# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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 2142837'
loop_
_audit_author_name
_audit_author_address
'Jinjiang Wu'
;ciac
China
;
_audit_update_record             
;
2022-01-18 deposited with the CCDC.	2022-06-07 downloaded from the CCDC.
;
_audit_creation_date             2022-01-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C46 H44 Dy F2 N6 O, C24 H20 B, C H4 O, 2(H2 O)'
_chemical_formula_sum            'C71 H72 B Dy F2 N6 O4'
_chemical_formula_weight         1284.65
_chemical_absolute_configuration ?
_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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   16.7090(5)
_cell_length_b                   23.6685(7)
_cell_length_c                   20.7456(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.2300(10)
_cell_angle_gamma                90
_cell_volume                     8156.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9806
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      24.980
_cell_measurement_theta_min      2.276
_shelx_estimated_absorpt_T_max   0.893
_shelx_estimated_absorpt_T_min   0.823
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1168 before and 0.0714 after correction.
The Ratio of minimum to maximum transmission is 0.8681.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.046
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2644
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0668
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            83334
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.036
_diffrn_reflns_theta_max         25.036
_diffrn_reflns_theta_min         2.113
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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         0.944
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                25386
_reflns_number_total             28704
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.806
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.075
_refine_ls_abs_structure_details 
;
 Flack x determined using 10447 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.062(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1453
_refine_ls_number_reflns         28704
_refine_ls_number_restraints     496
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0456
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.061
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0704P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1188
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C132-C88
 1.54 with sigma of 0.02
 C140-C104
 1.432 with sigma of 0.02
 H40-H14B
 2 with sigma of 0.02
 H2B-O2
 0.87 with sigma of 0.02
 O2-H2A
 0.87 with sigma of 0.02
 C114-C117
 1.45 with sigma of 0.02
 C114-C116 \\sim C114-C118
 with sigma of 0.02
 Dy1-H1A \\sim Dy1-H1B
 with sigma of 0.02
3. Rigid bond restraints
 C117, C118, C119, C120, C115, C116
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C79, C103
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C114 \\sim C117 \\sim C118 \\sim C119 \\sim C120 \\sim C115 \\sim C116: within
3.8A with sigma of 0.02 and sigma for terminal atoms of 0.01 within 3.8A
C93 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126 \\sim C121 \\sim
C133: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 3.8A
C96 \\sim C109 \\sim C130 \\sim C111 \\sim C105 \\sim C107 \\sim C110: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C138 \\sim C139 \\sim C134 \\sim C135 \\sim C136 \\sim C137: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
5.a Everything fixed:
 C133, O3, H3A, O5, H5A, H5B, O6, H6A, H6B, O4, H4A, H4B, O8, H8A, H8B
5.b Riding coordinates:
 C127(H12A,H12B,H12C), C133(H13D,H13E,H13F), C142(H14G,H14H,H14I)
5.c Free rotating group:
 O1(H1A,H1B)
5.d Rotating group:
 O2(H2A,H2B)
5.e Ternary CH refined with riding coordinates:
 C13(H13), C36(H36), C39(H39), C40(H40), C43(H43), C60(H60), C74(H74), C93(H93)
5.f Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C9(H9), C12(H12), C15(H15), C16(H16),
 C18(H18), C19(H19), C22(H22), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30),
  C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C38(H38), C41(H41),
 C42(H42), C44(H44), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50), C52(H52),
  C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C61(H61), C62(H62),
 C63(H63), C64(H64), C65(H65), C66(H66), C70(H70), C71(H71), C72(H72), C73(H73),
  C75(H75), C76(H76), C77(H77), C79(H79), C80(H80), C81(H81), C82(H82),
 C83(H83), C84(H84), C85(H85), C86(H86), C87(H87), C89(H89), C90(H90), C91(H91),
  C92(H92), C95(H95), C97(H97), C99(H99), C100(H100), C102(H102), C103(H103),
 C105(H105), C106(H106), C108(H108), C109(H109), C111(H111), C112(H112),
 C115(H115), C116(H116), C119(H119), C120(H120), C123(H123), C124(H124),
 C125(H125), C126(H126), C128(H128), C129(H129), C130(H130), C131(H131),
 C134(H134), C135(H135), C136(H136), C137(H137), C139(H139)
5.g Fitted hexagon refined as free rotating group:
 C115(C116,C117,C118,C119,C120), C121(C122,C123,C124,C125,C126), C134(C135,
 C136,C137,C138,C139)
5.h Idealised Me refined as rotating group:
 C101(H10A,H10B,H10C), C110(H11D,H11E,H11F), C113(H11A,H11B,H11C), C132(H13A,
 H13B,H13C), C140(H14A,H14B,H14C), C141(H14D,H14E,H14F), C114(H11G,H11H,H11I)
5.i Idealised tetrahedral OH refined as rotating group:
 O7(H7A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.77377(2) 0.54469(2) 0.53285(2) 0.03248(10) Uani 1 1 d D . . . .
Dy2 Dy 0.24968(2) 0.44455(2) 0.06860(2) 0.03817(11) Uani 1 1 d . . . . .
F1 F 0.7694(3) 0.5098(2) 0.4363(2) 0.0459(12) Uani 1 1 d . . . . .
F3 F 0.2211(3) 0.4844(2) -0.0241(3) 0.0548(14) Uani 1 1 d . . . . .
F4 F 0.3110(3) 0.4496(3) 0.1658(2) 0.0604(13) Uani 1 1 d . . . . .
N1 N 0.8996(3) 0.4818(2) 0.5684(3) 0.0319(15) Uani 1 1 d . . . . .
N9 N 0.2311(3) 0.5500(3) 0.1009(3) 0.0412(16) Uani 1 1 d . . . . .
F2 F 0.8332(3) 0.6048(2) 0.6037(3) 0.0563(13) Uani 1 1 d . . . . .
N6 N 0.7514(3) 0.4346(2) 0.5533(3) 0.0274(13) Uani 1 1 d . . . . .
N8 N 0.3723(4) 0.5177(3) 0.0605(4) 0.0399(16) Uani 1 1 d . . . . .
O2 O 0.2290(4) 0.3601(3) 0.1302(3) 0.0627(19) Uani 1 1 d D . . . .
H2A H 0.237065 0.355721 0.172122 0.094 Uiso 1 1 d DR U . . .
H2B H 0.211959 0.327318 0.115519 0.094 Uiso 1 1 d DR U . . .
C1 C 0.8124(4) 0.4031(3) 0.5779(4) 0.0321(17) Uani 1 1 d . . . . .
N5 N 0.6228(3) 0.4984(3) 0.5104(4) 0.0386(16) Uani 1 1 d . . . . .
N2 N 0.9139(4) 0.5746(3) 0.4955(4) 0.0420(17) Uani 1 1 d . . . . .
N4 N 0.6469(4) 0.6106(3) 0.5180(4) 0.0406(17) Uani 1 1 d . . . . .
N12 N 0.2602(3) 0.3550(3) -0.0075(3) 0.0335(15) Uani 1 1 d . . . . .
C2 C 0.8922(4) 0.4309(3) 0.5852(4) 0.0330(17) Uani 1 1 d . . . . .
H2 H 0.938280 0.410217 0.602603 0.040 Uiso 1 1 calc R U . . .
C3 C 0.3654(5) 0.5690(4) 0.0766(5) 0.043(2) Uani 1 1 d . . . . .
H3 H 0.408963 0.594416 0.074076 0.052 Uiso 1 1 calc R U . . .
C4 C 0.9135(4) 0.8285(3) 0.2236(3) 0.0300(16) Uani 1 1 d . . . . .
N7 N 0.3915(4) 0.4049(3) 0.0504(3) 0.0391(16) Uani 1 1 d . . . . .
C5 C 0.3336(4) 0.3348(3) -0.0179(4) 0.0365(18) Uani 1 1 d . . . . .
C6 C 0.8053(4) 0.3477(3) 0.5957(4) 0.0322(16) Uani 1 1 d . . . . .
H6 H 0.851531 0.327278 0.613268 0.039 Uiso 1 1 calc R U . . .
C7 C 0.4930(4) 0.7023(3) 0.1327(4) 0.0357(18) Uani 1 1 d . . . . .
H7 H 0.523461 0.668603 0.139842 0.043 Uiso 1 1 calc R U . . .
N11 N 0.1153(4) 0.3924(3) 0.0178(4) 0.0422(17) Uani 1 1 d . . . . .
C8 C 0.6119(4) 0.4455(4) 0.5180(4) 0.0410(18) Uani 1 1 d . . . . .
H8 H 0.559745 0.429674 0.508064 0.049 Uiso 1 1 calc R U . . .
C9 C 1.0834(4) 0.7073(4) 0.3956(4) 0.040(2) Uani 1 1 d . . . . .
H9 H 1.116374 0.674999 0.404684 0.048 Uiso 1 1 calc R U . . .
N10 N 0.1125(4) 0.4747(3) 0.1062(3) 0.0386(15) Uani 1 1 d . . . . .
C10 C 0.9908(4) 0.7430(3) 0.1868(4) 0.0295(16) Uani 1 1 d . . . . .
C11 C 0.1963(5) 0.3286(3) -0.0349(4) 0.0361(18) Uani 1 1 d . . . . .
C12 C 1.0608(4) 0.7235(3) 0.3310(4) 0.0357(17) Uani 1 1 d . . . . .
H12 H 1.078494 0.701582 0.296878 0.043 Uiso 1 1 calc R U . . .
C13 C 0.4508(4) 0.4962(3) 0.0449(4) 0.040(2) Uani 1 1 d . . . . .
H13 H 0.446962 0.488697 -0.002778 0.048 Uiso 1 1 calc R U . . .
C14 C 0.4760(4) 0.7343(3) 0.1857(4) 0.0352(17) Uani 1 1 d . . . . .
C15 C 0.5046(4) 0.7570(4) 0.3791(4) 0.0362(18) Uani 1 1 d . . . . .
H15 H 0.476241 0.724803 0.391770 0.043 Uiso 1 1 calc R U . . .
C16 C 0.7205(5) 0.7223(4) 0.4207(4) 0.041(2) Uani 1 1 d . . . . .
