43 161.7(9) . . . . ?
C4 C1 C6 N5 167.0(10) . . . . ?
C4 C1 C6 C127 -67.4(13) . . . . ?
C4 C81 C123 C117 1(3) . . . . ?
C6 N5 C12 C10 179.1(12) . . . . ?
C6 C1 C4 C124 -49.6(17) . . . . ?
C6 C1 C4 C81 131.4(15) . . . . ?
C6 C127 C2 C129 -177.3(10) . . . . ?
C8 N8 C18 C32 -179.0(11) . . . . ?
C8 N8 C18 C82 3.4(18) . . . . ?
C8 C42 C84 C82 2.7(18) . . . . ?
C10 N4 C128 C54 177.8(11) . . . . ?
C10 N4 C128 C114 -2.7(19) . . . . ?
C10 C24 C96 C114 1(2) . . . . ?
C12 N5 C6 C1 170.9(12) . . . . ?
C12 N5 C6 C127 47.4(15) . . . . ?
C12 C10 C24 C96 -177.4(13) . . . . ?
C14 C16 C28 N10 168.9(10) . . . . ?
C14 C16 C28 C43 -66.7(13) . . . . ?
C14 C46 C105 C107 1(2) . . . . ?
C14 C92 C73 C107 -1(3) . . . . ?
C16 N9 C32 C18 176.9(11) . . . . ?
C16 C14 C46 C105 -178.7(13) . . . . ?
C16 C14 C92 C73 178.4(14) . . . . ?
C16 C28 C43 C85 113.1(10) . . . . ?
C16 C28 C43 C87 -66.0(11) . . . . ?
N1 C22 C76 N2 -1.5(18) . . . . ?
N1 C22 C102 C37 3(2) . . . . ?
N1 C70 C69 C37 4(2) . . . . ?
C18 N8 C8 C42 -1.0(18) . . . . ?
C18 N8 C8 C48 -179.7(11) . . . . ?
C18 C82 C84 C42 -0.5(19) . . . . ?
C20 N12 C56 C38 118.5(12) . . . . ?
C20 N12 C56 C66 -5.3(16) . . . . ?
C20 C64 C100 C110 -179.9(13) . . . . ?
C22 N1 C70 C26 176.6(11) . . . . ?
C22 N1 C70 C69 -3(2) . . . . ?
C22 C102 C37 C69 -2(2) . . . . ?
C24 C10 C12 N5 -175.8(13) . . . . ?
C24 C96 C114 C128 -2(2) . . . . ?
C26 N6 C1 C4 -1.6(17) . . . . ?
C26 N6 C1 C6 120.5(12) . . . . ?
C26 C70 C69 C37 -175.5(14) . . . . ?
C28 N10 C52 C60 179.0(12) . . . . ?
C28 C43 C87 C41 179.1(9) . . . . ?
C30 C40 C50 C44 -180.0(13) . . . . ?
C30 C40 C50 C130 2(2) . . . . ?
C30 C132 C39 C130 1(3) . . . . ?
C32 N9 C16 C14 -8.0(17) . . . . ?
C32 N9 C16 C28 118.8(12) . . . . ?
C32 C18 C82 C84 179.8(12) . . . . ?
C34 C36 C44 N2 168.8(10) . . . . ?
C34 C36 C44 C50 -68.3(13) . . . . ?
C34 C78 C77 C23 5(3) . . . . ?
C34 C80 C17 C23 -1(3) . . . . ?
C36 N3 C54 C128 -176.9(11) . . . . ?
C36 C34 C78 C77 178.2(16) . . . . ?
C36 C34 C80 C17 179.9(15) . . . . ?
C36 C44 C50 C40 -69.8(15) . . . . ?
C36 C44 C50 C130 108.1(13) . . . . ?
C38 N7 C48 C8 179.9(11) . . . . ?
C38 C56 C66 C90 -52.3(17) . . . . ?
C38 C56 C66 C3 129.8(14) . . . . ?
C38 C58 C62 C5 178.8(13) . . . . ?
C38 C58 C68 C134 -178.8(12) . . . . ?
C40 C30 C132 C39 0(2) . . . . ?
C40 C50 C130 C39 -1(2) . . . . ?
C42 C8 C48 N7 -176.4(12) . . . . ?
C44 N2 C76 C22 -173.8(11) . . . . ?
C44 C50 C130 C39 -179.4(13) . . . . ?
C46 C14 C16 N9 68.1(16) . . . . ?
C46 C14 C16 C28 -57.9(16) . . . . ?
C46 C14 C92 C73 0(2) . . . . ?
C46 C105 C107 C73 -3(3) . . . . ?
C48 N7 C38 C56 170.2(10) . . . . ?
C48 N7 C38 C58 47.0(15) . . . . ?
C48 C8 C42 C84 176.6(11) . . . . ?
C50 C130 C39 C132 0(2) . . . . ?
C52 N10 C28 C16 171.2(12) . . . . ?
C52 N10 C28 C43 47.9(15) . . . . ?
C52 C60 C88 C110 -179.6(14) . . . . ?
C54 N3 C36 C34 -9.4(17) . . . . ?
C54 N3 C36 C44 114.8(12) . . . . ?
C56 N12 C20 C64 -179.4(11) . . . . ?
C56 C38 C58 C62 -60.6(15) . . . . ?
C56 C38 C58 C68 121.2(12) . . . . ?
C56 C66 C90 C101 -179.1(13) . . . . ?
C56 C66 C3 C19 -178.7(16) . . . . ?
C58 C38 C56 N12 165.5(10) . . . . ?
C58 C38 C56 C66 -66.0(13) . . . . ?
C58 C62 C5 C86 1(2) . . . . ?
C58 C68 C134 C86 -1(2) . . . . ?
C60 N11 C64 C20 178.4(12) . . . . ?
C60 N11 C64 C100 -1.5(19) . . . . ?
C60 C88 C110 C100 0(2) . . . . ?
C62 C58 C68 C134 3(2) . . . . ?
C64 N11 C60 C52 -179.6(12) . . . . ?
C64 N11 C60 C88 2(2) . . . . ?
C64 C100 C110 C88 1(2) . . . . ?
C66 C90 C101 C99 -1(3) . . . . ?
C68 C58 C62 C5 -3(2) . . . . ?
C70 N1 C22 C76 177.1(11) . . . . ?
C70 N1 C22 C102 -0.7(19) . . . . ?
C70 C69 C37 C102 -1(2) . . . . ?
C72 C106 C11 C104 1(2) . . . . ?
C72 C71 C91 C104 0(2) . . . . ?
C74 C108 B1 C72 138.6(13) . . . . ?
C74 C108 B1 C95 -101.8(15) . . . . ?
C74 C108 B1 C27 20.8(18) . . . . ?
C74 C103 C53 C35 1(2) . . . . ?
C76 N2 C44 C36 173.7(11) . . . . ?
C76 N2 C44 C50 51.7(14) . . . . ?
C76 C22 C102 C37 -174.7(13) . . . . ?
C78 C34 C36 N3 -107.6(15) . . . . ?
C78 C34 C36 C44 130.4(14) . . . . ?
C78 C34 C80 C17 0(3) . . . . ?
C78 C77 C23 C17 -5(3) . . . . ?
C80 C34 C36 N3 72.8(18) . . . . ?
C80 C34 C36 C44 -49.2(18) . . . . ?
C80 C34 C78 C77 -2(3) . . . . ?
C80 C17 C23 C77 3(3) . . . . ?
C82 C18 C32 N9 179.9(12) . . . . ?
C90 C66 C3 C19 3(2) . . . . ?
C92 C14 C16 N9 -110.7(14) . . . . ?
C92 C14 C16 C28 123.3(13) . . . . ?
C92 C14 C46 C105 0(2) . . . . ?
C92 C73 C107 C105 2(3) . . . . ?
C94 C108 B1 C72 -46.9(17) . . . . ?
C94 C108 B1 C95 72.7(16) . . . . ?
C94 C108 B1 C27 -164.7(12) . . . . ?
C94 C35 C53 C103 0(2) . . . . ?
C96 C114 C128 N4 3(2) . . . . ?
C96 C114 C128 C54 -177.8(13) . . . . ?
C98 C126 C79 C15 3(3) . . . . ?
C98 C136 C121 C15 -4(2) . . . . ?
C102 C22 C76 N2 176.4(13) . . . . ?
C106 C72 C71 C91 -1(2) . . . . ?
C106 C72 B1 C108 163.7(12) . . . . ?
C106 C72 B1 C95 43.9(16) . . . . ?
C106 C72 B1 C27 -77.8(15) . . . . ?
C108 C74 C103 C53 -1(2) . . . . ?
C108 C94 C35 C53 -1(2) . . . . ?
C116 C55 B2 C98 30(2) . . . . ?
C116 C55 B2 C122 146.8(14) . . . . ?
C116 C55 B2 C45 -92.1(16) . . . . ?
C116 C55 C111 C57 -3(2) . . . . ?
C118 C117 C123 C81 -1(4) . . . . ?
C120 C9 C13 C115 -2(3) . . . . ?
C120 C27 B1 C72 -33.9(18) . . . . ?
C120 C27 B1 C108 86.2(16) . . . . ?
C120 C27 B1 C95 -153.3(12) . . . . ?
C120 C27 C7 C115 3(2) . . . . ?
C122 C89 C59 C65 -1(3) . . . . ?
C122 C47 C131 C65 -2(2) . . . . ?
C124 C4 C81 C123 0(3) . . . . ?
C124 C118 C117 C123 0(3) . . . . ?
C126 C98 C136 C121 5(2) . . . . ?
C126 C98 B2 C122 107.4(15) . . . . ?
C126 C98 B2 C45 -16(2) . . . . ?
C126 C98 B2 C55 -132.4(14) . . . . ?
C126 C79 C15 C121 -2(3) . . . . ?
C128 N4 C10 C12 178.3(12) . . . . ?
C128 N4 C10 C24 2(2) . . . . ?
C132 C30 C40 C50 -1(2) . . . . ?
C134 C86 C5 C62 0(3) . . . . ?
C136 C98 C126 C79 -4(2) . . . . ?
C136 C98 B2 C122 -66.7(17) . . . . ?
C136 C98 B2 C45 170.1(13) . . . . ?
C136 C98 B2 C55 53.6(18) . . . . ?
C35 C94 C108 C74 1(2) . . . . ?
C35 C94 C108 B1 -174.0(13) . . . . ?
C71 C72 C106 C11 0(2) . . . . ?
C71 C72 B1 C108 -23.5(19) . . . . ?
C71 C72 B1 C95 -143.3(12) . . . . ?
C71 C72 B1 C27 95.0(15) . . . . ?
C9 C120 C27 B1 179.4(14) . . . . ?
C9 C120 C27 C7 -2(2) . . . . ?
C9 C13 C115 C7 3(2) . . . . ?
C75 C93 C95 B1 -178.0(14) . . . . ?
C75 C93 C95 C29 1(2) . . . . ?
C75 C25 C119 C29 5(3) . . . . ?
C19 C99 C101 C90 1(3) . . . . ?
C79 C15 C121 C136 2(2) . . . . ?
C5 C86 C134 C68 0(2) . . . . ?
C81 C4 C124 C118 -1(2) . . . . ?
C41 C83 C21 C85 0.0 . . . . ?
C83 C41 C87 C43 0.0 . . . . ?
C83 C21 C85 C43 0.0 . . . . ?
C21 C85 C43 C28 -179.1(9) . . . . ?
C21 C85 C43 C87 0.0 . . . . ?
C85 C43 C87 C41 0.0 . . . . ?
C87 C41 C83 C21 0.0 . . . . ?
C11 C104 C91 C71 2(2) . . . . ?
C89 C122 C47 C131 2(2) . . . . ?
C89 C122 B2 C98 91.8(15) . . . . ?
C89 C122 B2 C45 -145.0(13) . . . . ?
C89 C122 B2 C55 -29.6(19) . . . . ?
C89 C59 C65 C131 2(3) . . . . ?
C45 C109 C61 C113 1(3) . . . . ?
C91 C104 C11 C106 -2(2) . . . . ?
C93 C75 C25 C119 -3(3) . . . . ?
C93 C95 B1 C72 -90.1(16) . . . . ?
C93 C95 B1 C108 148.8(13) . . . . ?
C93 C95 B1 C27 28.6(19) . . . . ?
C93 C95 C29 C119 1(3) . . . . ?
C47 C122 C89 C59 -1(2) . . . . ?
C47 C122 B2 C98 -80.3(16) . . . . ?
C47 C122 B2 C45 42.9(17) . . . . ?
C47 C122 B2 C55 158.3(12) . . . . ?
C95 C29 C119 C25 -4(3) . . . . ?
C3 C66 C90 C101 -1(2) . . . . ?
C3 C19 C99 C101 1(4) . . . . ?
C97 C113 C61 C109 -2(3) . . . . ?
C49 C112 C57 C111 -2(3) . . . . ?
C49 C116 C55 B2 174.8(14) . . . . ?
C49 C116 C55 C111 4(2) . . . . ?
C99 C19 C3 C66 -4(3) . . . . ?
C25 C75 C93 C95 0(2) . . . . ?
C51 C45 C109 C61 1(2) . . . . ?
C51 C45 B2 C98 -50.2(18) . . . . ?
C51 C45 B2 C122 -169.0(12) . . . . ?
C51 C45 B2 C55 71.4(16) . . . . ?
C51 C97 C113 C61 0(3) . . . . ?
C103 C74 C108 C94 0(2) . . . . ?
C103 C74 C108 B1 174.7(14) . . . . ?
C27 C120 C9 C13 1(2) . . . . ?
C27 C7 C115 C13 -3(2) . . . . ?
C109 C45 C51 C97 -3(2) . . . . ?
C109 C45 B2 C98 134.5(14) . . . . ?
C109 C45 B2 C122 15.7(19) . . . . ?
C109 C45 B2 C55 -103.9(16) . . . . ?
B1 C72 C106 C11 173.7(13) . . . . ?
B1 C72 C71 C91 -174.3(13) . . . . ?
B1 C95 C29 C119 180.0(18) . . . . ?