H16 H 0.675561 0.747082 0.416634 0.050 Uiso 1 1 calc R U . . .
C17 C 0.5176(4) 0.7627(3) 0.3134(4) 0.0349(17) Uani 1 1 d . . . . .
C18 C 1.0105(5) 0.7865(3) 0.4313(4) 0.0374(18) Uani 1 1 d . . . . .
H18 H 0.993635 0.809317 0.465011 0.045 Uiso 1 1 calc R U . . .
C19 C 0.9885(4) 0.8005(3) 0.3670(3) 0.0296(16) Uani 1 1 d . . . . .
H19 H 0.954707 0.832401 0.357766 0.036 Uiso 1 1 calc R U . . .
C20 C 1.0511(5) 0.4671(4) 0.5862(5) 0.051(3) Uani 1 1 d . . . . .
C21 C 1.0787(4) 0.8341(3) 0.2368(4) 0.0313(16) Uani 1 1 d . . . . .
C22 C 0.8544(4) 0.6990(3) 0.4026(4) 0.0352(18) Uani 1 1 d . . . . .
H22 H 0.902827 0.707209 0.384364 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6783(4) 0.4102(3) 0.5415(4) 0.0387(19) Uani 1 1 d . . . . .
C24 C 1.0146(4) 0.7476(3) 0.1247(4) 0.0347(17) Uani 1 1 d . . . . .
H24 H 1.044778 0.779724 0.114394 0.042 Uiso 1 1 calc R U . . .
N3 N 0.7823(3) 0.6370(3) 0.4681(3) 0.0340(15) Uani 1 1 d . . . . .
C25 C 0.6470(4) 0.6555(3) 0.4859(4) 0.0366(19) Uani 1 1 d . . . . .
H25 H 0.600036 0.678465 0.480615 0.044 Uiso 1 1 calc R U . . .
O1 O 0.7247(4) 0.5317(2) 0.6342(3) 0.0493(15) Uani 1 1 d G . . . .
H1A H 0.736389 0.496252 0.641404 0.074 Uiso 1 1 d DG U . . .
H1B H 0.760300 0.550023 0.659847 0.074 Uiso 1 1 d DG U . . .
C26 C 0.1522(5) 0.6228(4) 0.1440(5) 0.046(2) Uani 1 1 d . . . . .
H26 H 0.103068 0.633124 0.159892 0.055 Uiso 1 1 calc R U . . .
C27 C 1.0129(4) 0.7708(3) 0.3159(4) 0.0299(16) Uani 1 1 d . . . . .
C28 C 0.5799(5) 0.6731(3) 0.2698(4) 0.0355(17) Uani 1 1 d . . . . .
C29 C 0.7303(4) 0.3214(3) 0.5878(4) 0.041(2) Uani 1 1 d . . . . .
H29 H 0.722518 0.284144 0.602862 0.049 Uiso 1 1 calc R U . . .
C30 C 0.4023(5) 0.3636(3) 0.0146(4) 0.0384(19) Uani 1 1 d . . . . .
H30 H 0.455247 0.351375 0.008931 0.046 Uiso 1 1 calc R U . . .
C31 C 0.9192(4) 0.6154(4) 0.4585(4) 0.039(2) Uani 1 1 d . . . . .
H31 H 0.968618 0.623372 0.441573 0.047 Uiso 1 1 calc R U . . .
C32 C 0.5757(6) 0.8411(4) 0.4099(6) 0.060(3) Uani 1 1 d . . . . .
H32 H 0.596393 0.867051 0.442445 0.072 Uiso 1 1 calc R U . . .
C33 C 0.1010(4) 0.5253(3) 0.1264(4) 0.0386(18) Uani 1 1 d . . . . .
H33 H 0.051483 0.535089 0.142077 0.046 Uiso 1 1 calc R U . . .
C34 C 0.2726(5) 0.2613(4) -0.0868(4) 0.040(2) Uani 1 1 d . . . . .
H34 H 0.276767 0.229325 -0.113843 0.049 Uiso 1 1 calc R U . . .
C35 C 0.8416(4) 0.8081(4) 0.2441(4) 0.0386(18) Uani 1 1 d . . . . .
H35 H 0.844587 0.774782 0.269872 0.046 Uiso 1 1 calc R U . . .
C36 C 0.9804(4) 0.5071(4) 0.5749(5) 0.044(2) Uani 1 1 d . . . . .
H36 H 0.983567 0.533787 0.612476 0.053 Uiso 1 1 calc R U . . .
C37 C 0.1638(5) 0.5669(4) 0.1252(4) 0.0399(19) Uani 1 1 d . . . . .
C38 C 0.6653(4) 0.3540(3) 0.5556(5) 0.043(2) Uani 1 1 d . . . . .
H38 H 0.614060 0.337253 0.544100 0.051 Uiso 1 1 calc R U . . .
C39 C 0.5702(4) 0.5879(4) 0.5380(5) 0.050(3) Uani 1 1 d . . . . .
H39 H 0.580943 0.573611 0.583494 0.060 Uiso 1 1 calc R U . . .
C40 C 0.0451(4) 0.4339(4) 0.1023(5) 0.052(2) Uani 1 1 d . . . . .
H40 H 0.064443 0.401021 0.130015 0.063 Uiso 1 1 calc DR U . . .
C41 C 0.9062(5) 0.8758(4) 0.1839(4) 0.047(2) Uani 1 1 d . . . . .
H41 H 0.952754 0.890336 0.167162 0.056 Uiso 1 1 calc R U . . .
C42 C 0.9455(4) 0.6933(3) 0.1976(4) 0.0376(18) Uani 1 1 d . . . . .
H42 H 0.928089 0.687406 0.239212 0.045 Uiso 1 1 calc R U . . .
C43 C 0.4599(4) 0.4399(4) 0.0806(4) 0.0414(19) Uani 1 1 d . . . . .
H43 H 0.450375 0.446981 0.126673 0.050 Uiso 1 1 calc R U . . .
C44 C 0.7876(5) 0.7347(3) 0.3915(4) 0.040(2) Uani 1 1 d . . . . .
H44 H 0.788976 0.766862 0.364208 0.048 Uiso 1 1 calc R U . . .
C45 C 0.4704(5) 0.5099(4) 0.4932(6) 0.058(3) Uani 1 1 d . . . . .
C46 C 1.0670(5) 0.4297(4) 0.5392(6) 0.054(2) Uani 1 1 d . . . . .
H46 H 1.030995 0.427961 0.500520 0.065 Uiso 1 1 calc R U . . .
C47 C 0.5627(5) 0.8105(3) 0.2990(4) 0.0384(18) Uani 1 1 d . . . . .
H47 H 0.574285 0.816774 0.255800 0.046 Uiso 1 1 calc R U . . .
C48 C 0.4661(5) 0.7187(4) 0.0685(4) 0.044(2) Uani 1 1 d . . . . .
H48 H 0.479395 0.696360 0.033162 0.053 Uiso 1 1 calc R U . . .
C49 C 0.1181(5) 0.3487(4) -0.0210(4) 0.042(2) Uani 1 1 d . . . . .
H49 H 0.070151 0.330801 -0.039491 0.051 Uiso 1 1 calc R U . . .
C50 C 0.4305(5) 0.7843(4) 0.1713(5) 0.048(2) Uani 1 1 d . . . . .
H50 H 0.418433 0.808160 0.205782 0.058 Uiso 1 1 calc R U . . .
C51 C 0.2901(5) 0.5892(4) 0.0991(4) 0.042(2) Uani 1 1 d . . . . .
C52 C 0.5310(5) 0.7961(4) 0.4255(5) 0.046(2) Uani 1 1 d . . . . .
H52 H 0.518076 0.791705 0.468660 0.055 Uiso 1 1 calc R U . . .
C53 C -0.0349(5) 0.4523(4) 0.1255(5) 0.051(2) Uani 1 1 d . . . . .
C54 C 1.0577(5) 0.7385(4) 0.4464(4) 0.045(2) Uani 1 1 d . . . . .
H54 H 1.071918 0.727483 0.490174 0.054 Uiso 1 1 calc R U . . .
C55 C 0.7189(4) 0.6729(3) 0.4563(4) 0.0323(17) Uani 1 1 d . . . . .
B2 B 1.0003(5) 0.7944(3) 0.2398(4) 0.0266(17) Uani 1 1 d . . . . .
C56 C 0.6644(6) 0.6007(4) 0.3258(5) 0.054(2) Uani 1 1 d . . . . .
H56 H 0.669746 0.570361 0.355882 0.065 Uiso 1 1 calc R U . . .
C57 C -0.0826(5) 0.4895(4) 0.0847(5) 0.056(3) Uani 1 1 d . . . . .
H57 H -0.064676 0.502972 0.045597 0.067 Uiso 1 1 calc R U . . .
C58 C 0.1999(5) 0.2805(4) -0.0752(4) 0.042(2) Uani 1 1 d . . . . .
H58 H 0.152118 0.262334 -0.093641 0.050 Uiso 1 1 calc R U . . .
C59 C 1.0804(6) 0.8915(4) 0.2545(5) 0.049(2) Uani 1 1 d . . . . .
H59 H 1.031462 0.908148 0.264437 0.058 Uiso 1 1 calc R U . . .
C60 C 0.5532(4) 0.5372(4) 0.4930(4) 0.046(2) Uani 1 1 d . . . . .
H60 H 0.557338 0.550740 0.447847 0.055 Uiso 1 1 calc R U . . .
C61 C 0.6477(4) 0.6889(4) 0.2398(4) 0.0396(18) Uani 1 1 d . . . . .
H61 H 0.643044 0.719409 0.209885 0.048 Uiso 1 1 calc R U . . .
C62 C 0.5911(5) 0.4184(4) 0.0335(5) 0.056(3) Uani 1 1 d . . . . .
H62 H 0.571994 0.440994 -0.002799 0.067 Uiso 1 1 calc R U . . .
C63 C 0.9266(5) 0.6545(4) 0.1507(5) 0.043(2) Uani 1 1 d . . . . .
H63 H 0.896303 0.622065 0.159884 0.052 Uiso 1 1 calc R U . . .