B1 C27 C7 C115 -178.5(14) . . . . ?
C55 C116 C49 C112 -4(3) . . . . ?
C55 C111 C57 C112 2(3) . . . . ?
B2 C98 C126 C79 -178.8(14) . . . . ?
B2 C98 C136 C121 179.6(14) . . . . ?
B2 C122 C89 C59 -173.6(14) . . . . ?
B2 C122 C47 C131 175.1(13) . . . . ?
B2 C45 C51 C97 -179.0(13) . . . . ?
B2 C45 C109 C61 176.7(15) . . . . ?
B2 C55 C111 C57 -174.2(14) . . . . ?
C111 C55 B2 C98 -159.8(13) . . . . ?
C111 C55 B2 C122 -42.9(18) . . . . ?
C111 C55 B2 C45 78.2(16) . . . . ?
C7 C27 B1 C72 147.5(14) . . . . ?
C7 C27 B1 C108 -92.4(17) . . . . ?
C7 C27 B1 C95 28(2) . . . . ?
C113 C97 C51 C45 2(2) . . . . ?
C57 C112 C49 C116 3(3) . . . . ?
C29 C95 B1 C72 91.1(18) . . . . ?
C29 C95 B1 C108 -30(2) . . . . ?
C29 C95 B1 C27 -150.2(16) . . . . ?
C117 C118 C124 C4 1(3) . . . . ?
C59 C65 C131 C47 -1(2) . . . . ?
C31 C125 C63 C127 0.0 . . . . ?
C125 C31 C129 C2 0.0 . . . . ?
C125 C63 C127 C6 177.3(10) . . . . ?
C125 C63 C127 C2 0.0 . . . . ?
C63 C127 C2 C129 0.0 . . . . ?
C127 C2 C129 C31 0.0 . . . . ?
C129 C31 C125 C63 0.0 . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 132 electrons were 
found in a volume of 676Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
2[H2O] per Asymmetric Unit 
which account for 80 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.265 0.074 0.464 156.3 32.0 '2 H2O'
2 -0.265 0.574 0.036 156.3 32.5 '2 H2O'
3 0.235 0.926 0.964 156.3 32.2 '2 H2O'
4 0.148 0.203 0.082 12.8 0.9 ?
5 0.352 0.797 0.582 12.8 0.0 ?
6 0.765 0.426 0.536 156.3 32.4 '2 H2O'
7 0.648 0.297 0.918 12.8 0.9 ?
8 0.852 0.703 0.418 12.8 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2178368'
loop_
_audit_author_name
_audit_author_address
'Xiaodong Liu'
;CIAC
China
;
_audit_update_record             
;
2022-10-01 deposited with the CCDC.	2022-10-14 downloaded from the CCDC.
;
_audit_creation_date             2022-09-30
_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         'C84 H68 Dy2 F4 N12, 3(C H2 Cl2), 2(C24 H20 B)'
_chemical_formula_sum            'C135 H114 B2 Cl6 Dy2 F4 N12'
_chemical_formula_weight         2539.70
_chemical_absolute_configuration ad
_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'
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'

_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.2406(6)
_cell_length_b                   25.9357(10)
_cell_length_c                   27.5500(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12318.9(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.907
_cell_measurement_theta_min      2.475
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.394
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0868 before and 0.0807 after correction.
The Ratio of minimum to maximum transmission is 0.8626.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5152
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0935
_diffrn_reflns_av_unetI/netI     0.0869
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            80204
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.032
_diffrn_reflns_theta_max         25.032
_diffrn_reflns_theta_min         1.965
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.849
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                16908
_reflns_number_total             21727
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.229
_refine_diff_density_min         -1.530
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 
;
 Flack x determined using 6278 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.001(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1460
_refine_ls_number_reflns         21727
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.058
_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)+(0.0492P)²+4.6705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1244
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 Cl10-C7
 1.77 with sigma of 0.02
 Cl6-C7
 1.78 with sigma of 0.02
 Cl6-C7 = Cl10-C7
 1.771 with sigma of 0.01
 Cl6-Cl10
 2.916 with sigma of 0.03
 Cl6-Cl10
 2.92 with sigma of 0.04
 Cl10-C7 \\sim Cl-C7
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl6 \\sim Cl10 \\sim C7: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
4. Rigid body (RIGU) restrains
 Cl6, Cl10, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H45)=Sof(H47)=Sof(Cl)=1-FVAR(1)
 Sof(Cl10)=Sof(H43)=Sof(H44)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C6(H6), C11(H11), C15(H15), C18(H18), C21(H21), C23(H23), C40(H40)
6.b Secondary CH2 refined with riding coordinates:
 C121(H26,H27), C137(H36,H37), C7(H43,H44), C7(H45,H47)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C134(H134), C135(H135), C10(H10), C14(H14), C19(H19), C24(H24),
 C25(H25), C28(H28), C29(H29), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35),
  C36(H), C37(HA), C38(H38), C39(H39), C41(H41), C42(H42), C45(HB), C46(H46),
 C49(H49), C50(H50), C51(H51), C52(H52), C53(H53), C54(HC), C55(HD), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60), C61(H61), C62(HE), C63(HF), C64(H64),
 C65(H65), C66(H66), C67(HG), C68(HH), C69(H69), C70(H70), C71(H71), C72(HI),
 C74(H74), C76(HJ), C77(HK), C78(H78), C79(HL), C80(H80), C82(H82), C83(H83),
 C84(HM), C85(HN), C86(HO), C87(HP), C88(H88), C89(HQ), C90(HR), C92(HS),
 C93(HT), C94(HU), C96(H96), C97(H97), C98(H98), C99(HV), C100(HW), C101(H101),
 C102(HX), C103(HY), C104(HZ), C105(H3), C106(H4), C107(H107), C108(H5),
 C109(H109), C110(H7), C111(H8), C112(H112), C113(H9), C114(H114), C115(H12),
 C116(H13), C117(H16), C118(H17), C119(H20), C120(H22), C122(H30), C123(H123),
 C125(H125), C126(H126), C127(H127), C128(H128), C129(H129), C130(H130),
 C131(H131), C132(H132)
;
_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
F3 F 0.3052(3) 0.7384(2) 0.2507(3) 0.0354(17) Uani 1 1 d . . . . .
Dy1 Dy 0.37225(3) 0.66354(2) 0.25878(2) 0.02780(12) Uani 1 1 d . . . . .
F2 F 0.4473(3) 0.7328(2) 0.2406(2) 0.0340(16) Uani 1 1 d . . . . .
Dy2 Dy 0.37867(3) 0.80739(2) 0.23140(2) 0.02725(12) Uani 1 1 d . . . . .
F1 F 0.3663(4) 0.5839(2) 0.2725(2) 0.0478(16) Uani 1 1 d . . . . .
F4 F 0.3875(3) 0.8934(3) 0.2183(2) 0.0422(16) Uani 1 1 d . . . . .
Cl1 Cl 0.2024(3) 0.3505(3) 0.3083(3) 0.138(3) Uani 1 1 d . . . . .
Cl9 Cl 0.1927(3) 0.3700(3) 0.4103(3) 0.142(3) Uani 1 1 d . . . . .
N5 N 0.5117(5) 0.6349(4) 0.2218(3) 0.034(2) Uani 1 1 d . . . . .
N8 N 0.2348(5) 0.8245(3) 0.2016(3) 0.031(2) Uani 1 1 d . . . . .
C1 C 0.4971(6) 0.8050(5) 0.3383(4) 0.032(3) Uani 1 1 d . . . . .
H1 H 0.501118 0.766736 0.334465 0.038 Uiso 1 1 calc R U . . .
N3 N 0.3570(5) 0.6831(3) 0.3526(3) 0.030(2) Uani 1 1 d . . . . .
N7 N 0.3377(5) 0.7860(4) 0.1402(3) 0.034(2) Uani 1 1 d . . . . .
N10 N 0.4194(5) 0.8208(3) 0.3222(3) 0.032(2) Uani 1 1 d . . . . .
N12 N 0.4789(5) 0.8210(4) 0.1602(4) 0.037(2) Uani 1 1 d . . . . .
N2 N 0.2319(5) 0.6585(3) 0.3007(3) 0.029(2) Uani 1 1 d . . . . .
N4 N 0.4887(5) 0.6432(4) 0.3191(3) 0.033(2) Uani 1 1 d . . . . .
N11 N 0.5268(4) 0.8274(3) 0.2538(3) 0.035(2) Uani 1 1 d . . . . .
N9 N 0.2800(5) 0.8523(3) 0.2906(3) 0.032(2) Uani 1 1 d . . . . .
N6 N 0.3901(5) 0.6468(3) 0.1645(3) 0.030(2) Uani 1 1 d . . . . .
N1 N 0.2539(5) 0.6286(4) 0.2077(3) 0.031(2) Uani 1 1 d . . . . .
C2 C 0.3384(6) 0.6230(4) 0.1404(4) 0.035(3) Uani 1 1 d . . . . .
H2 H 0.348646 0.612798 0.107875 0.042 Uiso 1 1 calc R U . . .
C3 C 0.1842(6) 0.6205(4) 0.2278(4) 0.031(2) Uani 1 1 d . . . . .
C4 C 0.5193(6) 0.8186(5) 0.3910(4) 0.038(3) Uani 1 1 d . . . . .
C5 C 0.2637(6) 0.6112(4) 0.1624(4) 0.029(2) Uani 1 1 d . . . . .
C6 C 0.5571(6) 0.8303(5) 0.3037(4) 0.034(3) Uani 1 1 d . . . . .
H6 H 0.562577 0.867406 0.312787 0.041 Uiso 1 1 calc R U . . .
C134 C 0.5656(6) 0.6204(5) 0.2504(4) 0.040(3) Uani 1 1 d . . . . .
H134 H 0.614195 0.609947 0.237480 0.047 Uiso 1 1 calc R U . . .
C8 C 0.2128(6) 0.8707(4) 0.2745(4) 0.035(3) Uani 1 1 d . . . . .
C135 C 0.5740(6) 0.8402(5) 0.2210(4) 0.042(3) Uani 1 1 d . . . . .
H135 H 0.625497 0.849807 0.229195 0.050 Uiso 1 1 calc R U . . .
C10 C 0.1063(7) 0.7474(5) 0.1934(5) 0.048(3) Uani 1 1 d . . . . .
H10 H 0.147314 0.735589 0.213637 0.057 Uiso 1 1 calc R U . . .
C11 C 0.4644(6) 0.6592(5) 0.1404(4) 0.031(2) Uani 1 1 d . . . . .
H11 H 0.472071 0.697166 0.144399 0.037 Uiso 1 1 calc R U . . .
C12 C 0.6067(6) 0.6575(5) 0.1575(4) 0.042(3) Uani 1 1 d . . . . .
C13 C 0.5487(6) 0.8402(5) 0.1696(4) 0.037(3) Uani 1 1 d . . . . .
C14 C 0.5992(7) 0.8586(5) 0.1330(5) 0.049(3) Uani 1 1 d . . . . .
H14 H 0.648667 0.872381 0.141009 0.059 Uiso 1 1 calc R U . . .
C15 C 0.2569(6) 0.7671(5) 0.1319(4) 0.033(3) Uani 1 1 d . . . . .
H15 H 0.250710 0.734535 0.150835 0.040 Uiso 1 1 calc R U . . .
C16 C 0.4735(6) 0.6482(5) 0.0869(4) 0.034(3) Uani 1 1 d . . . . .
C17 C 0.1417(6) 0.7042(4) 0.3563(4) 0.036(3) Uani 1 1 d . . . . .
C18 C 0.2027(6) 0.8073(4) 0.1546(4) 0.031(2) Uani 1 1 d . . . . .
H18 H 0.200060 0.837787 0.132435 0.037 Uiso 1 1 calc R U . . .
C19 C 0.3750(7) 0.8452(4) 0.3520(3) 0.037(3) Uani 1 1 d . . . . .
H19 H 0.391855 0.851115 0.384373 0.045 Uiso 1 1 calc R U . . .
C20 C 0.3000(6) 0.8636(4) 0.3368(4) 0.033(3) Uani 1 1 d . . . . .
C21 C 0.5300(6) 0.6330(5) 0.1695(4) 0.037(3) Uani 1 1 d . . . . .
H21 H 0.532391 0.595999 0.159546 0.045 Uiso 1 1 calc R U . . .
C22 C 0.1209(7) 0.7848(4) 0.1597(4) 0.036(2) Uani 1 1 d . . . . .
C23 C 0.2146(6) 0.6749(5) 0.3512(4) 0.037(3) Uani 1 1 d . . . . .
H23 H 0.210504 0.643200 0.371776 0.044 Uiso 1 1 calc R U . . .
C24 C 0.4065(6) 0.6655(5) 0.3841(4) 0.038(3) Uani 1 1 d . . . . .
H24 H 0.395389 0.667489 0.417814 0.046 Uiso 1 1 calc R U . . .
C25 C 0.0344(8) 0.7269(5) 0.1986(6) 0.058(4) Uani 1 1 d . . . . .
H25 H 0.025780 0.700833 0.222279 0.070 Uiso 1 1 calc R U . . .
C26 C -0.0088(6) 0.4622(5) 0.2705(5) 0.039(3) Uani 1 1 d . . . . .
C27 C 0.5534(7) 0.6199(5) 0.3026(4) 0.041(3) Uani 1 1 d . . . . .
C28 C 0.1908(6) 0.8546(4) 0.2254(4) 0.036(3) Uani 1 1 d . . . . .
H28 H 0.143823 0.866605 0.211363 0.043 Uiso 1 1 calc R U . . .
C29 C 0.1222(8) 0.5954(4) 0.2042(4) 0.042(3) Uani 1 1 d . . . . .
H29 H 0.073122 0.591349 0.219469 0.051 Uiso 1 1 calc R U . . .
C30 C 0.2345(7) 0.7552(5) 0.0795(4) 0.039(3) Uani 1 1 d . . . . .
C31 C 0.1306(8) 0.7516(5) 0.3330(4) 0.046(3) Uani 1 1 d . . . . .
H31 H 0.170514 0.764788 0.312622 0.055 Uiso 1 1 calc R U . . .
C32 C 0.1761(6) 0.6381(5) 0.2773(4) 0.038(3) Uani 1 1 d . . . . .
H32 H 0.127307 0.634326 0.292938 0.046 Uiso 1 1 calc R U . . .
C33 C 0.0806(7) 0.6844(5) 0.3854(4) 0.045(3) Uani 1 1 d . . . . .
H33 H 0.085109 0.651782 0.400766 0.054 Uiso 1 1 calc R U . . .
C34 C 0.0039(8) 0.7598(6) 0.3675(6) 0.057(4) Uani 1 1 d . . . . .
H34 H -0.043525 0.778141 0.370831 0.069 Uiso 1 1 calc R U . . .
C35 C 0.1840(7) 0.9112(5) 0.3503(5) 0.052(4) Uani 1 1 d . . . . .
H35 H 0.150927 0.931109 0.370488 0.062 Uiso 1 1 calc R U . . .
C36 C -0.1183(7) 0.5583(4) 0.2486(4) 0.045(3) Uani 1 1 d . . . . .
H H -0.131020 0.526227 0.233973 0.054 Uiso 1 1 calc R U . . .
C37 C -0.0471(7) 0.6067(5) 0.3041(5) 0.044(3) Uani 1 1 d . . . . .
HA H -0.009865 0.609141 0.329489 0.052 Uiso 1 1 calc R U . . .
C38 C 0.4776(7) 0.6895(6) 0.0547(4) 0.050(3) Uani 1 1 d . . . . .
H38 H 0.475627 0.723987 0.066301 0.061 Uiso 1 1 calc R U . . .
C39 C 0.1358(7) 0.5767(4) 0.1575(4) 0.038(3) Uani 1 1 d . . . . .
H39 H 0.096471 0.558337 0.140733 0.046 Uiso 1 1 calc R U . . .
C40 C 0.2842(6) 0.7072(4) 0.3700(4) 0.033(3) Uani 1 1 d . . . . .
H40 H 0.280581 0.742091 0.354683 0.040 Uiso 1 1 calc R U . . .
C41 C 0.0137(7) 0.7142(6) 0.3907(5) 0.058(4) Uani 1 1 d . . . . .
H41 H -0.026448 0.702038 0.411362 0.070 Uiso 1 1 calc R U . . .
C42 C 0.2639(7) 0.6736(5) 0.4568(4) 0.048(3) Uani 1 1 d . . . . .
H42 H 0.258286 0.639528 0.444712 0.058 Uiso 1 1 calc R U . . .
C43 C 0.4568(7) 0.8187(4) 0.1141(4) 0.037(3) Uani 1 1 d . . . . .
C44 C -0.0660(6) 0.5579(5) 0.2875(4) 0.037(3) Uani 1 1 d . . . . .
C45 C 0.0120(7) 0.4749(5) 0.2232(6) 0.053(4) Uani 1 1 d . . . . .
HB H 0.006276 0.509598 0.212749 0.064 Uiso 1 1 calc R U . . .
C46 C 0.4769(8) 0.5975(5) 0.0699(5) 0.051(3) Uani 1 1 d . . . . .
H46 H 0.475927 0.569021 0.091591 0.061 Uiso 1 1 calc R U . . .
C47 C 0.4782(6) 0.6431(5) 0.3676(4) 0.038(3) Uani 1 1 d . . . . .
C48 C 0.4830(7) 0.4655(5) 0.5476(5) 0.045(3) Uani 1 1 d . . . . .
C49 C 0.6094(7) 0.5974(5) 0.3329(5) 0.056(4) Uani 1 1 d . . . . .
H49 H 0.655134 0.582299 0.319969 0.067 Uiso 1 1 calc R U . . .
C50 C 0.6212(9) 0.7074(5) 0.1707(5) 0.058(3) Uani 1 1 d . . . . .
H50 H 0.582326 0.726413 0.187409 0.069 Uiso 1 1 calc R U . . .
C51 C 0.2203(8) 0.7937(5) 0.0457(5) 0.053(4) Uani 1 1 d . . . . .
H51 H 0.222833 0.828830 0.055180 0.064 Uiso 1 1 calc R U . . .
C52 C 0.2056(7) 0.5850(5) 0.1362(4) 0.041(3) Uani 1 1 d . . . . .
H52 H 0.215192 0.573268 0.104105 0.050 Uiso 1 1 calc R U . . .
C53 C 0.5953(8) 0.5981(5) 0.3830(5) 0.056(4) Uani 1 1 d . . . . .
H53 H 0.631338 0.582820 0.404742 0.067 Uiso 1 1 calc R U . . .
C54 C 0.0021(6) 0.4103(5) 0.2825(5) 0.050(3) Uani 1 1 d . . . . .
HC H -0.010505 0.399570 0.314522 0.060 Uiso 1 1 calc R U . . .
C55 C 0.1181(8) 0.5190(5) 0.3228(5) 0.054(3) Uani 1 1 d . . . . .
HD H 0.121503 0.511758 0.289053 0.065 Uiso 1 1 calc R U . . .
C56 C 0.5356(7) 0.8683(5) 0.4045(5) 0.048(3) Uani 1 1 d . . . . .
H56 H 0.535291 0.894949 0.380871 0.058 Uiso 1 1 calc R U . . .
C57 C -0.0274(8) 0.7437(6) 0.1694(6) 0.059(4) Uani 1 1 d . . . . .
H57 H -0.077925 0.729623 0.173008 0.071 Uiso 1 1 calc R U . . .
C58 C 0.5291(7) 0.6210(5) 0.4003(4) 0.047(3) Uani 1 1 d . . . . .
H58 H 0.518393 0.621674 0.434148 0.056 Uiso 1 1 calc R U . . .
C59 C 0.6463(8) 0.7536(5) 0.2982(5) 0.055(4) Uani 1 1 d . . . . .
H59 H 0.604694 0.733670 0.285594 0.066 Uiso 1 1 calc R U . . .
C60 C 0.6647(7) 0.6297(6) 0.1329(4) 0.054(4) Uani 1 1 d . . . . .
H60 H 0.655299 0.594896 0.124007 0.065 Uiso 1 1 calc R U . . .
C61 C 0.2527(7) 0.8924(5) 0.3682(5) 0.052(4) Uani 1 1 d . . . . .
H61 H 0.267817 0.898660 0.400823 0.062 Uiso 1 1 calc R U . . .
C62 C 0.5208(8) 0.4681(6) 0.4370(5) 0.052(4) Uani 1 1 d . . . . .
HE H 0.556904 0.454450 0.459654 0.062 Uiso 1 1 calc R U . . .
C63 C 0.5319(7) 0.4768(6) 0.5872(5) 0.059(4) Uani 1 1 d . . . . .
HF H 0.544277 0.511770 0.593879 0.071 Uiso 1 1 calc R U . . .
C64 C 0.2298(9) 0.7046(6) 0.0645(5) 0.063(4) Uani 1 1 d . . . . .
H64 H 0.238889 0.677570 0.087030 0.075 Uiso 1 1 calc R U . . .
C65 C 0.5526(8) 0.8800(6) 0.4527(5) 0.061(4) Uani 1 1 d . . . . .
H65 H 0.563331 0.914654 0.461647 0.073 Uiso 1 1 calc R U . . .
C66 C 0.0632(8) 0.7798(5) 0.3388(6) 0.055(4) Uani 1 1 d . . . . .
H66 H 0.057350 0.812310 0.323384 0.067 Uiso 1 1 calc R U . . .
C67 C 0.4862(9) 0.4832(6) 0.3532(5) 0.061(4) Uani 1 1 d . . . . .
HG H 0.496577 0.479717 0.319501 0.073 Uiso 1 1 calc R U . . .
C68 C 0.0490(8) 0.3894(6) 0.2034(7) 0.067(5) Uani 1 1 d . . . . .
HH H 0.067394 0.364878 0.180511 0.080 Uiso 1 1 calc R U . . .
C69 C 0.2028(10) 0.7813(6) -0.0011(5) 0.067(4) Uani 1 1 d . . . . .
H69 H 0.194326 0.808104 -0.024004 0.081 Uiso 1 1 calc R U . . .
C70 C 0.5746(7) 0.8559(5) 0.0855(5) 0.052(4) Uani 1 1 d . . . . .
H70 H 0.607178 0.867791 0.060055 0.062 Uiso 1 1 calc R U . . .
C71 C 0.5035(7) 0.8362(5) 0.0755(5) 0.049(3) Uani 1 1 d . . . . .
H71 H 0.485577 0.834252 0.042915 0.059 Uiso 1 1 calc R U . . .
C72 C 0.1860(9) 0.5299(6) 0.3481(7) 0.071(5) Uani 1 1 d . . . . .
HI H 0.234471 0.529943 0.331638 0.086 Uiso 1 1 calc R U . . .
C73 C 0.2777(7) 0.7145(5) 0.4247(4) 0.041(3) Uani 1 1 d . . . . .
C74 C 0.5228(9) 0.7800(7) 0.4249(5) 0.070(5) Uani 1 1 d . . . . .
H74 H 0.513409 0.745196 0.416072 0.084 Uiso 1 1 calc R U . . .
C75 C 0.3532(8) 0.5090(5) 0.5275(5) 0.051(3) Uani 1 1 d . . . . .
C76 C 0.6061(9) 0.6163(6) 0.5229(5) 0.065(4) Uani 1 1 d . . . . .
HJ H 0.661199 0.617145 0.523089 0.078 Uiso 1 1 calc R U . . .
C77 C -0.1499(9) 0.4307(6) 0.4165(5) 0.062(4) Uani 1 1 d . . . . .
HK H -0.137911 0.412243 0.445342 0.075 Uiso 1 1 calc R U . . .
C78 C 0.6964(7) 0.8319(6) 0.3303(5) 0.061(4) Uani 1 1 d . . . . .
H78 H 0.690174 0.867183 0.338553 0.074 Uiso 1 1 calc R U . . .
C79 C 0.5337(9) 0.4596(6) 0.3872(6) 0.064(4) Uani 1 1 d . . . . .
HL H 0.574788 0.437825 0.376909 0.077 Uiso 1 1 calc R U . . .
C80 C 0.6916(8) 0.7309(7) 0.1602(6) 0.074(5) Uani 1 1 d . . . . .
H80 H 0.701598 0.765359 0.169989 0.088 Uiso 1 1 calc R U . . .
C81 C 0.4581(8) 0.4954(5) 0.4541(5) 0.051(3) Uani 1 1 d . . . . .
C82 C 0.2625(10) 0.7304(8) 0.5240(6) 0.079(5) Uani 1 1 d . . . . .
H82 H 0.255307 0.735810 0.557792 0.095 Uiso 1 1 calc R U . . .
C83 C 0.4848(9) 0.6793(7) 0.0046(5) 0.072(5) Uani 1 1 d . . . . .
H83 H 0.488411 0.706979 -0.017876 0.086 Uiso 1 1 calc R U . . .
C84 C 0.5633(9) 0.4377(7) 0.6175(6) 0.075(5) Uani 1 1 d . . . . .
HM H 0.597888 0.446624 0.642928 0.090 Uiso 1 1 calc R U . . .
C85 C -0.0919(7) 0.4506(5) 0.3882(5) 0.049(3) Uani 1 1 d . . . . .
HN H -0.039824 0.444794 0.398107 0.058 Uiso 1 1 calc R U . . .
C86 C 0.5683(9) 0.5684(6) 0.5182(5) 0.063(4) Uani 1 1 d . . . . .
HO H 0.598224 0.538020 0.513744 0.076 Uiso 1 1 calc R U . . .
C87 C -0.1526(7) 0.6020(5) 0.2303(5) 0.054(4) Uani 1 1 d . . . . .
HP H -0.189729 0.599645 0.204985 0.065 Uiso 1 1 calc R U . . .
C88 C 0.2770(13) 0.7720(7) 0.4943(6) 0.100(7) Uani 1 1 d . . . . .
H88 H 0.282122 0.805517 0.507821 0.120 Uiso 1 1 calc R U . . .
C89 C 0.4655(8) 0.4120(5) 0.5419(5) 0.056(4) Uani 1 1 d . . . . .
HQ H 0.430907 0.402646 0.516505 0.068 Uiso 1 1 calc R U . . .
C90 C 0.0452(8) 0.5308(5) 0.3939(6) 0.057(4) Uani 1 1 d . . . . .
HR H -0.002850 0.532420 0.410688 0.068 Uiso 1 1 calc R U . . .
C91 C -0.1042(6) 0.4794(5) 0.3452(5) 0.043(3) Uani 1 1 d . . . . .
C92 C 0.0409(8) 0.4388(6) 0.1907(6) 0.066(5) Uani 1 1 d . . . . .
HS H 0.055094 0.449338 0.158879 0.080 Uiso 1 1 calc R U . . .
C93 C -0.1321(8) 0.6495(5) 0.2494(4) 0.054(3) Uani 1 1 d . . . . .
HT H -0.154899 0.680134 0.237007 0.065 Uiso 1 1 calc R U . . .
C94 C 0.3231(8) 0.5350(6) 0.5689(5) 0.061(4) Uani 1 1 d . . . . .
HU H 0.358151 0.554795 0.587933 0.073 Uiso 1 1 calc R U . . .
C95 C 0.4881(7) 0.5648(5) 0.5201(5) 0.047(3) Uani 1 1 d . . . . .
C96 C 0.7344(8) 0.6519(8) 0.1217(6) 0.077(6) Uani 1 1 d . . . . .
H96 H 0.773162 0.632619 0.105176 0.093 Uiso 1 1 calc R U . . .
C97 C 0.7478(9) 0.7023(10) 0.1346(6) 0.094(7) Uani 1 1 d . . . . .
H97 H 0.795647 0.718099 0.126223 0.112 Uiso 1 1 calc R U . . .
B1 B 0.4444(8) 0.5095(6) 0.5133(6) 0.046(4) Uani 1 1 d . . . . .
C98 C 0.2843(9) 0.7645(6) 0.4432(5) 0.062(4) Uani 1 1 d . . . . .