C64 C 0.3407(5) 0.2880(4) -0.0593(5) 0.047(2) Uani 1 1 d . . . . .
H64 H 0.392277 0.275214 -0.068098 0.056 Uiso 1 1 calc R U . . .
C65 C 0.7679(5) 0.8323(5) 0.2299(5) 0.058(3) Uani 1 1 d . . . . .
H65 H 0.721739 0.816951 0.246555 0.069 Uiso 1 1 calc R U . . .
C66 C 0.7275(7) 0.6156(5) 0.2954(5) 0.067(3) Uani 1 1 d . . . . .
H66 H 0.776542 0.595151 0.302829 0.081 Uiso 1 1 calc R U . . .
C67 C 0.8486(4) 0.6512(3) 0.4411(4) 0.0317(17) Uani 1 1 d . . . . .
B1 B 0.4972(5) 0.7114(4) 0.2608(5) 0.0319(19) Uani 1 1 d . . . . .
C68 C 0.5035(5) 0.6317(4) 0.5360(5) 0.045(2) Uani 1 1 d . . . . .
C69 C 0.5677(6) 0.3772(4) 0.1368(5) 0.058(3) Uani 1 1 d . . . . .
C70 C 1.1522(5) 0.8117(5) 0.2236(4) 0.049(2) Uani 1 1 d . . . . .
H70 H 1.155624 0.772962 0.212262 0.059 Uiso 1 1 calc R U . . .
C71 C 1.2229(5) 0.8464(5) 0.2271(5) 0.061(3) Uani 1 1 d . . . . .
H71 H 1.272982 0.830933 0.218155 0.073 Uiso 1 1 calc R U . . .
C72 C 0.4462(5) 0.6395(4) 0.4826(5) 0.054(3) Uani 1 1 d . . . . .
H72 H 0.447620 0.616123 0.445443 0.065 Uiso 1 1 calc R U . . .
C73 C 0.4343(6) 0.5087(5) 0.5509(7) 0.072(4) Uani 1 1 d . . . . .
H73 H 0.462683 0.523851 0.589191 0.086 Uiso 1 1 calc R U . . .
C74 C 0.0354(5) 0.4121(4) 0.0322(5) 0.050(2) Uani 1 1 d . . . . .
H74 H 0.021216 0.445460 0.003676 0.060 Uiso 1 1 calc R U . . .
C75 C 1.1485(7) 0.9257(4) 0.2586(5) 0.064(3) Uani 1 1 d . . . . .
H75 H 1.145551 0.964059 0.271737 0.077 Uiso 1 1 calc R U . . .
C76 C 0.5903(5) 0.8484(4) 0.3475(5) 0.053(2) Uani 1 1 d . . . . .
H76 H 0.620401 0.880424 0.336541 0.064 Uiso 1 1 calc R U . . .
C77 C 0.9958(5) 0.7068(4) 0.0774(4) 0.047(2) Uani 1 1 d . . . . .
H77 H 1.014770 0.710986 0.036111 0.056 Uiso 1 1 calc R U . . .
C78 C 0.5425(4) 0.4114(4) 0.0814(5) 0.044(2) Uani 1 1 d . . . . .
C79 C 1.1815(6) 0.3976(6) 0.6017(9) 0.094(5) Uani 1 1 d . U . . .
H79 H 1.226498 0.372962 0.608542 0.113 Uiso 1 1 calc R U . . .
C80 C 0.2116(5) 0.6635(4) 0.1398(6) 0.057(3) Uani 1 1 d . . . . .
H80 H 0.203339 0.701761 0.151275 0.069 Uiso 1 1 calc R U . . .
C81 C 0.5910(6) 0.6285(3) 0.3144(4) 0.047(2) Uani 1 1 d . . . . .
H81 H 0.547482 0.617184 0.337369 0.056 Uiso 1 1 calc R U . . .
C82 C 0.6663(5) 0.3947(5) 0.0345(5) 0.061(3) Uani 1 1 d . . . . .
H82 H 0.698972 0.400602 0.000447 0.073 Uiso 1 1 calc R U . . .
C83 C 0.9508(5) 0.6614(4) 0.0892(4) 0.048(2) Uani 1 1 d . . . . .
H83 H 0.935892 0.634526 0.055992 0.058 Uiso 1 1 calc R U . . .
C84 C 1.1351(6) 0.3929(4) 0.5454(7) 0.065(3) Uani 1 1 d . . . . .
H84 H 1.146393 0.367370 0.512287 0.077 Uiso 1 1 calc R U . . .
C85 C 0.2839(4) 0.6457(4) 0.1181(5) 0.046(2) Uani 1 1 d . . . . .
H85 H 0.327451 0.671245 0.116324 0.055 Uiso 1 1 calc R U . . .
C86 C 1.2170(8) 0.9044(7) 0.2441(6) 0.088(4) Uani 1 1 d . . . . .
H86 H 1.263137 0.927985 0.244997 0.105 Uiso 1 1 calc R U . . .
C87 C 0.7210(5) 0.6619(4) 0.2523(5) 0.052(2) Uani 1 1 d . . . . .
H87 H 0.766367 0.674201 0.232111 0.063 Uiso 1 1 calc R U . . .
C88 C 0.4300(5) 0.4890(4) 0.4369(6) 0.063(3) Uani 1 1 d D . . . .
C89 C 0.3885(6) 0.6799(5) 0.4828(6) 0.068(3) Uani 1 1 d . . . . .
H89 H 0.350844 0.685099 0.445541 0.081 Uiso 1 1 calc R U . . .
C90 C 0.4212(6) 0.7664(4) 0.0573(5) 0.056(3) Uani 1 1 d . . . . .
H90 H 0.402000 0.777226 0.014278 0.068 Uiso 1 1 calc R U . . .
C91 C -0.1566(6) 0.5060(5) 0.1029(7) 0.082(4) Uani 1 1 d . . . . .
H91 H -0.189433 0.531973 0.077096 0.098 Uiso 1 1 calc R U . . .
C92 C 0.7618(6) 0.8797(5) 0.1909(5) 0.067(3) Uani 1 1 d . . . . .
H92 H 0.710740 0.896768 0.179524 0.081 Uiso 1 1 calc R U . . .
C93 C 0.9902(5) 0.5423(6) 0.5134(7) 0.086(3) Uani 1 1 d . U . . .
H93 H 1.003689 0.517668 0.476911 0.103 Uiso 1 1 calc R U . . .
C94 C 1.1013(5) 0.4700(4) 0.6450(6) 0.064(3) Uani 1 1 d . . . . .
C95 C 0.8314(7) 0.9029(5) 0.1676(5) 0.063(3) Uani 1 1 d . . . . .
H95 H 0.827866 0.935978 0.141611 0.076 Uiso 1 1 calc R U . . .
C96 C -0.0349(6) 0.3693(7) 0.0196(7) 0.086(3) Uani 1 1 d . U . . .
C97 C 0.3842(7) 0.7132(5) 0.5360(8) 0.083(4) Uani 1 1 d . . . . .
H97 H 0.342018 0.740078 0.536261 0.100 Uiso 1 1 calc R U . . .
C98 C 0.5014(7) 0.6660(5) 0.5918(6) 0.070(3) Uani 1 1 d . . . . .
C99 C 0.3590(6) 0.4861(5) 0.5538(9) 0.093(5) Uani 1 1 d . . . . .
H99 H 0.335805 0.483817 0.593494 0.112 Uiso 1 1 calc R U . . .
C100 C 0.6917(6) 0.3618(5) 0.0875(6) 0.068(3) Uani 1 1 d . . . . .
H100 H 0.742039 0.342999 0.088830 0.082 Uiso 1 1 calc R U . . .
C101 C 0.5169(8) 0.3663(5) 0.1877(6) 0.082(4) Uani 1 1 d . . . . .
H10A H 0.522768 0.397156 0.219368 0.123 Uiso 1 1 calc R U . . .
H10B H 0.533030 0.330622 0.209256 0.123 Uiso 1 1 calc R U . . .
H10C H 0.460645 0.363806 0.168894 0.123 Uiso 1 1 calc R U . . .
C102 C 0.3175(6) 0.4665(5) 0.4947(8) 0.090(5) Uani 1 1 d . . . . .
H102 H 0.264168 0.452602 0.494856 0.108 Uiso 1 1 calc R U . . .
C103 C 1.1699(7) 0.4345(5) 0.6500(8) 0.092(4) Uani 1 1 d . U . . .
H103 H 1.208117 0.436448 0.687396 0.110 Uiso 1 1 calc R U . . .
C104 C -0.0617(8) 0.4338(7) 0.1808(7) 0.088(4) Uani 1 1 d D . . . .
C105 C -0.1559(7) 0.3322(7) -0.0410(8) 0.096(3) Uani 1 1 d . U . . .
H105 H -0.195548 0.333081 -0.077474 0.115 Uiso 1 1 calc R U . . .
C106 C 0.4040(6) 0.7988(4) 0.1095(5) 0.059(3) Uani 1 1 d . . . . .
H106 H 0.372741 0.832125 0.101775 0.071 Uiso 1 1 calc R U . . .
C107 C -0.0941(6) 0.3760(7) -0.0324(7) 0.091(3) Uani 1 1 d . U . . .
C108 C -0.1821(8) 0.4841(7) 0.1595(9) 0.109(6) Uani 1 1 d . . . . .
H108 H -0.234568 0.492845 0.170307 0.131 Uiso 1 1 calc R U . . .
C109 C -0.0344(7) 0.3218(7) 0.0618(8) 0.095(3) Uani 1 1 d . U . . .
H109 H 0.008487 0.316472 0.095226 0.114 Uiso 1 1 calc R U . . .
C110 C -0.0920(7) 0.4219(7) -0.0763(7) 0.097(4) Uani 1 1 d . U . . .
H11D H -0.102676 0.457210 -0.054204 0.146 Uiso 1 1 calc R U . . .
H11E H -0.133035 0.416273 -0.113235 0.146 Uiso 1 1 calc R U . . .
H11F H -0.038697 0.423766 -0.091864 0.146 Uiso 1 1 calc R U . . .