H98 H 0.293485 0.792925 0.422241 0.074 Uiso 1 1 calc R U . . .
C99 C 0.4236(10) 0.5117(7) 0.3692(5) 0.071(5) Uani 1 1 d . . . . .
HV H 0.389188 0.526672 0.346256 0.085 Uiso 1 1 calc R U . . .
C100 C 0.0301(7) 0.3737(5) 0.2507(6) 0.055(4) Uani 1 1 d . . . . .
HW H 0.036546 0.338845 0.260585 0.066 Uiso 1 1 calc R U . . .
C101 C 0.1971(10) 0.7314(7) -0.0157(6) 0.077(5) Uani 1 1 d . . . . .
H101 H 0.182985 0.723244 -0.048147 0.092 Uiso 1 1 calc R U . . .
C102 C 0.2958(8) 0.4791(6) 0.5024(5) 0.057(4) Uani 1 1 d . . . . .
HX H 0.310713 0.460866 0.473953 0.068 Uiso 1 1 calc R U . . .
C103 C 0.1830(9) 0.5405(6) 0.3960(7) 0.067(5) Uani 1 1 d . . . . .
HY H 0.229467 0.547534 0.413332 0.080 Uiso 1 1 calc R U . . .
C104 C -0.0783(8) 0.6523(6) 0.2866(5) 0.055(4) Uani 1 1 d . . . . .
HZ H -0.063202 0.684635 0.299823 0.066 Uiso 1 1 calc R U . . .
C105 C 0.5667(12) 0.6607(7) 0.5270(6) 0.086(6) Uani 1 1 d . . . . .
H3 H 0.593626 0.692522 0.529355 0.103 Uiso 1 1 calc R U . . .
C106 C 0.1133(10) 0.5410(5) 0.4198(6) 0.067(4) Uani 1 1 d . . . . .
H4 H 0.111166 0.548329 0.453550 0.080 Uiso 1 1 calc R U . . .
C107 C 0.2584(8) 0.6831(7) 0.5062(5) 0.068(5) Uani 1 1 d . . . . .
H107 H 0.251570 0.654976 0.527830 0.081 Uiso 1 1 calc R U . . .
C108 C 0.4103(9) 0.5188(6) 0.4190(5) 0.063(4) Uani 1 1 d . . . . .
H5 H 0.368214 0.539802 0.429265 0.076 Uiso 1 1 calc R U . . .
C109 C 0.4865(8) 0.6293(6) -0.0117(5) 0.054(4) Uani 1 1 d . . . . .
H109 H 0.491085 0.622627 -0.045450 0.065 Uiso 1 1 calc R U . . .
C110 C -0.1838(7) 0.4863(6) 0.3340(6) 0.069(5) Uani 1 1 d . . . . .
H7 H -0.197204 0.507182 0.306946 0.083 Uiso 1 1 calc R U . . .
C111 C 0.4491(9) 0.6131(6) 0.5234(5) 0.059(4) Uani 1 1 d . . . . .
H8 H 0.393976 0.612857 0.522497 0.070 Uiso 1 1 calc R U . . .
C112 C 0.5541(10) 0.8427(7) 0.4866(6) 0.080(5) Uani 1 1 d . . . . .
H112 H 0.564298 0.851227 0.519513 0.096 Uiso 1 1 calc R U . . .
C113 C 0.2198(9) 0.4756(6) 0.5178(6) 0.067(4) Uani 1 1 d . . . . .
H9 H 0.184651 0.454146 0.500542 0.081 Uiso 1 1 calc R U . . .
C114 C 0.5411(13) 0.7935(7) 0.4741(6) 0.099(7) Uani 1 1 d . . . . .
H114 H 0.544048 0.767283 0.498122 0.119 Uiso 1 1 calc R U . . .
C115 C -0.2277(8) 0.4381(6) 0.4023(7) 0.067(4) Uani 1 1 d . . . . .
H12 H -0.268893 0.424869 0.421594 0.080 Uiso 1 1 calc R U . . .
C116 C 0.2458(9) 0.5333(6) 0.5835(7) 0.074(5) Uani 1 1 d . . . . .
H13 H 0.229333 0.552830 0.610729 0.088 Uiso 1 1 calc R U . . .
C117 C 0.4960(10) 0.3718(7) 0.5712(6) 0.073(5) Uani 1 1 d . . . . .
H16 H 0.484613 0.336618 0.564785 0.087 Uiso 1 1 calc R U . . .
C118 C 0.5435(8) 0.3866(7) 0.6099(6) 0.067(5) Uani 1 1 d . . . . .
H17 H 0.562649 0.361021 0.631537 0.081 Uiso 1 1 calc R U . . .
C119 C 0.4851(12) 0.6595(7) 0.5278(6) 0.079(5) Uani 1 1 d . . . . .
H20 H 0.455897 0.690394 0.531244 0.094 Uiso 1 1 calc R U . . .
C120 C 0.1931(8) 0.5034(7) 0.5585(7) 0.070(5) Uani 1 1 d . . . . .
H22 H 0.140405 0.501487 0.568437 0.083 Uiso 1 1 calc R U . . .
C121 C 0.1747(15) 0.3970(7) 0.3540(14) 0.202(18) Uani 1 1 d . . . . .
H26 H 0.205231 0.429117 0.350020 0.242 Uiso 1 1 calc R U . . .
H27 H 0.119030 0.405626 0.350792 0.242 Uiso 1 1 calc R U . . .
B2 B -0.0336(8) 0.5049(6) 0.3120(5) 0.041(3) Uani 1 1 d . . . . .
C122 C -0.2430(9) 0.4641(7) 0.3610(8) 0.085(6) Uani 1 1 d . . . . .
H30 H -0.295061 0.467167 0.350149 0.102 Uiso 1 1 calc R U . . .
C123 C 0.3787(7) 0.7988(4) 0.1054(4) 0.038(2) Uani 1 1 d . . . . .
H123 H 0.359523 0.795759 0.073232 0.046 Uiso 1 1 calc R U . . .
C124 C 0.6345(6) 0.8044(5) 0.3102(4) 0.044(3) Uani 1 1 d . . . . .
C125 C 0.1629(7) 0.9010(5) 0.3028(5) 0.045(3) Uani 1 1 d . . . . .
H125 H 0.115948 0.914215 0.289643 0.054 Uiso 1 1 calc R U . . .
C126 C 0.0611(6) 0.8012(5) 0.1302(5) 0.044(3) Uani 1 1 d . . . . .
H126 H 0.070994 0.826670 0.106164 0.053 Uiso 1 1 calc R U . . .
C127 C 0.4819(8) 0.5901(5) 0.0192(5) 0.053(4) Uani 1 1 d . . . . .
H127 H 0.481895 0.555913 0.006743 0.064 Uiso 1 1 calc R U . . .
C128 C -0.0122(8) 0.7815(6) 0.1350(6) 0.059(4) Uani 1 1 d . . . . .
H128 H -0.052846 0.793722 0.114692 0.071 Uiso 1 1 calc R U . . .
C129 C 0.7191(8) 0.7310(6) 0.3045(6) 0.067(4) Uani 1 1 d . . . . .
H129 H 0.727605 0.696537 0.294170 0.080 Uiso 1 1 calc R U . . .
C130 C 0.2122(11) 0.6930(7) 0.0170(6) 0.084(6) Uani 1 1 d . . . . .
H130 H 0.210402 0.658002 0.006904 0.100 Uiso 1 1 calc R U . . .
C131 C 0.7669(8) 0.8076(8) 0.3382(7) 0.073(5) Uani 1 1 d . . . . .
H131 H 0.808212 0.826177 0.352836 0.087 Uiso 1 1 calc R U . . .
C132 C 0.7778(8) 0.7581(8) 0.3254(6) 0.074(5) Uani 1 1 d . . . . .
H132 H 0.826554 0.742051 0.330866 0.089 Uiso 1 1 calc R U . . .
C133 C 0.0443(7) 0.5184(5) 0.3451(5) 0.049(3) Uani 1 1 d . . . . .
Cl3 Cl 0.3106(3) 1.0100(2) 0.2758(3) 0.140(3) Uani 1 1 d . . . . .
Cl5 Cl 0.4190(4) 0.9796(3) 0.3495(4) 0.164(3) Uani 1 1 d . . . . .
C137 C 0.4082(13) 0.9780(10) 0.2822(8) 0.142(10) Uani 1 1 d . . . . .
H36 H 0.407721 0.942217 0.269624 0.171 Uiso 1 1 calc R U . . .
H37 H 0.449620 0.997856 0.265806 0.171 Uiso 1 1 calc R U . . .
Cl6 Cl 0.3970(4) 0.4853(3) 0.1868(4) 0.182(4) Uani 1 1 d D U . . .
Cl10 Cl 0.2810(15) 0.4430(5) 0.2456(7) 0.221(9) Uani 0.61(2) 1 d D U P A 1
C7 C 0.3217(14) 0.5005(8) 0.2269(11) 0.231(17) Uani 1 1 d D U . . .
H43 H 0.342121 0.519829 0.255145 0.277 Uiso 0.61(2) 1 calc R U P A 1
H44 H 0.282341 0.522125 0.210421 0.277 Uiso 0.61(2) 1 calc R U P A 1
H45 H 0.340887 0.495384 0.260415 0.277 Uiso 0.39(2) 1 calc R U P A 2
H47 H 0.309641 0.537647 0.223195 0.277 Uiso 0.39(2) 1 calc R U P A 2
Cl Cl 0.2366(8) 0.4664(7) 0.2205(7) 0.097(8) Uani 0.39(2) 1 d D . 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
F3 Dy1 2.271(6) . ?
F3 Dy2 2.256(5) . ?
Dy1 F2 2.270(5) . ?
Dy1 Dy2 3.8079(7) . ?
Dy1 F1 2.102(6) . ?
Dy1 N5 2.715(9) . ?
Dy1 N3 2.648(9) . ?
Dy1 N2 2.684(8) . ?
Dy1 N4 2.658(9) . ?
Dy1 N6 2.652(8) . ?
Dy1 N1 2.640(8) . ?
F2 Dy2 2.282(5) . ?
Dy2 F4 2.266(7) . ?
Dy2 N8 2.650(9) . ?
Dy2 N7 2.669(10) . ?
Dy2 N10 2.621(9) . ?
Dy2 N12 2.637(9) . ?
Dy2 N11 2.677(8) . ?
Dy2 N9 2.629(9) . ?
Cl1 C121 1.81(3) . ?
Cl9 C121 1.73(3) . ?
N5 C134 1.274(13) . ?
N5 C21 1.475(14) . ?
N8 C18 1.477(13) . ?
N8 C28 1.269(14) . ?
C1 H1 1.0000 . ?
C1 N10 1.470(12) . ?
C1 C4 1.545(15) . ?
C1 C6 1.551(15) . ?
N3 C24 1.298(13) . ?
N3 C40 1.481(14) . ?
N7 C15 1.493(14) . ?
N7 C123 1.235(14) . ?
N10 C19 1.290(13) . ?
N12 C13 1.327(14) . ?
N12 C43 1.329(15) . ?
N2 C23 1.485(14) . ?
N2 C32 1.274(13) . ?
N4 C27 1.346(14) . ?
N4 C47 1.349(14) . ?
N11 C6 1.473(14) . ?
N11 C135 1.261(14) . ?
N9 C8 1.328(13) . ?
N9 C20 1.351(14) . ?
N6 C2 1.271(13) . ?
N6 C11 1.478(13) . ?
N1 C3 1.340(13) . ?
N1 C5 1.338(13) . ?
C2 H2 0.9500 . ?
C2 C5 1.457(15) . ?
C3 C29 1.412(15) . ?
C3 C32 1.444(16) . ?
C4 C56 1.370(17) . ?
C4 C74 1.371(18) . ?
C5 C52 1.408(15) . ?
C6 H6 1.0000 . ?
C6 C124 1.503(16) . ?
C134 H134 0.9500 . ?
C134 C27 1.455(16) . ?
C8 C28 1.467(16) . ?
C8 C125 1.401(15) . ?
C135 H135 0.9500 . ?
C135 C13 1.482(16) . ?
C10 H10 0.9500 . ?
C10 C22 1.366(16) . ?
C10 C25 1.357(17) . ?
C11 H11 1.0000 . ?
C11 C16 1.509(15) . ?
C11 C21 1.544(15) . ?
C12 C21 1.504(16) . ?
C12 C50 1.369(17) . ?
C12 C60 1.405(16) . ?
C13 C14 1.414(16) . ?
C14 H14 0.9500 . ?
C14 C70 1.377(18) . ?
C15 H15 1.0000 . ?
C15 C18 1.534(15) . ?
C15 C30 1.526(16) . ?
C16 C38 1.392(17) . ?
C16 C46 1.399(17) . ?
C17 C23 1.476(15) . ?
C17 C31 1.402(15) . ?
C17 C33 1.418(15) . ?
C18 H18 1.0000 . ?
C18 C22 1.535(16) . ?
C19 H19 0.9500 . ?
C19 C20 1.440(15) . ?
C20 C61 1.403(15) . ?
C21 H21 1.0000 . ?
C22 C126 1.380(16) . ?
C23 H23 1.0000 . ?
C23 C40 1.553(15) . ?
C24 H24 0.9500 . ?
C24 C47 1.441(16) . ?
C25 H25 0.9500 . ?
C25 C57 1.406(19) . ?
C26 C45 1.391(19) . ?
C26 C54 1.400(17) . ?
C26 B2 1.647(19) . ?
C27 C49 1.404(16) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 C39 1.394(15) . ?
C30 C51 1.386(18) . ?
C30 C64 1.379(18) . ?
C31 H31 0.9500 . ?
C31 C66 1.382(18) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C41 1.396(18) . ?
C34 H34 0.9500 . ?
C34 C41 1.354(19) . ?
C34 C66 1.39(2) . ?
C35 H35 0.9500 . ?
C35 C61 1.373(17) . ?
C35 C125 1.384(18) . ?
C36 H 0.9500 . ?
C36 C44 1.400(15) . ?
C36 C87 1.373(16) . ?
C37 HA 0.9500 . ?
C37 C44 1.385(16) . ?
C37 C104 1.386(18) . ?
C38 H38 0.9500 . ?
C38 C83 1.412(19) . ?
C39 H39 0.9500 . ?
C39 C52 1.355(16) . ?
C40 H40 1.0000 . ?
C40 C73 1.523(15) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C42 C73 1.399(17) . ?
C42 C107 1.388(18) . ?
C43 C71 1.410(15) . ?
C43 C123 1.461(16) . ?
C44 B2 1.631(18) . ?
C45 HB 0.9500 . ?
C45 C92 1.389(18) . ?
C46 H46 0.9500 . ?
C46 C127 1.412(18) . ?
C47 C58 1.382(16) . ?
C48 C63 1.409(17) . ?
C48 C89 1.428(18) . ?
C48 B1 1.624(19) . ?
C49 H49 0.9500 . ?
C49 C53 1.399(18) . ?
C50 H50 0.9500 . ?
C50 C80 1.388(19) . ?
C51 H51 0.9500 . ?
C51 C69 1.362(19) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C53 C58 1.374(17) . ?
C54 HC 0.9500 . ?
C54 C100 1.378(17) . ?
C55 HD 0.9500 . ?
C55 C72 1.392(19) . ?
C55 C133 1.413(18) . ?
C56 H56 0.9500 . ?
C56 C65 1.392(17) . ?
C57 H57 0.9500 . ?
C57 C128 1.39(2) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C59 C124 1.375(17) . ?
C59 C129 1.394(18) . ?
C60 H60 0.9500 . ?
C60 C96 1.37(2) . ?
C61 H61 0.9500 . ?
C62 HE 0.9500 . ?
C62 C79 1.406(19) . ?
C62 C81 1.376(19) . ?
C63 HF 0.9500 . ?
C63 C84 1.42(2) . ?
C64 H64 0.9500 . ?
C64 C130 1.375(19) . ?
C65 H65 0.9500 . ?
C65 C112 1.35(2) . ?
C66 H66 0.9500 . ?
C67 HG 0.9500 . ?
C67 C79 1.38(2) . ?
C67 C99 1.38(2) . ?
C68 HH 0.9500 . ?
C68 C92 1.34(2) . ?
C68 C100 1.40(2) . ?
C69 H69 0.9500 . ?
C69 C101 1.36(2) . ?
C70 H70 0.9500 . ?
C70 C71 1.357(18) . ?
C71 H71 0.9500 . ?
C72 HI 0.9500 . ?
C72 C103 1.35(2) . ?
C73 C98 1.400(18) . ?
C74 H74 0.9500 . ?
C74 C114 1.43(2) . ?
C75 C94 1.423(19) . ?
C75 B1 1.62(2) . ?
C75 C102 1.437(18) . ?
C76 HJ 0.9500 . ?
C76 C86 1.408(19) . ?
C76 C105 1.34(2) . ?
C77 HK 0.9500 . ?
C77 C85 1.370(17) . ?
C77 C115 1.41(2) . ?
C78 H78 0.9500 . ?
C78 C124 1.397(16) . ?
C78 C131 1.387(19) . ?
C79 HL 0.9500 . ?
C80 H80 0.9500 . ?
C80 C97 1.41(3) . ?
C81 B1 1.69(2) . ?
C81 C108 1.409(18) . ?
C82 H82 0.9500 . ?
C82 C88 1.37(2) . ?
C82 C107 1.32(2) . ?
C83 H83 0.9500 . ?
C83 C109 1.37(2) . ?
C84 HM 0.9500 . ?
C84 C118 1.38(2) . ?
C85 HN 0.9500 . ?
C85 C91 1.417(17) . ?
C86 HO 0.9500 . ?
C86 C95 1.386(18) . ?
C87 HP 0.9500 . ?
C87 C93 1.387(18) . ?
C88 H88 0.9500 . ?
C88 C98 1.427(19) . ?
C89 HQ 0.9500 . ?
C89 C117 1.419(19) . ?
C90 HR 0.9500 . ?
C90 C106 1.399(19) . ?
C90 C133 1.38(2) . ?
C91 C110 1.417(17) . ?
C91 B2 1.660(18) . ?
C92 HS 0.9500 . ?
C93 HT 0.9500 . ?
C93 C104 1.384(18) . ?
C94 HU 0.9500 . ?
C94 C116 1.39(2) . ?
C95 B1 1.63(2) . ?
C95 C111 1.425(19) . ?
C96 H96 0.9500 . ?
C96 C97 1.38(3) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
C99 HV 0.9500 . ?
C99 C108 1.40(2) . ?
C100 HW 0.9500 . ?
C101 H101 0.9500 . ?
C101 C130 1.37(2) . ?
C102 HX 0.9500 . ?
C102 C113 1.38(2) . ?
C103 HY 0.9500 . ?
C103 C106 1.37(2) . ?
C104 HZ 0.9500 . ?
C105 H3 0.9500 . ?
C105 C119 1.41(2) . ?
C106 H4 0.9500 . ?
C107 H107 0.9500 . ?
C108 H5 0.9500 . ?
C109 H109 0.9500 . ?
C109 C127 1.328(18) . ?
C110 H7 0.9500 . ?
C110 C122 1.39(2) . ?
C111 H8 0.9500 . ?
C111 C119 1.36(2) . ?
C112 H112 0.9500 . ?
C112 C114 1.34(2) . ?
C113 H9 0.9500 . ?
C113 C120 1.41(2) . ?
C114 H114 0.9500 . ?
C115 H12 0.9500 . ?
C115 C122 1.35(2) . ?
C116 H13 0.9500 . ?
C116 C120 1.38(2) . ?
C117 H16 0.9500 . ?
C117 C118 1.40(2) . ?
C118 H17 0.9500 . ?
C119 H20 0.9500 . ?
C120 H22 0.9500 . ?
C121 H26 0.9900 . ?
C121 H27 0.9900 . ?
B2 C133 1.663(19) . ?
C122 H30 0.9500 . ?
C123 H123 0.9500 . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C126 C128 1.371(17) . ?
C127 H127 0.9500 . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C129 C132 1.36(2) . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C131 C132 1.34(2) . ?
C132 H132 0.9500 . ?
Cl3 C137 1.89(2) . ?
Cl5 C137 1.86(2) . ?
C137 H36 0.9900 . ?
C137 H37 0.9900 . ?
Cl6 C7 1.749(12) . ?
Cl10 C7 1.728(12) . ?
C7 H43 0.9900 . ?
C7 H44 0.9900 . ?
C7 H45 0.9900 . ?
C7 H47 0.9900 . ?
C7 Cl 1.72(2) . ?

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
Dy2 F3 Dy1 114.5(2) . . ?
F3 Dy1 Dy2 32.62(14) . . ?
F3 Dy1 N5 130.4(3) . . ?
F3 Dy1 N3 83.2(3) . . ?
F3 Dy1 N2 68.0(2) . . ?
F3 Dy1 N4 128.0(3) . . ?
F3 Dy1 N6 95.9(3) . . ?
F3 Dy1 N1 81.2(3) . . ?
F2 Dy1 F3 65.93(18) . . ?
F2 Dy1 Dy2 33.32(14) . . ?
F2 Dy1 N5 68.2(2) . . ?
F2 Dy1 N3 96.9(2) . . ?
F2 Dy1 N2 130.4(2) . . ?
F2 Dy1 N4 82.2(3) . . ?
F2 Dy1 N6 81.2(3) . . ?
F2 Dy1 N1 126.5(3) . . ?
F1 Dy1 F3 146.4(2) . . ?
F1 Dy1 F2 147.7(2) . . ?
F1 Dy1 Dy2 178.45(17) . . ?
F1 Dy1 N5 80.9(3) . . ?
F1 Dy1 N3 90.4(3) . . ?
F1 Dy1 N2 80.2(3) . . ?
F1 Dy1 N4 74.3(3) . . ?
F1 Dy1 N6 91.2(3) . . ?
F1 Dy1 N1 73.8(3) . . ?
N5 Dy1 Dy2 99.7(2) . . ?
N3 Dy1 Dy2 90.51(18) . . ?
N3 Dy1 N5 120.4(3) . . ?
N3 Dy1 N2 60.0(2) . . ?
N3 Dy1 N4 60.2(3) . . ?
N3 Dy1 N6 178.1(3) . . ?
N2 Dy1 Dy2 99.17(19) . . ?
N2 Dy1 N5 161.1(3) . . ?
N4 Dy1 Dy2 107.2(2) . . ?
N4 Dy1 N5 60.7(3) . . ?
N4 Dy1 N2 113.7(3) . . ?
N6 Dy1 Dy2 87.86(19) . . ?
N6 Dy1 N5 59.0(3) . . ?
N6 Dy1 N2 121.2(3) . . ?
N6 Dy1 N4 119.5(3) . . ?
N1 Dy1 Dy2 104.7(2) . . ?
N1 Dy1 N5 113.0(3) . . ?
N1 Dy1 N3 120.6(3) . . ?
N1 Dy1 N2 61.1(3) . . ?
N1 Dy1 N4 148.1(3) . . ?
N1 Dy1 N6 60.7(3) . . ?
Dy1 F2 Dy2 113.6(2) . . ?
F3 Dy2 Dy1 32.86(14) . . ?
F3 Dy2 F2 65.98(18) . . ?
F3 Dy2 F4 148.9(2) . . ?
F3 Dy2 N8 71.4(2) . . ?
F3 Dy2 N7 84.7(3) . . ?
F3 Dy2 N10 91.8(3) . . ?
F3 Dy2 N12 130.5(3) . . ?
F3 Dy2 N11 129.4(2) . . ?
F3 Dy2 N9 80.9(2) . . ?
F2 Dy2 Dy1 33.12(14) . . ?
F2 Dy2 N8 131.5(2) . . ?
F2 Dy2 N7 93.7(3) . . ?
F2 Dy2 N10 82.4(3) . . ?
F2 Dy2 N12 81.7(3) . . ?
F2 Dy2 N11 69.1(2) . . ?
F2 Dy2 N9 130.0(3) . . ?
F4 Dy2 Dy1 176.89(16) . . ?
F4 Dy2 F2 144.9(2) . . ?
F4 Dy2 N8 81.3(2) . . ?
F4 Dy2 N7 94.1(2) . . ?
F4 Dy2 N10 90.2(3) . . ?
F4 Dy2 N12 72.9(2) . . ?
F4 Dy2 N11 77.4(2) . . ?
F4 Dy2 N9 72.9(2) . . ?
N8 Dy2 Dy1 101.45(19) . . ?
N8 Dy2 N7 59.7(3) . . ?
N8 Dy2 N11 158.7(3) . . ?
N7 Dy2 Dy1 88.6(2) . . ?
N7 Dy2 N11 120.6(3) . . ?
N10 Dy2 Dy1 87.1(2) . . ?
N10 Dy2 N8 121.6(3) . . ?
N10 Dy2 N7 175.6(3) . . ?
N10 Dy2 N12 121.1(3) . . ?
N10 Dy2 N11 59.9(3) . . ?
N10 Dy2 N9 61.5(3) . . ?
N12 Dy2 Dy1 107.3(2) . . ?
N12 Dy2 N8 111.2(3) . . ?
N12 Dy2 N7 60.1(3) . . ?
N12 Dy2 N11 61.3(3) . . ?
N11 Dy2 Dy1 99.88(19) . . ?
N9 Dy2 Dy1 107.0(2) . . ?
N9 Dy2 N8 60.8(3) . . ?
N9 Dy2 N7 120.3(3) . . ?
N9 Dy2 N12 145.7(3) . . ?
N9 Dy2 N11 112.9(3) . . ?
C134 N5 Dy1 119.6(8) . . ?
C134 N5 C21 115.9(9) . . ?
C21 N5 Dy1 124.4(7) . . ?
C18 N8 Dy2 124.8(6) . . ?
C28 N8 Dy2 120.2(7) . . ?
C28 N8 C18 114.4(9) . . ?
N10 C1 H1 108.0 . . ?
N10 C1 C4 116.4(9) . . ?
N10 C1 C6 107.8(9) . . ?
C4 C1 H1 108.0 . . ?
C4 C1 C6 108.4(9) . . ?
C6 C1 H1 108.0 . . ?
C24 N3 Dy1 121.3(7) . . ?
C24 N3 C40 119.3(9) . . ?
C40 N3 Dy1 118.7(6) . . ?
C15 N7 Dy2 117.3(7) . . ?
C123 N7 Dy2 121.4(8) . . ?
C123 N7 C15 120.2(10) . . ?
C1 N10 Dy2 119.6(6) . . ?
C19 N10 Dy2 121.0(7) . . ?
C19 N10 C1 119.1(9) . . ?
C13 N12 Dy2 120.0(8) . . ?
C13 N12 C43 117.5(10) . . ?
C43 N12 Dy2 121.1(7) . . ?
C23 N2 Dy1 124.8(6) . . ?
C32 N2 Dy1 118.9(7) . . ?
C32 N2 C23 116.2(9) . . ?
C27 N4 Dy1 120.3(7) . . ?
C27 N4 C47 116.3(10) . . ?
C47 N4 Dy1 121.2(7) . . ?
C6 N11 Dy2 124.3(6) . . ?
C135 N11 Dy2 120.1(7) . . ?
C135 N11 C6 115.2(9) . . ?
C8 N9 Dy2 121.1(7) . . ?
C8 N9 C20 117.3(9) . . ?
C20 N9 Dy2 121.0(6) . . ?
C2 N6 Dy1 120.6(7) . . ?
C2 N6 C11 118.6(9) . . ?
C11 N6 Dy1 120.3(6) . . ?
C3 N1 Dy1 121.7(7) . . ?
C5 N1 Dy1 121.0(7) . . ?
C5 N1 C3 116.5(9) . . ?
N6 C2 H2 119.8 . . ?
N6 C2 C5 120.3(10) . . ?
C5 C2 H2 119.8 . . ?
N1 C3 C29 124.1(10) . . ?
N1 C3 C32 115.4(9) . . ?
C29 C3 C32 120.5(10) . . ?
C56 C4 C1 121.5(11) . . ?