C111 C -0.1562(8) 0.2915(8) 0.0021(8) 0.101(3) Uani 1 1 d . U . . .
H111 H -0.199937 0.265603 -0.001936 0.121 Uiso 1 1 calc R U . . .
C112 C 0.3516(6) 0.4668(5) 0.4376(7) 0.084(4) Uani 1 1 d . . . . .
H112 H 0.323012 0.452321 0.399074 0.101 Uiso 1 1 calc R U . . .
C113 C 0.5639(9) 0.6626(6) 0.6496(7) 0.099(5) Uani 1 1 d . . . . .
H11A H 0.616451 0.673497 0.636667 0.149 Uiso 1 1 calc R U . . .
H11B H 0.566758 0.623767 0.666214 0.149 Uiso 1 1 calc R U . . .
H11C H 0.549319 0.688181 0.683533 0.149 Uiso 1 1 calc R U . . .
C115 C 0.6604(4) 0.6011(3) 0.0971(6) 0.108(4) Uani 1 1 d G U . . .
H115 H 0.707427 0.623032 0.108623 0.130 Uiso 1 1 calc R U . . .
C116 C 0.6256(5) 0.6000(3) 0.0331(5) 0.103(3) Uani 1 1 d DG U . . .
H116 H 0.648792 0.621216 0.000959 0.124 Uiso 1 1 calc R U . . .
C117 C 0.5568(5) 0.5680(4) 0.0162(4) 0.105(3) Uani 1 1 d DG U . . .
C118 C 0.5229(3) 0.5370(3) 0.0632(4) 0.084(3) Uani 1 1 d DG U . . .
C119 C 0.5577(4) 0.5381(3) 0.1272(4) 0.097(3) Uani 1 1 d G U . . .
H119 H 0.534501 0.516892 0.159345 0.116 Uiso 1 1 calc R U . . .
C120 C 0.6265(4) 0.5701(4) 0.1441(4) 0.105(4) Uani 1 1 d G U . . .
H120 H 0.650281 0.570869 0.187817 0.126 Uiso 1 1 calc R U . . .
C121 C 1.1292(6) 0.5807(4) 0.5027(5) 0.111(3) Uani 1 1 d G U . . .
C122 C 1.0606(5) 0.5852(4) 0.5348(6) 0.109(3) Uani 1 1 d G U . . .
C123 C 1.0586(5) 0.6235(4) 0.5853(5) 0.114(3) Uani 1 1 d G U . . .
H123 H 1.011734 0.626594 0.607229 0.136 Uiso 1 1 calc R U . . .
C124 C 1.1251(7) 0.6574(4) 0.6037(5) 0.124(4) Uani 1 1 d G U . . .
H124 H 1.123711 0.683619 0.638267 0.149 Uiso 1 1 calc R U . . .
C125 C 1.1937(5) 0.6529(4) 0.5716(6) 0.126(4) Uani 1 1 d G U . . .
H125 H 1.239117 0.676066 0.584243 0.151 Uiso 1 1 calc R U . . .
C126 C 1.1957(5) 0.6146(5) 0.5211(6) 0.120(3) Uani 1 1 d G U . . .
H126 H 1.242546 0.611489 0.499179 0.144 Uiso 1 1 calc R U . . .
C127 C 1.0914(8) 0.5069(5) 0.6993(7) 0.089(4) Uani 1 1 d . . . . .
H12A H 1.086776 0.546095 0.684305 0.134 Uiso 1 1 d R U . . .
H12B H 1.042546 0.496105 0.718445 0.134 Uiso 1 1 d R U . . .
H12C H 1.138156 0.503185 0.731935 0.134 Uiso 1 1 d R U . . .
C128 C 0.6461(6) 0.3552(5) 0.1393(6) 0.072(3) Uani 1 1 d . . . . .
H128 H 0.668302 0.335576 0.176990 0.086 Uiso 1 1 calc R U . . .
C129 C 0.4416(8) 0.7080(6) 0.5902(7) 0.091(5) Uani 1 1 d . . . . .
H129 H 0.440218 0.732980 0.625943 0.109 Uiso 1 1 calc R U . . .
C130 C -0.0960(7) 0.2841(7) 0.0535(8) 0.099(3) Uani 1 1 d . U . . .
H130 H -0.098000 0.253051 0.082340 0.119 Uiso 1 1 calc R U . . .
C131 C -0.1341(9) 0.4512(9) 0.1987(8) 0.125(6) Uani 1 1 d . . . . .
H131 H -0.150185 0.439690 0.239220 0.150 Uiso 1 1 calc R U . . .
C132 C 0.4655(7) 0.4923(6) 0.3740(7) 0.093(4) Uani 1 1 d D . . . .
H13A H 0.425871 0.479356 0.338863 0.140 Uiso 1 1 calc R U . . .
H13B H 0.513455 0.468261 0.376063 0.140 Uiso 1 1 calc R U . . .
H13C H 0.480559 0.531491 0.365905 0.140 Uiso 1 1 calc R U . . .
C133 C 1.138950 0.544900 0.449830 0.132 Uani 1 1 d . U . . .
H13D H 1.171920 0.512110 0.464370 0.198 Uiso 1 1 d R U . . .
H13E H 1.166300 0.566680 0.418540 0.198 Uiso 1 1 d R U . . .
H13F H 1.086580 0.532010 0.429220 0.198 Uiso 1 1 d R U . . .
C134 C 0.2791(3) 0.6809(3) 0.3055(3) 0.077(3) Uani 1 1 d G U . . .
H134 H 0.236357 0.702424 0.319862 0.092 Uiso 1 1 calc R U . . .
C135 C 0.2685(3) 0.6237(3) 0.2924(3) 0.074(3) Uani 1 1 d G U . . .
H135 H 0.218614 0.606008 0.297796 0.089 Uiso 1 1 calc R U . . .
C136 C 0.3310(4) 0.5922(2) 0.2715(4) 0.082(3) Uani 1 1 d G U . . .
H136 H 0.323805 0.553059 0.262494 0.098 Uiso 1 1 calc R U . . .
C137 C 0.4040(3) 0.6180(3) 0.2636(3) 0.072(2) Uani 1 1 d G U . . .
H137 H 0.446739 0.596525 0.249258 0.087 Uiso 1 1 calc R U . . .
C138 C 0.4146(3) 0.6753(3) 0.2767(3) 0.063(2) Uani 1 1 d G U . . .
C139 C 0.3521(3) 0.7067(2) 0.2977(3) 0.070(2) Uani 1 1 d G U . . .
H139 H 0.359293 0.745891 0.306625 0.084 Uiso 1 1 calc R U . . .
C140 C -0.0233(12) 0.3923(8) 0.2194(8) 0.142(8) Uani 1 1 d D . . . .
H14A H 0.021566 0.409083 0.247374 0.213 Uiso 1 1 calc R U . . .
H14B H -0.002597 0.363231 0.191972 0.213 Uiso 1 1 calc DR U . . .
H14C H -0.061498 0.375258 0.246308 0.213 Uiso 1 1 calc R U . . .
O7 O 0.6705(5) 0.4414(4) 0.3663(4) 0.080(2) Uani 1 1 d . . . . .
H7A H 0.695567 0.465686 0.390096 0.120 Uiso 1 1 calc R U . . .
O3 O 0.600380 0.487010 0.687900 0.092 Uani 1 1 d . . . . .
H3A H 0.648290 0.486530 0.705040 0.138 Uiso 1 1 d . U . . .
C141 C 0.6920(8) 0.4461(7) 0.3035(6) 0.086(3) Uani 1 1 d . . . . .
H14D H 0.647886 0.463690 0.275557 0.130 Uiso 1 1 calc R U . . .
H14E H 0.702738 0.408392 0.286803 0.130 Uiso 1 1 calc R U . . .
H14F H 0.740494 0.469411 0.303904 0.130 Uiso 1 1 calc R U . . .
C142 C 0.5677(8) 0.4313(6) 0.6878(8) 0.101(5) Uani 1 1 d . . . . .
H14G H 0.508893 0.433226 0.685234 0.151 Uiso 1 1 d R U . . .
H14H H 0.583413 0.409816 0.650784 0.151 Uiso 1 1 d R U . . .
H14I H 0.588853 0.412586 0.728214 0.151 Uiso 1 1 d R U . . .
C114 C 0.5194(7) 0.5723(6) -0.0429(8) 0.107(3) Uani 1 1 d D U . . .
H11G H 0.558016 0.583582 -0.072869 0.161 Uiso 1 1 calc R U . . .
H11H H 0.476864 0.600868 -0.043356 0.161 Uiso 1 1 calc R U . . .
H11I H 0.495600 0.535801 -0.056380 0.161 Uiso 1 1 calc R U . . .
O5 O 0.319590 0.518990 0.893070 0.151 Uani 1 1 d . . . . .
H5A H 0.311810 0.506920 0.931490 0.226 Uiso 1 1 d . U . . .
H5B H 0.271510 0.525770 0.874180 0.226 Uiso 1 1 d . U . . .
O6 O 0.524060 0.539350 0.779720 0.163 Uani 1 1 d . . . . .
H6A H 0.528690 0.538190 0.738350 0.244 Uiso 1 1 d . U . . .
H6B H 0.571730 0.549000 0.797440 0.244 Uiso 1 1 d . U . . .
O4 O 0.454760 0.467860 -0.142100 0.153 Uani 1 1 d . . . . .
H4A H 0.409540 0.477910 -0.163840 0.230 Uiso 1 1 d . U . . .
H4B H 0.455100 0.431170 -0.144890 0.230 Uiso 1 1 d . U . . .
O8 O 0.760060 0.602080 0.745330 0.137 Uani 1 1 d . . . . .
H8A H 0.770630 0.638080 0.746200 0.206 Uiso 1 1 d . U . . .
H8B H 0.762710 0.592350 0.785950 0.206 Uiso 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 F1 2.161(5) . ?
Dy1 N1 2.616(6) . ?
Dy1 F2 2.204(5) . ?
Dy1 N6 2.674(6) . ?
Dy1 N5 2.742(6) . ?
Dy1 N2 2.642(6) . ?