C56 C4 C74 119.5(13) . . ?
C74 C4 C1 119.0(12) . . ?
N1 C5 C2 115.4(9) . . ?
N1 C5 C52 123.4(10) . . ?
C52 C5 C2 121.2(10) . . ?
C1 C6 H6 108.4 . . ?
N11 C6 C1 108.3(8) . . ?
N11 C6 H6 108.4 . . ?
N11 C6 C124 113.8(9) . . ?
C124 C6 C1 109.3(9) . . ?
C124 C6 H6 108.4 . . ?
N5 C134 H134 119.7 . . ?
N5 C134 C27 120.6(10) . . ?
C27 C134 H134 119.7 . . ?
N9 C8 C28 115.5(10) . . ?
N9 C8 C125 123.5(10) . . ?
C125 C8 C28 120.9(10) . . ?
N11 C135 H135 120.1 . . ?
N11 C135 C13 119.7(10) . . ?
C13 C135 H135 120.1 . . ?
C22 C10 H10 119.4 . . ?
C25 C10 H10 119.4 . . ?
C25 C10 C22 121.2(12) . . ?
N6 C11 H11 106.2 . . ?
N6 C11 C16 119.1(9) . . ?
N6 C11 C21 107.9(9) . . ?
C16 C11 H11 106.2 . . ?
C16 C11 C21 110.4(9) . . ?
C21 C11 H11 106.2 . . ?
C50 C12 C21 120.0(11) . . ?
C50 C12 C60 118.9(13) . . ?
C60 C12 C21 121.0(12) . . ?
N12 C13 C135 116.8(10) . . ?
N12 C13 C14 123.2(11) . . ?
C14 C13 C135 119.9(11) . . ?
C13 C14 H14 121.0 . . ?
C70 C14 C13 118.0(12) . . ?
C70 C14 H14 121.0 . . ?
N7 C15 H15 107.2 . . ?
N7 C15 C18 106.4(9) . . ?
N7 C15 C30 116.6(10) . . ?
C18 C15 H15 107.2 . . ?
C30 C15 H15 107.2 . . ?
C30 C15 C18 111.8(10) . . ?
C38 C16 C11 118.9(11) . . ?
C38 C16 C46 120.5(11) . . ?
C46 C16 C11 120.6(11) . . ?
C31 C17 C23 121.6(11) . . ?
C31 C17 C33 118.4(11) . . ?
C33 C17 C23 120.0(11) . . ?
N8 C18 C15 109.6(9) . . ?
N8 C18 H18 108.3 . . ?
N8 C18 C22 112.3(9) . . ?
C15 C18 H18 108.3 . . ?
C15 C18 C22 109.8(9) . . ?
C22 C18 H18 108.3 . . ?
N10 C19 H19 119.7 . . ?
N10 C19 C20 120.7(9) . . ?
C20 C19 H19 119.7 . . ?
N9 C20 C19 115.6(9) . . ?
N9 C20 C61 123.2(10) . . ?
C61 C20 C19 121.2(11) . . ?
N5 C21 C11 109.6(9) . . ?
N5 C21 C12 113.0(10) . . ?
N5 C21 H21 108.0 . . ?
C11 C21 H21 108.0 . . ?
C12 C21 C11 110.1(10) . . ?
C12 C21 H21 108.0 . . ?
C10 C22 C18 120.1(10) . . ?
C10 C22 C126 118.9(12) . . ?
C126 C22 C18 121.0(10) . . ?
N2 C23 H23 108.0 . . ?
N2 C23 C40 108.1(9) . . ?
C17 C23 N2 114.1(9) . . ?
C17 C23 H23 108.0 . . ?
C17 C23 C40 110.4(9) . . ?
C40 C23 H23 108.0 . . ?
N3 C24 H24 120.2 . . ?
N3 C24 C47 119.7(10) . . ?
C47 C24 H24 120.2 . . ?
C10 C25 H25 119.7 . . ?
C10 C25 C57 120.7(14) . . ?
C57 C25 H25 119.7 . . ?
C45 C26 C54 114.5(12) . . ?
C45 C26 B2 123.9(11) . . ?
C54 C26 B2 121.2(12) . . ?
N4 C27 C134 116.6(10) . . ?
N4 C27 C49 123.8(11) . . ?
C49 C27 C134 119.5(11) . . ?
N8 C28 C8 119.7(10) . . ?
N8 C28 H28 120.1 . . ?
C8 C28 H28 120.1 . . ?
C3 C29 H29 121.4 . . ?
C39 C29 C3 117.2(12) . . ?
C39 C29 H29 121.4 . . ?
C51 C30 C15 122.3(12) . . ?
C64 C30 C15 119.4(12) . . ?
C64 C30 C51 118.3(12) . . ?
C17 C31 H31 119.2 . . ?
C66 C31 C17 121.6(12) . . ?
C66 C31 H31 119.2 . . ?
N2 C32 C3 122.4(10) . . ?
N2 C32 H32 118.8 . . ?
C3 C32 H32 118.8 . . ?
C17 C33 H33 120.9 . . ?
C41 C33 C17 118.2(12) . . ?
C41 C33 H33 120.9 . . ?
C41 C34 H34 120.0 . . ?
C41 C34 C66 120.0(13) . . ?
C66 C34 H34 120.0 . . ?
C61 C35 H35 120.0 . . ?
C61 C35 C125 120.0(11) . . ?
C125 C35 H35 120.0 . . ?
C44 C36 H 117.9 . . ?
C87 C36 H 117.9 . . ?
C87 C36 C44 124.3(12) . . ?
C44 C37 HA 117.5 . . ?
C44 C37 C104 124.9(12) . . ?
C104 C37 HA 117.5 . . ?
C16 C38 H38 120.5 . . ?
C16 C38 C83 118.9(14) . . ?
C83 C38 H38 120.5 . . ?
C29 C39 H39 120.2 . . ?
C52 C39 C29 119.7(11) . . ?
C52 C39 H39 120.2 . . ?
N3 C40 C23 108.6(9) . . ?
N3 C40 H40 107.5 . . ?
N3 C40 C73 115.7(9) . . ?
C23 C40 H40 107.5 . . ?
C73 C40 C23 109.8(9) . . ?
C73 C40 H40 107.5 . . ?
C33 C41 H41 118.8 . . ?
C34 C41 C33 122.5(13) . . ?
C34 C41 H41 118.8 . . ?
C73 C42 H42 120.1 . . ?
C107 C42 H42 120.1 . . ?
C107 C42 C73 119.8(13) . . ?
N12 C43 C71 122.9(11) . . ?
N12 C43 C123 115.9(9) . . ?
C71 C43 C123 121.2(11) . . ?
C36 C44 B2 122.8(11) . . ?
C37 C44 C36 113.5(11) . . ?
C37 C44 B2 123.6(11) . . ?
C26 C45 HB 118.8 . . ?
C92 C45 C26 122.5(13) . . ?
C92 C45 HB 118.8 . . ?
C16 C46 H46 121.2 . . ?
C16 C46 C127 117.5(12) . . ?
C127 C46 H46 121.2 . . ?
N4 C47 C24 115.3(10) . . ?
N4 C47 C58 124.2(11) . . ?
C58 C47 C24 120.4(11) . . ?
C63 C48 C89 114.5(13) . . ?
C63 C48 B1 123.3(12) . . ?
C89 C48 B1 122.1(12) . . ?
C27 C49 H49 121.3 . . ?
C53 C49 C27 117.4(12) . . ?
C53 C49 H49 121.3 . . ?
C12 C50 H50 119.4 . . ?
C12 C50 C80 121.2(15) . . ?
C80 C50 H50 119.4 . . ?
C30 C51 H51 119.8 . . ?
C69 C51 C30 120.4(14) . . ?
C69 C51 H51 119.8 . . ?
C5 C52 H52 120.5 . . ?
C39 C52 C5 119.1(11) . . ?
C39 C52 H52 120.5 . . ?
C49 C53 H53 120.2 . . ?
C58 C53 C49 119.5(11) . . ?
C58 C53 H53 120.2 . . ?
C26 C54 HC 118.0 . . ?
C100 C54 C26 124.0(14) . . ?
C100 C54 HC 118.0 . . ?
C72 C55 HD 118.6 . . ?
C72 C55 C133 122.8(15) . . ?
C133 C55 HD 118.6 . . ?
C4 C56 H56 119.8 . . ?
C4 C56 C65 120.5(13) . . ?
C65 C56 H56 119.8 . . ?
C25 C57 H57 121.0 . . ?
C128 C57 C25 117.9(13) . . ?
C128 C57 H57 121.0 . . ?
C47 C58 H58 120.7 . . ?
C53 C58 C47 118.7(12) . . ?
C53 C58 H58 120.7 . . ?
C124 C59 H59 119.8 . . ?
C124 C59 C129 120.4(14) . . ?
C129 C59 H59 119.8 . . ?
C12 C60 H60 119.4 . . ?
C96 C60 C12 121.3(16) . . ?
C96 C60 H60 119.4 . . ?
C20 C61 H61 121.0 . . ?
C35 C61 C20 117.9(12) . . ?
C35 C61 H61 121.0 . . ?
C79 C62 HE 118.7 . . ?
C81 C62 HE 118.7 . . ?
C81 C62 C79 122.6(14) . . ?
C48 C63 HF 118.9 . . ?
C48 C63 C84 122.2(15) . . ?
C84 C63 HF 118.9 . . ?
C30 C64 H64 119.8 . . ?
C130 C64 C30 120.4(14) . . ?
C130 C64 H64 119.8 . . ?
C56 C65 H65 119.7 . . ?
C112 C65 C56 120.6(15) . . ?
C112 C65 H65 119.7 . . ?
C31 C66 C34 119.2(13) . . ?
C31 C66 H66 120.4 . . ?
C34 C66 H66 120.4 . . ?
C79 C67 HG 120.6 . . ?
C99 C67 HG 120.6 . . ?
C99 C67 C79 118.8(14) . . ?
C92 C68 HH 120.1 . . ?
C92 C68 C100 119.9(15) . . ?
C100 C68 HH 120.1 . . ?
C51 C69 H69 119.3 . . ?
C101 C69 C51 121.3(15) . . ?
C101 C69 H69 119.3 . . ?
C14 C70 H70 120.3 . . ?
C71 C70 C14 119.5(12) . . ?
C71 C70 H70 120.3 . . ?
C43 C71 H71 120.5 . . ?
C70 C71 C43 118.9(12) . . ?
C70 C71 H71 120.5 . . ?
C55 C72 HI 120.0 . . ?
C103 C72 C55 119.9(16) . . ?
C103 C72 HI 120.0 . . ?
C42 C73 C40 123.0(11) . . ?
C42 C73 C98 119.0(11) . . ?
C98 C73 C40 118.0(12) . . ?
C4 C74 H74 120.8 . . ?
C4 C74 C114 118.4(15) . . ?
C114 C74 H74 120.8 . . ?
C94 C75 B1 123.0(12) . . ?
C94 C75 C102 113.0(13) . . ?
C102 C75 B1 123.8(13) . . ?
C86 C76 HJ 119.0 . . ?
C105 C76 HJ 119.0 . . ?
C105 C76 C86 122.0(16) . . ?
C85 C77 HK 120.5 . . ?
C85 C77 C115 119.1(14) . . ?
C115 C77 HK 120.5 . . ?
C124 C78 H78 120.0 . . ?
C131 C78 H78 120.0 . . ?
C131 C78 C124 120.0(15) . . ?
C62 C79 HL 120.1 . . ?
C67 C79 C62 119.8(15) . . ?
C67 C79 HL 120.1 . . ?
C50 C80 H80 120.8 . . ?
C50 C80 C97 118.4(17) . . ?
C97 C80 H80 120.8 . . ?
C62 C81 B1 123.6(12) . . ?
C62 C81 C108 116.5(13) . . ?
C108 C81 B1 119.2(13) . . ?
C88 C82 H82 119.5 . . ?
C107 C82 H82 119.5 . . ?
C107 C82 C88 121.1(15) . . ?
C38 C83 H83 120.1 . . ?
C109 C83 C38 119.9(15) . . ?
C109 C83 H83 120.1 . . ?
C63 C84 HM 119.9 . . ?
C118 C84 C63 120.2(15) . . ?
C118 C84 HM 119.9 . . ?
C77 C85 HN 117.8 . . ?
C77 C85 C91 124.4(12) . . ?
C91 C85 HN 117.8 . . ?
C76 C86 HO 119.4 . . ?
C95 C86 C76 121.2(16) . . ?
C95 C86 HO 119.4 . . ?
C36 C87 HP 120.5 . . ?
C36 C87 C93 119.0(12) . . ?
C93 C87 HP 120.5 . . ?
C82 C88 H88 120.1 . . ?
C82 C88 C98 119.7(16) . . ?
C98 C88 H88 120.1 . . ?
C48 C89 HQ 117.6 . . ?
C117 C89 C48 124.9(14) . . ?
C117 C89 HQ 117.6 . . ?
C106 C90 HR 118.3 . . ?
C133 C90 HR 118.3 . . ?
C133 C90 C106 123.3(15) . . ?
C85 C91 C110 113.2(12) . . ?
C85 C91 B2 124.1(10) . . ?
C110 C91 B2 122.7(12) . . ?
C45 C92 HS 119.5 . . ?
C68 C92 C45 121.0(16) . . ?
C68 C92 HS 119.5 . . ?
C87 C93 HT 120.1 . . ?
C104 C93 C87 119.9(12) . . ?
C104 C93 HT 120.1 . . ?
C75 C94 HU 117.8 . . ?
C116 C94 C75 124.4(15) . . ?
C116 C94 HU 117.8 . . ?
C86 C95 B1 121.0(13) . . ?
C86 C95 C111 114.5(14) . . ?
C111 C95 B1 124.2(12) . . ?
C60 C96 H96 120.4 . . ?
C60 C96 C97 119.2(17) . . ?
C97 C96 H96 120.4 . . ?
C80 C97 H97 119.5 . . ?
C96 C97 C80 121.0(16) . . ?
C96 C97 H97 119.5 . . ?
C48 B1 C81 110.7(12) . . ?