Dy1 N4 2.623(6) . ?
Dy1 N3 2.576(6) . ?
Dy1 O1 2.359(6) . ?
Dy2 F3 2.148(6) . ?
Dy2 F4 2.164(5) . ?
Dy2 N9 2.612(8) . ?
Dy2 N8 2.702(7) . ?
Dy2 O2 2.416(7) . ?
Dy2 N12 2.661(6) . ?
Dy2 N7 2.613(6) . ?
Dy2 N11 2.676(7) . ?
Dy2 N10 2.600(6) . ?
N1 C2 1.265(9) . ?
N1 C36 1.469(9) . ?
N9 C37 1.342(10) . ?
N9 C51 1.356(11) . ?
N6 C1 1.321(9) . ?
N6 C23 1.350(9) . ?
N8 C3 1.268(10) . ?
N8 C13 1.475(9) . ?
O2 H2A 0.8716 . ?
O2 H2B 0.8713 . ?
C1 C2 1.478(10) . ?
C1 C6 1.369(11) . ?
N5 C8 1.278(11) . ?
N5 C60 1.494(9) . ?
N2 C31 1.244(10) . ?
N2 C93 1.499(11) . ?
N4 C25 1.256(10) . ?
N4 C39 1.489(9) . ?
N12 C5 1.354(9) . ?
N12 C11 1.313(10) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C3 C51 1.469(11) . ?
C4 C35 1.403(10) . ?
C4 C41 1.388(11) . ?
C4 B2 1.662(10) . ?
N7 C30 1.254(10) . ?
N7 C43 1.493(9) . ?
C5 C30 1.437(11) . ?
C5 C64 1.416(12) . ?
C6 H6 0.9500 . ?
C6 C29 1.394(10) . ?
C7 H7 0.9500 . ?
C7 C14 1.389(11) . ?
C7 C48 1.412(12) . ?
N11 C49 1.315(10) . ?
N11 C74 1.476(9) . ?
C8 H8 0.9500 . ?
C8 C23 1.433(11) . ?
C9 H9 0.9500 . ?
C9 C12 1.406(12) . ?
C9 C54 1.391(13) . ?
N10 C33 1.291(10) . ?
N10 C40 1.481(10) . ?
C10 C24 1.394(10) . ?
C10 C42 1.429(11) . ?
C10 B2 1.635(11) . ?
C11 C49 1.448(10) . ?
C11 C58 1.417(11) . ?
C12 H12 0.9500 . ?
C12 C27 1.392(10) . ?
C13 H13 1.0000 . ?
C13 C43 1.525(13) . ?
C13 C118 1.558(9) . ?
C14 C50 1.422(11) . ?
C14 B1 1.651(12) . ?
C15 H15 0.9500 . ?
C15 C17 1.408(11) . ?
C15 C52 1.373(12) . ?
C16 H16 0.9500 . ?
C16 C44 1.363(11) . ?
C16 C55 1.385(11) . ?
C17 C47 1.408(11) . ?
C17 B1 1.644(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(11) . ?
C18 C54 1.398(12) . ?
C19 H19 0.9500 . ?
C19 C27 1.369(11) . ?
C20 C36 1.512(11) . ?
C20 C46 1.365(14) . ?
C20 C94 1.406(15) . ?
C21 B2 1.620(10) . ?
C21 C59 1.408(11) . ?
C21 C70 1.391(11) . ?
C22 H22 0.9500 . ?
C22 C44 1.399(11) . ?
C22 C67 1.396(10) . ?
C23 C38 1.382(11) . ?
C24 H24 0.9500 . ?
C24 C77 1.388(11) . ?
N3 C55 1.360(9) . ?
N3 C67 1.337(9) . ?
C25 H25 0.9500 . ?
C25 C55 1.466(10) . ?
O1 H1A 0.8701 . ?
O1 H1B 0.8699 . ?
C26 H26 0.9500 . ?
C26 C37 1.397(11) . ?
C26 C80 1.392(12) . ?
C27 B2 1.666(11) . ?
C28 C61 1.400(11) . ?
C28 B1 1.648(10) . ?
C28 C81 1.402(11) . ?
C29 H29 0.9500 . ?
C29 C38 1.436(10) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C67 1.465(10) . ?
C32 H32 0.9500 . ?
C32 C52 1.358(14) . ?
C32 C76 1.356(15) . ?
C33 H33 0.9500 . ?
C33 C37 1.441(11) . ?
C34 H34 0.9500 . ?
C34 C58 1.341(11) . ?
C34 C64 1.370(12) . ?
C35 H35 0.9500 . ?
C35 C65 1.362(12) . ?
C36 H36 1.0000 . ?
C36 C93 1.548(13) . ?
C38 H38 0.9500 . ?
C39 H39 1.0000 . ?
C39 C60 1.529(14) . ?
C39 C68 1.519(11) . ?
C40 H40 1.0000 . ?
C40 C53 1.532(10) . ?
C40 C74 1.533(12) . ?
C41 H41 0.9500 . ?
C41 C95 1.412(13) . ?
C42 H42 0.9500 . ?
C42 C63 1.351(12) . ?
C43 H43 1.0000 . ?
C43 C78 1.535(10) . ?
C44 H44 0.9500 . ?
C45 C60 1.528(10) . ?
C45 C73 1.398(15) . ?
C45 C88 1.375(16) . ?
C46 H46 0.9500 . ?
C46 C84 1.426(13) . ?
C47 H47 0.9500 . ?
C47 C76 1.389(13) . ?
C48 H48 0.9500 . ?
C48 C90 1.362(14) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C50 C106 1.355(14) . ?
C51 C85 1.403(12) . ?
C52 H52 0.9500 . ?
C53 C57 1.408(15) . ?
C53 C104 1.348(15) . ?
C54 H54 0.9500 . ?
C56 H56 0.9500 . ?
C56 C66 1.332(16) . ?
C56 C81 1.390(12) . ?
C57 H57 0.9500 . ?
C57 C91 1.387(13) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C59 C75 1.391(12) . ?
C60 H60 1.0000 . ?
C61 H61 0.9500 . ?
C61 C87 1.382(11) . ?
C62 H62 0.9500 . ?
C62 C78 1.360(13) . ?
C62 C82 1.374(13) . ?
C63 H63 0.9500 . ?
C63 C83 1.389(13) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C65 C92 1.381(16) . ?
C66 H66 0.9500 . ?
C66 C87 1.411(15) . ?
B1 C138 1.687(9) . ?
C68 C72 1.396(13) . ?
C68 C98 1.418(15) . ?
C69 C78 1.431(14) . ?
C69 C101 1.447(17) . ?
C69 C128 1.405(13) . ?
C70 H70 0.9500 . ?
C70 C71 1.435(13) . ?
C71 H71 0.9500 . ?
C71 C86 1.423(18) . ?
C72 H72 0.9500 . ?
C72 C89 1.360(13) . ?
C73 H73 0.9500 . ?
C73 C99 1.374(14) . ?
C74 H74 1.0000 . ?
C74 C96 1.552(14) . ?
C75 H75 0.9500 . ?
C75 C86 1.316(18) . ?
C76 H76 0.9500 . ?
C77 H77 0.9500 . ?
C77 C83 1.350(13) . ?
C79 H79 0.9500 . ?
C79 C84 1.33(2) . ?
C79 C103 1.36(2) . ?
C80 H80 0.9500 . ?
C80 C85 1.398(12) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C82 C100 1.375(16) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C112 1.412(13) . ?
C88 C132 1.493(15) . ?
C89 H89 0.9500 . ?
C89 C97 1.363(19) . ?
C90 H90 0.9500 . ?
C90 C106 1.382(15) . ?
C91 H91 0.9500 . ?
C91 C108 1.39(2) . ?
C92 H92 0.9500 . ?
C92 C95 1.418(16) . ?
C93 H93 1.0000 . ?
C93 C122 1.581(15) . ?
C94 C103 1.417(17) . ?
C94 C127 1.447(18) . ?
C95 H95 0.9500 . ?
C96 C107 1.39(2) . ?
C96 C109 1.42(2) . ?
C97 H97 0.9500 . ?
C97 C129 1.40(2) . ?
C98 C113 1.504(18) . ?
C98 C129 1.407(14) . ?
C99 H99 0.9500 . ?
C99 C102 1.42(2) . ?
C100 H100 0.9500 . ?
C100 C128 1.392(16) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H102 0.9500 . ?
C102 C112 1.37(2) . ?
C103 H103 0.9500 . ?
C104 C131 1.367(17) . ?
C104 C140 1.380(18) . ?
C105 H105 0.9500 . ?
C105 C107 1.460(18) . ?
C105 C111 1.32(2) . ?
C106 H106 0.9500 . ?
C107 C110 1.42(2) . ?
C108 H108 0.9500 . ?
C108 C131 1.33(2) . ?
C109 H109 0.9500 . ?
C109 C130 1.359(18) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H111 0.9500 . ?
C111 C130 1.40(2) . ?
C112 H112 0.9500 . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C115 H115 0.9500 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 H116 0.9500 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C117 C114 1.318(15) . ?
C118 C119 1.3900 . ?
C119 H119 0.9500 . ?
C119 C120 1.3900 . ?
C120 H120 0.9500 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C121 C133 1.409(10) . ?
C122 C123 1.3900 . ?
C123 H123 0.9500 . ?
C123 C124 1.3900 . ?
C124 H124 0.9500 . ?
C124 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C126 1.3900 . ?
C126 H126 0.9500 . ?
C127 H12A 0.9799 . ?
C127 H12B 0.9801 . ?
C127 H12C 0.9800 . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C133 H13D 0.9802 . ?
C133 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C134 H134 0.9500 . ?
C134 C135 1.3900 . ?
C134 C139 1.3900 . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 H136 0.9500 . ?
C136 C137 1.3900 . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C138 C139 1.3900 . ?
C139 H139 0.9500 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
O7 H7A 0.8400 . ?
O7 C141 1.393(13) . ?
O3 H3A 0.8400 . ?
O3 C142 1.427(13) . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 H14G 0.9799 . ?
C142 H14H 0.9801 . ?
C142 H14I 0.9797 . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
O5 H5A 0.8696 . ?
O5 H5B 0.8697 . ?
O6 H6A 0.8705 . ?
O6 H6B 0.8707 . ?
O4 H4A 0.8700 . ?
O4 H4B 0.8704 . ?
O8 H8A 0.8700 . ?
O8 H8B 0.8701 . ?

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
F1 Dy1 N1 89.4(2) . . ?
F1 Dy1 F2 146.40(19) . . ?
F1 Dy1 N6 77.46(19) . . ?
F1 Dy1 N5 75.7(2) . . ?
F1 Dy1 N2 76.8(2) . . ?
F1 Dy1 N4 100.0(2) . . ?
F1 Dy1 N3 80.8(2) . . ?
F1 Dy1 O1 142.8(2) . . ?
N1 Dy1 N6 61.47(17) . . ?
N1 Dy1 N5 121.12(19) . . ?
N1 Dy1 N2 61.60(19) . . ?
N1 Dy1 N4 170.4(2) . . ?
F2 Dy1 N1 83.7(2) . . ?
F2 Dy1 N6 125.8(2) . . ?
F2 Dy1 N5 135.3(2) . . ?
F2 Dy1 N2 70.9(2) . . ?
F2 Dy1 N4 89.6(2) . . ?
F2 Dy1 N3 75.7(2) . . ?
F2 Dy1 O1 70.4(2) . . ?
N6 Dy1 N5 59.73(18) . . ?
N2 Dy1 N6 116.82(18) . . ?
N2 Dy1 N5 152.3(2) . . ?
N4 Dy1 N6 118.23(18) . . ?
N4 Dy1 N5 60.0(2) . . ?
N4 Dy1 N2 122.51(19) . . ?
N3 Dy1 N1 122.78(18) . . ?
N3 Dy1 N6 157.8(2) . . ?
N3 Dy1 N5 110.60(19) . . ?
N3 Dy1 N2 61.26(19) . . ?
N3 Dy1 N4 61.61(18) . . ?
O1 Dy1 N1 91.2(2) . . ?
O1 Dy1 N6 70.32(18) . . ?
O1 Dy1 N5 72.3(2) . . ?
O1 Dy1 N2 134.6(2) . . ?
O1 Dy1 N4 80.1(2) . . ?
O1 Dy1 N3 128.3(2) . . ?
F3 Dy2 F4 147.9(2) . . ?
F3 Dy2 N9 77.8(2) . . ?
F3 Dy2 N8 76.1(2) . . ?
F3 Dy2 O2 143.7(2) . . ?
F3 Dy2 N12 80.9(2) . . ?
F3 Dy2 N7 98.4(2) . . ?
F3 Dy2 N11 75.7(2) . . ?
F3 Dy2 N10 91.7(2) . . ?
F4 Dy2 N9 76.4(2) . . ?
F4 Dy2 N8 74.7(2) . . ?
F4 Dy2 O2 68.5(2) . . ?
F4 Dy2 N12 122.8(2) . . ?
F4 Dy2 N7 79.0(2) . . ?
F4 Dy2 N11 133.2(2) . . ?
F4 Dy2 N10 92.8(2) . . ?
N9 Dy2 N8 61.02(19) . . ?
N9 Dy2 N12 158.6(2) . . ?
N9 Dy2 N11 115.1(2) . . ?
O2 Dy2 N9 128.8(2) . . ?
O2 Dy2 N8 135.7(2) . . ?
O2 Dy2 N12 71.2(2) . . ?
O2 Dy2 N7 87.9(2) . . ?
O2 Dy2 N11 70.5(2) . . ?
O2 Dy2 N10 83.5(2) . . ?
N12 Dy2 N8 111.99(19) . . ?
N12 Dy2 N11 60.35(19) . . ?
N7 Dy2 N9 121.0(2) . . ?
N7 Dy2 N8 61.0(2) . . ?
N7 Dy2 N12 60.59(19) . . ?
N7 Dy2 N11 120.8(2) . . ?
N11 Dy2 N8 151.7(2) . . ?
N10 Dy2 N9 61.8(2) . . ?
N10 Dy2 N8 122.8(2) . . ?
N10 Dy2 N12 120.94(19) . . ?
N10 Dy2 N7 169.9(2) . . ?
N10 Dy2 N11 61.0(2) . . ?
C2 N1 Dy1 121.4(5) . . ?
C2 N1 C36 118.6(6) . . ?
C36 N1 Dy1 119.8(4) . . ?
C37 N9 Dy2 120.6(6) . . ?
C37 N9 C51 116.6(7) . . ?
C51 N9 Dy2 122.6(5) . . ?
C1 N6 Dy1 119.7(4) . . ?
C1 N6 C23 118.3(6) . . ?
C23 N6 Dy1 121.9(5) . . ?
C3 N8 Dy2 120.4(5) . . ?
C3 N8 C13 119.8(7) . . ?
C13 N8 Dy2 119.4(5) . . ?
Dy2 O2 H2A 127.7 . . ?
Dy2 O2 H2B 127.8 . . ?
H2A O2 H2B 104.5 . . ?
N6 C1 C2 116.0(6) . . ?
N6 C1 C6 123.9(6) . . ?
C6 C1 C2 120.1(7) . . ?
C8 N5 Dy1 120.8(5) . . ?
C8 N5 C60 120.8(6) . . ?
C60 N5 Dy1 118.3(5) . . ?
C31 N2 Dy1 120.9(5) . . ?
C31 N2 C93 115.7(6) . . ?
C93 N2 Dy1 123.2(5) . . ?
C25 N4 Dy1 121.2(5) . . ?
C25 N4 C39 120.3(6) . . ?
C39 N4 Dy1 117.5(5) . . ?
C5 N12 Dy2 119.6(5) . . ?
C11 N12 Dy2 122.2(5) . . ?
C11 N12 C5 118.2(7) . . ?
N1 C2 C1 120.7(7) . . ?
N1 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
N8 C3 H3 120.0 . . ?
N8 C3 C51 120.0(8) . . ?
C51 C3 H3 120.0 . . ?
C35 C4 B2 121.9(7) . . ?
C41 C4 C35 115.8(7) . . ?
C41 C4 B2 122.1(7) . . ?
C30 N7 Dy2 123.9(5) . . ?
C30 N7 C43 121.9(7) . . ?
C43 N7 Dy2 113.9(5) . . ?
N12 C5 C30 116.8(7) . . ?
N12 C5 C64 120.6(7) . . ?
C64 C5 C30 122.7(7) . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C29 119.9(7) . . ?
C29 C6 H6 120.0 . . ?
C14 C7 H7 119.1 . . ?
C14 C7 C48 121.7(8) . . ?
C48 C7 H7 119.1 . . ?
C49 N11 Dy2 121.3(5) . . ?
C49 N11 C74 117.8(7) . . ?
C74 N11 Dy2 120.9(5) . . ?
N5 C8 H8 120.1 . . ?
N5 C8 C23 119.9(7) . . ?
C23 C8 H8 120.1 . . ?
C12 C9 H9 119.8 . . ?
C54 C9 H9 119.8 . . ?
C54 C9 C12 120.3(7) . . ?
C33 N10 Dy2 121.3(5) . . ?
C33 N10 C40 119.0(6) . . ?
C40 N10 Dy2 119.6(5) . . ?
C24 C10 C42 114.7(7) . . ?
C24 C10 B2 123.2(7) . . ?
C42 C10 B2 121.4(6) . . ?
N12 C11 C49 117.8(7) . . ?
N12 C11 C58 123.5(7) . . ?
C58 C11 C49 118.6(7) . . ?
C9 C12 H12 119.3 . . ?
C27 C12 C9 121.4(8) . . ?
C27 C12 H12 119.3 . . ?
N8 C13 H13 108.5 . . ?
N8 C13 C43 103.8(7) . . ?
N8 C13 C118 114.5(6) . . ?
C43 C13 H13 108.5 . . ?
C43 C13 C118 112.9(6) . . ?
C118 C13 H13 108.5 . . ?
C7 C14 C50 115.9(8) . . ?
C7 C14 B1 121.8(7) . . ?
C50 C14 B1 121.8(7) . . ?
C17 C15 H15 118.6 . . ?
C52 C15 H15 118.6 . . ?
C52 C15 C17 122.8(8) . . ?
C44 C16 H16 120.5 . . ?
C44 C16 C55 119.0(7) . . ?
C55 C16 H16 120.5 . . ?
C15 C17 C47 115.1(8) . . ?
C15 C17 B1 121.9(7) . . ?
C47 C17 B1 121.9(7) . . ?
C19 C18 H18 120.2 . . ?
C19 C18 C54 119.6(8) . . ?
C54 C18 H18 120.2 . . ?
C18 C19 H19 118.3 . . ?
C27 C19 C18 123.5(7) . . ?
C27 C19 H19 118.3 . . ?
C46 C20 C36 120.3(9) . . ?
C46 C20 C94 120.6(9) . . ?
C94 C20 C36 119.1(10) . . ?
C59 C21 B2 122.9(7) . . ?
C70 C21 B2 121.4(7) . . ?
C70 C21 C59 115.2(7) . . ?
C44 C22 H22 120.6 . . ?
C67 C22 H22 120.6 . . ?
C67 C22 C44 118.7(7) . . ?
N6 C23 C8 117.7(7) . . ?
N6 C23 C38 122.2(7) . . ?
C38 C23 C8 120.0(7) . . ?
C10 C24 H24 118.8 . . ?
C10 C24 C77 122.3(8) . . ?
C77 C24 H24 118.8 . . ?
C55 N3 Dy1 122.5(4) . . ?
C67 N3 Dy1 121.8(5) . . ?
C67 N3 C55 115.6(6) . . ?
N4 C25 H25 119.7 . . ?
N4 C25 C55 120.5(7) . . ?
C55 C25 H25 119.7 . . ?
Dy1 O1 H1A 100.7 . . ?
Dy1 O1 H1B 101.5 . . ?
H1A O1 H1B 104.5 . . ?
C37 C26 H26 119.5 . . ?
C80 C26 H26 119.5 . . ?