C48 B1 C95 111.2(11) . . ?
C75 B1 C48 104.5(10) . . ?
C75 B1 C81 111.6(11) . . ?
C75 B1 C95 115.2(12) . . ?
C95 B1 C81 103.7(10) . . ?
C73 C98 C88 118.6(15) . . ?
C73 C98 H98 120.7 . . ?
C88 C98 H98 120.7 . . ?
C67 C99 HV 119.7 . . ?
C67 C99 C108 120.7(15) . . ?
C108 C99 HV 119.7 . . ?
C54 C100 C68 118.1(14) . . ?
C54 C100 HW 120.9 . . ?
C68 C100 HW 120.9 . . ?
C69 C101 H101 120.5 . . ?
C69 C101 C130 119.0(15) . . ?
C130 C101 H101 120.5 . . ?
C75 C102 HX 118.6 . . ?
C113 C102 C75 122.8(15) . . ?
C113 C102 HX 118.6 . . ?
C72 C103 HY 119.9 . . ?
C72 C103 C106 120.3(15) . . ?
C106 C103 HY 119.9 . . ?
C37 C104 HZ 120.9 . . ?
C93 C104 C37 118.3(13) . . ?
C93 C104 HZ 120.9 . . ?
C76 C105 H3 120.3 . . ?
C76 C105 C119 119.3(17) . . ?
C119 C105 H3 120.3 . . ?
C90 C106 H4 120.3 . . ?
C103 C106 C90 119.4(15) . . ?
C103 C106 H4 120.3 . . ?
C42 C107 H107 119.2 . . ?
C82 C107 C42 121.6(16) . . ?
C82 C107 H107 119.2 . . ?
C81 C108 H5 119.4 . . ?
C99 C108 C81 121.3(16) . . ?
C99 C108 H5 119.4 . . ?
C83 C109 H109 119.5 . . ?
C127 C109 C83 120.9(13) . . ?
C127 C109 H109 119.5 . . ?
C91 C110 H7 118.6 . . ?
C122 C110 C91 122.9(15) . . ?
C122 C110 H7 118.6 . . ?
C95 C111 H8 117.7 . . ?
C119 C111 C95 124.6(16) . . ?
C119 C111 H8 117.7 . . ?
C65 C112 H112 119.9 . . ?
C114 C112 C65 120.2(16) . . ?
C114 C112 H112 119.9 . . ?
C102 C113 H9 119.3 . . ?
C102 C113 C120 121.4(15) . . ?
C120 C113 H9 119.3 . . ?
C74 C114 H114 119.6 . . ?
C112 C114 C74 120.7(16) . . ?
C112 C114 H114 119.6 . . ?
C77 C115 H12 120.4 . . ?
C122 C115 C77 119.1(14) . . ?
C122 C115 H12 120.4 . . ?
C94 C116 H13 119.8 . . ?
C120 C116 C94 120.4(17) . . ?
C120 C116 H13 119.8 . . ?
C89 C117 H16 121.6 . . ?
C118 C117 C89 116.7(16) . . ?
C118 C117 H16 121.6 . . ?
C84 C118 C117 121.3(15) . . ?
C84 C118 H17 119.3 . . ?
C117 C118 H17 119.3 . . ?
C105 C119 H20 120.9 . . ?
C111 C119 C105 118.2(18) . . ?
C111 C119 H20 120.9 . . ?
C113 C120 H22 121.0 . . ?
C116 C120 C113 118.0(14) . . ?
C116 C120 H22 121.0 . . ?
Cl1 C121 H26 110.1 . . ?
Cl1 C121 H27 110.1 . . ?
Cl9 C121 Cl1 107.9(10) . . ?
Cl9 C121 H26 110.1 . . ?
Cl9 C121 H27 110.1 . . ?
H26 C121 H27 108.4 . . ?
C26 B2 C91 107.8(10) . . ?
C26 B2 C133 108.2(10) . . ?
C44 B2 C26 111.7(11) . . ?
C44 B2 C91 108.3(10) . . ?
C44 B2 C133 109.0(10) . . ?
C91 B2 C133 112.0(11) . . ?
C110 C122 H30 119.4 . . ?
C115 C122 C110 121.1(15) . . ?
C115 C122 H30 119.4 . . ?
N7 C123 C43 119.7(10) . . ?
N7 C123 H123 120.1 . . ?
C43 C123 H123 120.1 . . ?
C59 C124 C6 122.0(11) . . ?
C59 C124 C78 118.1(13) . . ?
C78 C124 C6 119.9(12) . . ?
C8 C125 H125 121.0 . . ?
C35 C125 C8 118.0(11) . . ?
C35 C125 H125 121.0 . . ?
C22 C126 H126 119.5 . . ?
C128 C126 C22 121.1(13) . . ?
C128 C126 H126 119.5 . . ?
C46 C127 H127 118.9 . . ?
C109 C127 C46 122.2(13) . . ?
C109 C127 H127 118.9 . . ?
C57 C128 H128 119.9 . . ?
C126 C128 C57 120.2(13) . . ?
C126 C128 H128 119.9 . . ?
C59 C129 H129 119.8 . . ?
C132 C129 C59 120.4(15) . . ?
C132 C129 H129 119.8 . . ?
C64 C130 H130 119.7 . . ?
C101 C130 C64 120.6(16) . . ?
C101 C130 H130 119.7 . . ?
C78 C131 H131 119.5 . . ?
C132 C131 C78 121.0(15) . . ?
C132 C131 H131 119.5 . . ?
C129 C132 H132 120.0 . . ?
C131 C132 C129 120.0(14) . . ?
C131 C132 H132 120.0 . . ?
C55 C133 B2 119.4(13) . . ?
C90 C133 C55 114.3(12) . . ?
C90 C133 B2 126.3(12) . . ?
Cl3 C137 H36 111.8 . . ?
Cl3 C137 H37 111.8 . . ?
Cl5 C137 Cl3 99.9(13) . . ?
Cl5 C137 H36 111.8 . . ?
Cl5 C137 H37 111.8 . . ?
H36 C137 H37 109.5 . . ?
Cl6 C7 H43 110.3 . . ?
Cl6 C7 H44 110.3 . . ?
Cl6 C7 H45 108.1 . . ?
Cl6 C7 H47 108.1 . . ?
Cl10 C7 Cl6 107.1(12) . . ?
Cl10 C7 H43 110.3 . . ?
Cl10 C7 H44 110.3 . . ?
H43 C7 H44 108.6 . . ?
H45 C7 H47 107.3 . . ?
Cl C7 Cl6 116.8(14) . . ?
Cl C7 H45 108.1 . . ?
Cl C7 H47 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N5 C134 C27 -0.9(16) . . . . ?
Dy1 N5 C21 C11 10.5(13) . . . . ?
Dy1 N5 C21 C12 133.8(8) . . . . ?
Dy1 N3 C24 C47 11.4(14) . . . . ?
Dy1 N3 C40 C23 52.6(10) . . . . ?
Dy1 N3 C40 C73 176.6(7) . . . . ?
Dy1 N2 C23 C17 137.2(8) . . . . ?
Dy1 N2 C23 C40 14.0(12) . . . . ?
Dy1 N2 C32 C3 -4.0(15) . . . . ?
Dy1 N4 C27 C134 17.4(15) . . . . ?
Dy1 N4 C27 C49 -165.0(10) . . . . ?
Dy1 N4 C47 C24 -13.2(14) . . . . ?
Dy1 N4 C47 C58 163.3(10) . . . . ?
Dy1 N6 C2 C5 9.2(14) . . . . ?
Dy1 N6 C11 C16 178.7(8) . . . . ?
Dy1 N6 C11 C21 51.9(11) . . . . ?
Dy1 N1 C3 C29 -170.9(8) . . . . ?
Dy1 N1 C3 C32 7.4(13) . . . . ?
Dy1 N1 C5 C2 -12.7(13) . . . . ?
Dy1 N1 C5 C52 169.9(8) . . . . ?
Dy2 N8 C18 C15 14.3(12) . . . . ?
Dy2 N8 C18 C22 136.6(7) . . . . ?
Dy2 N8 C28 C8 -13.6(14) . . . . ?
Dy2 N7 C15 C18 54.4(10) . . . . ?
Dy2 N7 C15 C30 179.9(8) . . . . ?
Dy2 N7 C123 C43 9.9(14) . . . . ?
Dy2 N10 C19 C20 3.0(14) . . . . ?
Dy2 N12 C13 C135 15.6(14) . . . . ?
Dy2 N12 C13 C14 -166.3(9) . . . . ?
Dy2 N12 C43 C71 166.2(9) . . . . ?
Dy2 N12 C43 C123 -11.3(14) . . . . ?
Dy2 N11 C6 C1 16.0(12) . . . . ?
Dy2 N11 C6 C124 137.8(8) . . . . ?
Dy2 N11 C135 C13 -4.8(16) . . . . ?
Dy2 N9 C8 C28 12.5(13) . . . . ?
Dy2 N9 C8 C125 -171.0(9) . . . . ?
Dy2 N9 C20 C19 -5.5(13) . . . . ?
Dy2 N9 C20 C61 173.0(9) . . . . ?
N5 C134 C27 N4 -10.8(19) . . . . ?
N5 C134 C27 C49 171.4(12) . . . . ?
N8 C18 C22 C10 -51.0(14) . . . . ?
N8 C18 C22 C126 129.7(11) . . . . ?
C1 N10 C19 C20 176.8(10) . . . . ?
C1 C4 C56 C65 177.6(12) . . . . ?
C1 C4 C74 C114 -178.1(15) . . . . ?
C1 C6 C124 C59 65.3(15) . . . . ?
C1 C6 C124 C78 -112.8(13) . . . . ?
N3 C24 C47 N4 1.2(17) . . . . ?
N3 C24 C47 C58 -175.4(11) . . . . ?
N3 C40 C73 C42 -74.0(14) . . . . ?
N3 C40 C73 C98 107.3(13) . . . . ?
N7 C15 C18 N8 -41.4(12) . . . . ?
N7 C15 C18 C22 -165.2(9) . . . . ?
N7 C15 C30 C51 -74.1(15) . . . . ?
N7 C15 C30 C64 104.2(14) . . . . ?
N10 C1 C4 C56 -72.8(15) . . . . ?
N10 C1 C4 C74 107.4(14) . . . . ?
N10 C1 C6 N11 -40.5(12) . . . . ?
N10 C1 C6 C124 -165.0(9) . . . . ?
N10 C19 C20 N9 1.7(16) . . . . ?
N10 C19 C20 C61 -176.9(11) . . . . ?
N12 C13 C14 C70 -0.6(19) . . . . ?
N12 C43 C71 C70 1(2) . . . . ?
N12 C43 C123 N7 0.8(16) . . . . ?
N2 C23 C40 N3 -39.7(12) . . . . ?
N2 C23 C40 C73 -167.2(9) . . . . ?
N4 C27 C49 C53 2(2) . . . . ?
N4 C47 C58 C53 1(2) . . . . ?
N11 C6 C124 C59 -56.0(16) . . . . ?
N11 C6 C124 C78 126.0(12) . . . . ?
N11 C135 C13 N12 -7.1(18) . . . . ?
N11 C135 C13 C14 174.7(12) . . . . ?
N9 C8 C28 N8 0.9(16) . . . . ?
N9 C8 C125 C35 -1.8(19) . . . . ?
N9 C20 C61 C35 -2(2) . . . . ?
N6 C2 C5 N1 2.2(16) . . . . ?
N6 C2 C5 C52 179.7(11) . . . . ?
N6 C11 C16 C38 110.0(12) . . . . ?
N6 C11 C16 C46 -69.4(14) . . . . ?
N6 C11 C21 N5 -36.6(13) . . . . ?
N6 C11 C21 C12 -161.5(9) . . . . ?
N1 C3 C29 C39 2.0(17) . . . . ?
N1 C3 C32 N2 -2.1(17) . . . . ?
N1 C5 C52 C39 0.0(18) . . . . ?
C2 N6 C11 C16 6.4(15) . . . . ?
C2 N6 C11 C21 -120.5(11) . . . . ?
C2 C5 C52 C39 -177.3(11) . . . . ?
C3 N1 C5 C2 176.8(10) . . . . ?
C3 N1 C5 C52 -0.6(17) . . . . ?
C3 C29 C39 C52 -2.6(17) . . . . ?
C4 C1 N10 Dy2 174.6(7) . . . . ?
C4 C1 N10 C19 0.8(15) . . . . ?
C4 C1 C6 N11 -167.4(9) . . . . ?
C4 C1 C6 C124 68.1(12) . . . . ?
C4 C56 C65 C112 1(2) . . . . ?
C4 C74 C114 C112 0(3) . . . . ?
C5 N1 C3 C29 -0.4(17) . . . . ?
C5 N1 C3 C32 177.9(10) . . . . ?
C6 C1 N10 Dy2 52.6(11) . . . . ?
C6 C1 N10 C19 -121.2(11) . . . . ?
C6 C1 C4 C56 48.9(15) . . . . ?
C6 C1 C4 C74 -130.9(13) . . . . ?
C6 N11 C135 C13 -178.2(11) . . . . ?
C134 N5 C21 C11 -171.5(11) . . . . ?
C134 N5 C21 C12 -48.2(14) . . . . ?
C134 C27 C49 C53 179.6(13) . . . . ?
C8 N9 C20 C19 -177.1(10) . . . . ?
C8 N9 C20 C61 1.5(17) . . . . ?
C135 N11 C6 C1 -170.9(11) . . . . ?
C135 N11 C6 C124 -49.1(14) . . . . ?
C135 C13 C14 C70 177.4(12) . . . . ?
C10 C22 C126 C128 1.4(19) . . . . ?
C10 C25 C57 C128 0(2) . . . . ?
C11 N6 C2 C5 -178.5(10) . . . . ?
C11 C16 C38 C83 -178.9(11) . . . . ?
C11 C16 C46 C127 177.2(11) . . . . ?
C12 C50 C80 C97 1(2) . . . . ?
C12 C60 C96 C97 0(2) . . . . ?
C13 N12 C43 C71 -0.8(18) . . . . ?