C80 C26 C37 121.1(7) . . ?
C12 C27 B2 119.5(7) . . ?
C19 C27 C12 116.9(7) . . ?
C19 C27 B2 122.9(6) . . ?
C61 C28 B1 120.7(7) . . ?
C61 C28 C81 116.1(7) . . ?
C81 C28 B1 122.5(7) . . ?
C6 C29 H29 122.0 . . ?
C6 C29 C38 116.1(7) . . ?
C38 C29 H29 122.0 . . ?
N7 C30 C5 119.2(7) . . ?
N7 C30 H30 120.4 . . ?
C5 C30 H30 120.4 . . ?
N2 C31 H31 120.3 . . ?
N2 C31 C67 119.4(6) . . ?
C67 C31 H31 120.3 . . ?
C52 C32 H32 120.4 . . ?
C76 C32 H32 120.4 . . ?
C76 C32 C52 119.2(10) . . ?
N10 C33 H33 120.2 . . ?
N10 C33 C37 119.6(7) . . ?
C37 C33 H33 120.2 . . ?
C58 C34 H34 120.1 . . ?
C58 C34 C64 119.8(8) . . ?
C64 C34 H34 120.1 . . ?
C4 C35 H35 117.5 . . ?
C65 C35 C4 125.0(9) . . ?
C65 C35 H35 117.5 . . ?
N1 C36 C20 117.1(7) . . ?
N1 C36 H36 107.5 . . ?
N1 C36 C93 108.8(7) . . ?
C20 C36 H36 107.5 . . ?
C20 C36 C93 108.2(7) . . ?
C93 C36 H36 107.5 . . ?
N9 C37 C26 122.3(8) . . ?
N9 C37 C33 116.3(7) . . ?
C26 C37 C33 121.2(7) . . ?
C23 C38 C29 119.1(7) . . ?
C23 C38 H38 120.5 . . ?
C29 C38 H38 120.5 . . ?
N4 C39 H39 108.2 . . ?
N4 C39 C60 102.8(7) . . ?
N4 C39 C68 113.5(6) . . ?
C60 C39 H39 108.2 . . ?
C68 C39 H39 108.2 . . ?
C68 C39 C60 115.6(7) . . ?
N10 C40 H40 106.2 . . ?
N10 C40 C53 118.7(7) . . ?
N10 C40 C74 105.9(7) . . ?
C53 C40 H40 106.2 . . ?
C53 C40 C74 112.8(7) . . ?
C74 C40 H40 106.2 . . ?
C4 C41 H41 119.1 . . ?
C4 C41 C95 121.8(9) . . ?
C95 C41 H41 119.1 . . ?
C10 C42 H42 118.9 . . ?
C63 C42 C10 122.2(8) . . ?
C63 C42 H42 118.9 . . ?
N7 C43 C13 104.4(6) . . ?
N7 C43 H43 107.4 . . ?
N7 C43 C78 114.1(7) . . ?
C13 C43 H43 107.4 . . ?
C13 C43 C78 115.6(7) . . ?
C78 C43 H43 107.4 . . ?
C16 C44 C22 118.4(7) . . ?
C16 C44 H44 120.8 . . ?
C22 C44 H44 120.8 . . ?
C73 C45 C60 119.0(10) . . ?
C88 C45 C60 120.7(9) . . ?
C88 C45 C73 120.2(9) . . ?
C20 C46 H46 118.5 . . ?
C20 C46 C84 123.1(11) . . ?
C84 C46 H46 118.4 . . ?
C17 C47 H47 119.7 . . ?
C76 C47 C17 120.6(8) . . ?
C76 C47 H47 119.7 . . ?
C7 C48 H48 119.9 . . ?
C90 C48 C7 120.1(9) . . ?
C90 C48 H48 119.9 . . ?
N11 C49 C11 118.3(7) . . ?
N11 C49 H49 120.9 . . ?
C11 C49 H49 120.9 . . ?
C14 C50 H50 119.3 . . ?
C106 C50 C14 121.5(9) . . ?
C106 C50 H50 119.3 . . ?
N9 C51 C3 115.9(7) . . ?
N9 C51 C85 124.6(7) . . ?
C85 C51 C3 119.5(8) . . ?
C15 C52 H52 119.8 . . ?
C32 C52 C15 120.3(9) . . ?
C32 C52 H52 119.8 . . ?
C57 C53 C40 116.5(9) . . ?
C104 C53 C40 123.8(10) . . ?
C104 C53 C57 119.7(9) . . ?
C9 C54 C18 118.3(8) . . ?
C9 C54 H54 120.8 . . ?
C18 C54 H54 120.8 . . ?
C16 C55 C25 121.6(6) . . ?
N3 C55 C16 124.3(6) . . ?
N3 C55 C25 114.1(6) . . ?
C4 B2 C27 111.9(6) . . ?
C10 B2 C4 101.9(6) . . ?
C10 B2 C27 112.4(6) . . ?
C21 B2 C4 113.7(6) . . ?
C21 B2 C10 115.2(6) . . ?
C21 B2 C27 102.2(6) . . ?
C66 C56 H56 119.2 . . ?
C66 C56 C81 121.6(10) . . ?
C81 C56 H56 119.2 . . ?
C53 C57 H57 120.8 . . ?
C91 C57 C53 118.4(11) . . ?
C91 C57 H57 120.8 . . ?
C11 C58 H58 120.8 . . ?
C34 C58 C11 118.3(7) . . ?
C34 C58 H58 120.8 . . ?
C21 C59 H59 117.6 . . ?
C75 C59 C21 124.8(9) . . ?
C75 C59 H59 117.6 . . ?
N5 C60 C39 104.3(6) . . ?
N5 C60 C45 114.9(7) . . ?
N5 C60 H60 107.0 . . ?
C39 C60 H60 107.0 . . ?
C45 C60 C39 116.0(7) . . ?
C45 C60 H60 107.0 . . ?
C28 C61 H61 118.8 . . ?
C87 C61 C28 122.4(8) . . ?
C87 C61 H61 118.8 . . ?
C78 C62 H62 118.1 . . ?
C78 C62 C82 123.8(11) . . ?
C82 C62 H62 118.1 . . ?
C42 C63 H63 119.5 . . ?
C42 C63 C83 120.9(8) . . ?
C83 C63 H63 119.5 . . ?
C5 C64 H64 120.2 . . ?
C34 C64 C5 119.5(7) . . ?
C34 C64 H64 120.2 . . ?
C35 C65 H65 120.8 . . ?
C35 C65 C92 118.4(9) . . ?
C92 C65 H65 120.8 . . ?
C56 C66 H66 120.2 . . ?
C56 C66 C87 119.7(9) . . ?
C87 C66 H66 120.2 . . ?
C22 C67 C31 120.3(6) . . ?
N3 C67 C22 123.8(7) . . ?
N3 C67 C31 115.7(6) . . ?
C14 B1 C138 104.7(6) . . ?
C17 B1 C14 113.1(6) . . ?
C17 B1 C28 102.8(6) . . ?
C17 B1 C138 111.1(6) . . ?
C28 B1 C14 112.2(6) . . ?
C28 B1 C138 113.1(6) . . ?
C72 C68 C39 123.3(9) . . ?
C72 C68 C98 119.8(8) . . ?
C98 C68 C39 116.8(9) . . ?
C78 C69 C101 122.9(9) . . ?
C128 C69 C78 115.5(10) . . ?
C128 C69 C101 121.6(11) . . ?
C21 C70 H70 119.6 . . ?
C21 C70 C71 120.8(9) . . ?
C71 C70 H70 119.6 . . ?
C70 C71 H71 120.5 . . ?
C86 C71 C70 119.1(9) . . ?
C86 C71 H71 120.5 . . ?
C68 C72 H72 119.5 . . ?
C89 C72 C68 121.0(11) . . ?
C89 C72 H72 119.5 . . ?
C45 C73 H73 119.1 . . ?
C99 C73 C45 121.8(14) . . ?
C99 C73 H73 119.1 . . ?
N11 C74 C40 107.1(7) . . ?
N11 C74 H74 106.9 . . ?
N11 C74 C96 116.4(8) . . ?
C40 C74 H74 106.9 . . ?
C40 C74 C96 112.3(8) . . ?
C96 C74 H74 106.9 . . ?
C59 C75 H75 120.4 . . ?
C86 C75 C59 119.3(11) . . ?
C86 C75 H75 120.4 . . ?
C32 C76 C47 121.9(9) . . ?
C32 C76 H76 119.1 . . ?
C47 C76 H76 119.1 . . ?
C24 C77 H77 119.6 . . ?
C83 C77 C24 120.9(8) . . ?
C83 C77 H77 119.6 . . ?
C62 C78 C43 123.1(9) . . ?
C62 C78 C69 120.6(8) . . ?
C69 C78 C43 116.3(8) . . ?
C84 C79 H79 117.2 . . ?
C84 C79 C103 125.7(11) . . ?
C103 C79 H79 117.2 . . ?
C26 C80 H80 121.4 . . ?
C26 C80 C85 117.2(8) . . ?
C85 C80 H80 121.4 . . ?
C28 C81 H81 119.4 . . ?
C56 C81 C28 121.2(9) . . ?
C56 C81 H81 119.4 . . ?
C62 C82 H82 121.7 . . ?
C100 C82 C62 116.5(10) . . ?
C100 C82 H82 121.7 . . ?
C63 C83 H83 120.6 . . ?
C77 C83 C63 118.9(8) . . ?
C77 C83 H83 120.6 . . ?
C46 C84 H84 122.9 . . ?
C79 C84 C46 114.3(12) . . ?
C79 C84 H84 122.9 . . ?
C51 C85 H85 121.0 . . ?
C80 C85 C51 118.1(8) . . ?
C80 C85 H85 121.0 . . ?
C71 C86 H86 119.6 . . ?
C75 C86 C71 120.8(9) . . ?
C75 C86 H86 119.6 . . ?
C61 C87 C66 118.9(9) . . ?
C61 C87 H87 120.6 . . ?
C66 C87 H87 120.6 . . ?
C45 C88 C112 119.7(11) . . ?
C45 C88 C132 121.2(8) . . ?