C13 N12 C43 C123 -178.3(10) . . . . ?
C13 C14 C70 C71 0(2) . . . . ?
C14 C70 C71 C43 0(2) . . . . ?
C15 N7 C123 C43 178.0(10) . . . . ?
C15 C18 C22 C10 71.3(13) . . . . ?
C15 C18 C22 C126 -108.0(12) . . . . ?
C15 C30 C51 C69 178.0(13) . . . . ?
C15 C30 C64 C130 -177.9(14) . . . . ?
C16 C11 C21 N5 -168.4(9) . . . . ?
C16 C11 C21 C12 66.7(12) . . . . ?
C16 C38 C83 C109 1(2) . . . . ?
C16 C46 C127 C109 3(2) . . . . ?
C17 C23 C40 N3 -165.2(9) . . . . ?
C17 C23 C40 C73 67.4(12) . . . . ?
C17 C31 C66 C34 -2(2) . . . . ?
C17 C33 C41 C34 3(2) . . . . ?
C18 N8 C28 C8 174.5(10) . . . . ?
C18 C15 C30 C51 48.6(16) . . . . ?
C18 C15 C30 C64 -133.0(13) . . . . ?
C18 C22 C126 C128 -179.4(12) . . . . ?
C19 C20 C61 C35 176.3(12) . . . . ?
C20 N9 C8 C28 -176.0(10) . . . . ?
C20 N9 C8 C125 0.5(17) . . . . ?
C21 N5 C134 C27 -179.0(11) . . . . ?
C21 C11 C16 C38 -124.3(12) . . . . ?
C21 C11 C16 C46 56.3(14) . . . . ?
C21 C12 C50 C80 179.7(12) . . . . ?
C21 C12 C60 C96 179.7(12) . . . . ?
C22 C10 C25 C57 0(2) . . . . ?
C22 C126 C128 C57 -1(2) . . . . ?
C23 N2 C32 C3 179.8(10) . . . . ?
C23 C17 C31 C66 -178.3(12) . . . . ?
C23 C17 C33 C41 177.7(11) . . . . ?
C23 C40 C73 C42 49.4(15) . . . . ?
C23 C40 C73 C98 -129.3(13) . . . . ?
C24 N3 C40 C23 -117.7(11) . . . . ?
C24 N3 C40 C73 6.3(14) . . . . ?
C24 C47 C58 C53 177.2(12) . . . . ?
C25 C10 C22 C18 180.0(12) . . . . ?
C25 C10 C22 C126 -0.7(19) . . . . ?
C25 C57 C128 C126 0(2) . . . . ?
C26 C45 C92 C68 1(2) . . . . ?
C26 C54 C100 C68 0.1(19) . . . . ?
C26 B2 C133 C55 34.6(16) . . . . ?
C26 B2 C133 C90 -147.1(14) . . . . ?
C27 N4 C47 C24 -176.5(11) . . . . ?
C27 N4 C47 C58 0.0(18) . . . . ?
C27 C49 C53 C58 -1(2) . . . . ?
C28 N8 C18 C15 -174.2(9) . . . . ?
C28 N8 C18 C22 -51.9(13) . . . . ?
C28 C8 C125 C35 174.5(12) . . . . ?
C29 C3 C32 N2 176.3(11) . . . . ?
C29 C39 C52 C5 1.7(18) . . . . ?
C30 C15 C18 N8 -169.7(9) . . . . ?
C30 C15 C18 C22 66.4(12) . . . . ?
C30 C51 C69 C101 1(3) . . . . ?
C30 C64 C130 C101 -2(3) . . . . ?
C31 C17 C23 N2 -61.9(14) . . . . ?
C31 C17 C23 C40 60.0(14) . . . . ?
C31 C17 C33 C41 -2.4(17) . . . . ?
C32 N2 C23 C17 -46.7(14) . . . . ?
C32 N2 C23 C40 -169.9(10) . . . . ?
C32 C3 C29 C39 -176.2(11) . . . . ?
C33 C17 C23 N2 117.9(11) . . . . ?
C33 C17 C23 C40 -120.2(11) . . . . ?
C33 C17 C31 C66 1.9(18) . . . . ?
C36 C44 B2 C26 44.4(15) . . . . ?
C36 C44 B2 C91 -74.1(14) . . . . ?
C36 C44 B2 C133 163.9(11) . . . . ?
C36 C87 C93 C104 -0.5(19) . . . . ?
C37 C44 B2 C26 -138.3(11) . . . . ?
C37 C44 B2 C91 103.2(13) . . . . ?
C37 C44 B2 C133 -18.8(16) . . . . ?
C38 C16 C46 C127 -2.2(18) . . . . ?
C38 C83 C109 C127 0(2) . . . . ?
C40 N3 C24 C47 -178.5(10) . . . . ?
C40 C73 C98 C88 179.0(15) . . . . ?
C41 C34 C66 C31 2(2) . . . . ?
C42 C73 C98 C88 0(2) . . . . ?
C43 N12 C13 C135 -177.2(11) . . . . ?
C43 N12 C13 C14 0.8(18) . . . . ?
C44 C36 C87 C93 3.2(19) . . . . ?
C44 C37 C104 C93 -1(2) . . . . ?
C44 B2 C133 C55 -87.0(14) . . . . ?
C44 B2 C133 C90 91.2(16) . . . . ?
C45 C26 C54 C100 -0.8(17) . . . . ?
C45 C26 B2 C44 24.0(16) . . . . ?
C45 C26 B2 C91 142.8(11) . . . . ?
C45 C26 B2 C133 -95.9(14) . . . . ?
C46 C16 C38 C83 0.4(18) . . . . ?
C47 N4 C27 C134 -179.2(11) . . . . ?
C47 N4 C27 C49 -1.6(18) . . . . ?
C48 C63 C84 C118 -3(2) . . . . ?
C48 C89 C117 C118 3(2) . . . . ?
C49 C53 C58 C47 0(2) . . . . ?
C50 C12 C21 N5 -55.8(15) . . . . ?
C50 C12 C21 C11 67.1(14) . . . . ?
C50 C12 C60 C96 -0.8(19) . . . . ?
C50 C80 C97 C96 -2(3) . . . . ?
C51 C30 C64 C130 1(2) . . . . ?
C51 C69 C101 C130 -2(3) . . . . ?
C54 C26 C45 C92 0.3(18) . . . . ?
C54 C26 B2 C44 -164.1(10) . . . . ?
C54 C26 B2 C91 -45.4(14) . . . . ?
C54 C26 B2 C133 75.9(13) . . . . ?
C55 C72 C103 C106 -1(2) . . . . ?
C56 C4 C74 C114 2(2) . . . . ?
C56 C65 C112 C114 2(3) . . . . ?
C59 C129 C132 C131 -3(3) . . . . ?
C60 C12 C21 N5 123.6(12) . . . . ?
C60 C12 C21 C11 -113.4(12) . . . . ?
C60 C12 C50 C80 0.3(19) . . . . ?
C60 C96 C97 C80 2(3) . . . . ?
C61 C35 C125 C8 1(2) . . . . ?
C62 C81 B1 C48 -29.5(17) . . . . ?
C62 C81 B1 C75 -145.5(13) . . . . ?
C62 C81 B1 C95 89.8(15) . . . . ?
C62 C81 C108 C99 4(2) . . . . ?
C63 C48 C89 C117 -3(2) . . . . ?
C63 C48 B1 C75 -108.5(14) . . . . ?
C63 C48 B1 C81 131.2(13) . . . . ?
C63 C48 B1 C95 16.5(18) . . . . ?
C63 C84 C118 C117 3(2) . . . . ?
C64 C30 C51 C69 0(2) . . . . ?
C65 C112 C114 C74 -2(3) . . . . ?
C66 C34 C41 C33 -3(2) . . . . ?
C67 C99 C108 C81 -3(2) . . . . ?
C69 C101 C130 C64 2(3) . . . . ?
C71 C43 C123 N7 -176.7(11) . . . . ?
C72 C55 C133 C90 2(2) . . . . ?
C72 C55 C133 B2 -179.9(13) . . . . ?
C72 C103 C106 C90 0(2) . . . . ?
C73 C42 C107 C82 3(2) . . . . ?
C74 C4 C56 C65 -3(2) . . . . ?
C75 C94 C116 C120 3(2) . . . . ?
C75 C102 C113 C120 3(2) . . . . ?
C76 C86 C95 B1 178.4(12) . . . . ?
C76 C86 C95 C111 4.3(19) . . . . ?
C76 C105 C119 C111 -1(3) . . . . ?
C77 C85 C91 C110 1(2) . . . . ?
C77 C85 C91 B2 178.1(13) . . . . ?
C77 C115 C122 C110 -4(3) . . . . ?
C78 C131 C132 C129 0(3) . . . . ?
C79 C62 C81 B1 -175.8(12) . . . . ?
C79 C62 C81 C108 -6(2) . . . . ?
C79 C67 C99 C108 3(2) . . . . ?
C81 C62 C79 C67 6(2) . . . . ?
C82 C88 C98 C73 -1(3) . . . . ?
C83 C109 C127 C46 -2(2) . . . . ?
C85 C77 C115 C122 1(2) . . . . ?
C85 C91 C110 C122 -4(2) . . . . ?
C85 C91 B2 C26 91.2(14) . . . . ?
C85 C91 B2 C44 -147.8(12) . . . . ?
C85 C91 B2 C133 -27.7(17) . . . . ?
C86 C76 C105 C119 1(2) . . . . ?
C86 C95 B1 C48 48.8(16) . . . . ?
C86 C95 B1 C75 167.6(12) . . . . ?
C86 C95 B1 C81 -70.2(15) . . . . ?
C86 C95 C111 C119 -4(2) . . . . ?
C87 C36 C44 C37 -4.3(17) . . . . ?
C87 C36 C44 B2 173.3(12) . . . . ?
C87 C93 C104 C37 -0.8(19) . . . . ?
C88 C82 C107 C42 -4(3) . . . . ?
C89 C48 C63 C84 2(2) . . . . ?
C89 C48 B1 C75 67.2(16) . . . . ?
C89 C48 B1 C81 -53.1(16) . . . . ?
C89 C48 B1 C95 -167.8(12) . . . . ?
C89 C117 C118 C84 -4(2) . . . . ?
C91 C110 C122 C115 6(3) . . . . ?
C91 B2 C133 C55 153.2(12) . . . . ?
C91 B2 C133 C90 -28.5(19) . . . . ?
C92 C68 C100 C54 1(2) . . . . ?
C94 C75 B1 C48 81.3(16) . . . . ?
C94 C75 B1 C81 -159.0(12) . . . . ?
C94 C75 B1 C95 -41.1(18) . . . . ?
C94 C75 C102 C113 -1(2) . . . . ?
C94 C116 C120 C113 -1(2) . . . . ?
C95 C111 C119 C105 3(2) . . . . ?
B1 C48 C63 C84 178.3(13) . . . . ?
B1 C48 C89 C117 -178.7(13) . . . . ?
B1 C75 C94 C116 -176.7(14) . . . . ?
B1 C75 C102 C113 174.0(14) . . . . ?
B1 C81 C108 C99 174.6(13) . . . . ?
B1 C95 C111 C119 -178.2(14) . . . . ?
C99 C67 C79 C62 -5(2) . . . . ?
C100 C68 C92 C45 -2(2) . . . . ?
C102 C75 C94 C116 -2(2) . . . . ?
C102 C75 B1 C48 -93.1(14) . . . . ?
C102 C75 B1 C81 26.6(18) . . . . ?
C102 C75 B1 C95 144.5(13) . . . . ?
C102 C113 C120 C116 -2(2) . . . . ?
C104 C37 C44 C36 2.9(18) . . . . ?
C104 C37 C44 B2 -174.6(12) . . . . ?
C105 C76 C86 C95 -3(2) . . . . ?
C106 C90 C133 C55 -3(2) . . . . ?
C106 C90 C133 B2 179.1(13) . . . . ?
C107 C42 C73 C40 -179.8(12) . . . . ?
C107 C42 C73 C98 -1(2) . . . . ?
C107 C82 C88 C98 3(3) . . . . ?
C108 C81 B1 C48 160.5(12) . . . . ?
C108 C81 B1 C75 44.5(17) . . . . ?
C108 C81 B1 C95 -80.1(14) . . . . ?
C110 C91 B2 C26 -91.6(15) . . . . ?
C110 C91 B2 C44 29.3(17) . . . . ?
C110 C91 B2 C133 149.5(14) . . . . ?
C111 C95 B1 C48 -137.6(13) . . . . ?
C111 C95 B1 C75 -18.9(18) . . . . ?
C111 C95 B1 C81 103.3(14) . . . . ?
C115 C77 C85 C91 1(2) . . . . ?
B2 C26 C45 C92 172.7(12) . . . . ?
B2 C26 C54 C100 -173.4(11) . . . . ?
B2 C91 C110 C122 178.4(16) . . . . ?
C123 N7 C15 C18 -114.2(11) . . . . ?
C123 N7 C15 C30 11.3(16) . . . . ?
C123 C43 C71 C70 177.9(12) . . . . ?
C124 C59 C129 C132 4(2) . . . . ?
C124 C78 C131 C132 2(3) . . . . ?
C125 C8 C28 N8 -175.7(11) . . . . ?
C125 C35 C61 C20 1(2) . . . . ?
C129 C59 C124 C6 179.7(12) . . . . ?
C129 C59 C124 C78 -2(2) . . . . ?
C131 C78 C124 C6 177.4(13) . . . . ?
C131 C78 C124 C59 -1(2) . . . . ?
C133 C55 C72 C103 0(2) . . . . ?
C133 C90 C106 C103 2(2) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 300 electrons were 
found in a volume of 1216Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[CH2Cl2] and 2[H2O] per Asymmetric Unit 
which account for 208 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.226 0.015 0.010 303.8 75.2 '1 CH2Cl2'
2 -0.226 0.515 0.490 303.8 75.9 '1 CH2Cl2'
3 0.274 -0.015 0.510 303.8 76.1 '1 CH2Cl2'
4 0.726 0.485 -0.010 303.8 75.0 '1 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