C112 C88 C132 119.1(11) . . ?
C72 C89 H89 119.7 . . ?
C97 C89 C72 120.6(12) . . ?
C97 C89 H89 119.7 . . ?
C48 C90 H90 120.6 . . ?
C48 C90 C106 118.9(9) . . ?
C106 C90 H90 120.6 . . ?
C57 C91 H91 120.3 . . ?
C57 C91 C108 119.3(13) . . ?
C108 C91 H91 120.3 . . ?
C65 C92 H92 119.9 . . ?
C65 C92 C95 120.2(9) . . ?
C95 C92 H92 119.9 . . ?
N2 C93 C36 108.4(7) . . ?
N2 C93 H93 111.4 . . ?
N2 C93 C122 109.2(9) . . ?
C36 C93 H93 111.4 . . ?
C36 C93 C122 104.9(10) . . ?
C122 C93 H93 111.4 . . ?
C20 C94 C103 115.8(13) . . ?
C20 C94 C127 126.7(10) . . ?
C103 C94 C127 117.4(11) . . ?
C41 C95 C92 118.7(10) . . ?
C41 C95 H95 120.6 . . ?
C92 C95 H95 120.6 . . ?
C107 C96 C74 121.2(15) . . ?
C107 C96 C109 121.5(13) . . ?
C109 C96 C74 117.3(11) . . ?
C89 C97 H97 119.8 . . ?
C89 C97 C129 120.5(10) . . ?
C129 C97 H97 119.8 . . ?
C68 C98 C113 122.9(9) . . ?
C129 C98 C68 117.8(12) . . ?
C129 C98 C113 119.1(13) . . ?
C73 C99 H99 121.5 . . ?
C73 C99 C102 117.0(13) . . ?
C102 C99 H99 121.5 . . ?
C82 C100 H100 118.9 . . ?
C82 C100 C128 122.2(9) . . ?
C128 C100 H100 118.9 . . ?
C69 C101 H10A 109.5 . . ?
C69 C101 H10B 109.5 . . ?
C69 C101 H10C 109.5 . . ?
H10A C101 H10B 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C99 C102 H102 118.8 . . ?
C112 C102 C99 122.3(10) . . ?
C112 C102 H102 118.9 . . ?
C79 C103 C94 120.4(12) . . ?
C79 C103 H103 119.8 . . ?
C94 C103 H103 119.8 . . ?
C53 C104 C131 121.2(14) . . ?
C53 C104 C140 123.3(12) . . ?
C131 C104 C140 115.2(14) . . ?
C107 C105 H105 120.3 . . ?
C111 C105 H105 120.3 . . ?
C111 C105 C107 119.4(15) . . ?
C50 C106 C90 121.8(9) . . ?
C50 C106 H106 119.1 . . ?
C90 C106 H106 119.1 . . ?
C96 C107 C105 116.6(16) . . ?
C96 C107 C110 121.3(12) . . ?
C110 C107 C105 122.1(14) . . ?
C91 C108 H108 119.6 . . ?
C131 C108 C91 120.9(11) . . ?
C131 C108 H108 119.6 . . ?
C96 C109 H109 120.4 . . ?
C130 C109 C96 119.1(15) . . ?
C130 C109 H109 120.4 . . ?
C107 C110 H11D 109.5 . . ?
C107 C110 H11E 109.5 . . ?
C107 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C105 C111 H111 118.1 . . ?
C105 C111 C130 123.8(15) . . ?
C130 C111 H111 118.1 . . ?
C88 C112 H112 120.5 . . ?
C102 C112 C88 119.0(13) . . ?
C102 C112 H112 120.5 . . ?
C98 C113 H11A 109.5 . . ?
C98 C113 H11B 109.5 . . ?
C98 C113 H11C 109.5 . . ?
H11A C113 H11B 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C120 120.0 . . ?
C120 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C115 C116 C117 120.0 . . ?
C117 C116 H116 120.0 . . ?
C118 C117 C116 120.0 . . ?
C114 C117 C116 119.2(7) . . ?
C114 C117 C118 120.4(7) . . ?
C117 C118 C13 121.2(6) . . ?
C117 C118 C119 120.0 . . ?
C119 C118 C13 118.5(6) . . ?
C118 C119 H119 120.0 . . ?
C120 C119 C118 120.0 . . ?
C120 C119 H119 120.0 . . ?
C115 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C119 C120 H120 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 C133 126.1(7) . . ?
C126 C121 C133 113.8(7) . . ?
C121 C122 C93 116.3(9) . . ?
C121 C122 C123 120.0 . . ?
C123 C122 C93 123.5(9) . . ?
C122 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C124 C123 H123 120.0 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C94 C127 H12A 109.6 . . ?
C94 C127 H12B 109.2 . . ?
C94 C127 H12C 109.6 . . ?
H12A C127 H12B 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C69 C128 H128 119.5 . . ?
C100 C128 C69 121.1(11) . . ?
C100 C128 H128 119.5 . . ?
C97 C129 C98 120.2(13) . . ?
C97 C129 H129 119.9 . . ?
C98 C129 H129 119.9 . . ?
C109 C130 C111 119.2(18) . . ?
C109 C130 H130 120.4 . . ?
C111 C130 H130 120.4 . . ?
C104 C131 H131 119.9 . . ?
C108 C131 C104 120.2(15) . . ?
C108 C131 H131 119.9 . . ?
C88 C132 H13A 109.5 . . ?
C88 C132 H13B 109.5 . . ?
C88 C132 H13C 109.5 . . ?
H13A C132 H13B 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C121 C133 H13D 110.2 . . ?
C121 C133 H13E 107.5 . . ?
C121 C133 H13F 110.7 . . ?
H13D C133 H13E 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C135 C134 H134 120.0 . . ?
C135 C134 C139 120.0 . . ?
C139 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C137 C136 H136 120.0 . . ?
C136 C137 H137 120.0 . . ?
C138 C137 C136 120.0 . . ?
C138 C137 H137 120.0 . . ?
C137 C138 B1 123.1(5) . . ?
C137 C138 C139 120.0 . . ?
C139 C138 B1 116.6(5) . . ?
C134 C139 H139 120.0 . . ?
C138 C139 C134 120.0 . . ?
C138 C139 H139 120.0 . . ?
C104 C140 H14A 109.5 . . ?
C104 C140 H14B 109.5 . . ?
C104 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C141 O7 H7A 109.5 . . ?
C142 O3 H3A 109.6 . . ?
O7 C141 H14D 109.5 . . ?
O7 C141 H14E 109.5 . . ?
O7 C141 H14F 109.5 . . ?
H14D C141 H14E 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
O3 C142 H14G 109.8 . . ?
O3 C142 H14H 110.3 . . ?
O3 C142 H14I 108.3 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C117 C114 H11G 109.5 . . ?
C117 C114 H11H 109.5 . . ?
C117 C114 H11I 109.5 . . ?
H11G C114 H11H 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
H5A O5 H5B 104.5 . . ?
H6A O6 H6B 104.4 . . ?
H4A O4 H4B 104.5 . . ?
H8A O8 H8B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C2 C1 7.2(10) . . . . ?
Dy1 N1 C36 C20 -171.5(6) . . . . ?
Dy1 N1 C36 C93 -48.5(10) . . . . ?
Dy1 N6 C1 C2 -7.1(9) . . . . ?
Dy1 N6 C1 C6 173.7(6) . . . . ?
Dy1 N6 C23 C8 -0.5(10) . . . . ?
Dy1 N6 C23 C38 -176.1(7) . . . . ?
Dy1 N5 C8 C23 3.1(11) . . . . ?
Dy1 N5 C60 C39 -41.4(7) . . . . ?
Dy1 N5 C60 C45 -169.6(7) . . . . ?
Dy1 N2 C31 C67 6.8(12) . . . . ?
Dy1 N2 C93 C36 -22.0(14) . . . . ?
Dy1 N2 C93 C122 -135.8(7) . . . . ?
Dy1 N4 C25 C55 -0.9(12) . . . . ?
Dy1 N4 C39 C60 -62.2(7) . . . . ?
Dy1 N4 C39 C68 172.3(6) . . . . ?
Dy1 N3 C55 C16 -178.6(7) . . . . ?
Dy1 N3 C55 C25 2.3(10) . . . . ?
Dy1 N3 C67 C22 176.2(6) . . . . ?
Dy1 N3 C67 C31 -8.5(10) . . . . ?
Dy2 N9 C37 C26 179.0(6) . . . . ?
Dy2 N9 C37 C33 -5.6(10) . . . . ?
Dy2 N9 C51 C3 1.1(11) . . . . ?
Dy2 N9 C51 C85 -177.7(7) . . . . ?
Dy2 N8 C3 C51 -0.6(12) . . . . ?
Dy2 N8 C13 C43 -37.5(8) . . . . ?
Dy2 N8 C13 C118 -161.0(6) . . . . ?
Dy2 N12 C5 C30 0.9(10) . . . . ?
Dy2 N12 C5 C64 -178.6(6) . . . . ?
Dy2 N12 C11 C49 -1.8(11) . . . . ?
Dy2 N12 C11 C58 -179.5(6) . . . . ?
Dy2 N7 C30 C5 -1.3(12) . . . . ?
Dy2 N7 C43 C13 -63.9(7) . . . . ?
Dy2 N7 C43 C78 169.0(6) . . . . ?
Dy2 N11 C49 C11 1.1(11) . . . . ?
Dy2 N11 C74 C40 -34.4(10) . . . . ?
Dy2 N11 C74 C96 -160.9(8) . . . . ?
Dy2 N10 C33 C37 3.2(11) . . . . ?
Dy2 N10 C40 C53 179.2(7) . . . . ?
Dy2 N10 C40 C74 -52.8(9) . . . . ?
N1 C36 C93 N2 42.2(13) . . . . ?
N1 C36 C93 C122 158.8(8) . . . . ?
N9 C51 C85 C80 -0.7(14) . . . . ?
N6 C1 C2 N1 0.1(11) . . . . ?
N6 C1 C6 C29 0.2(13) . . . . ?
N6 C23 C38 C29 4.3(14) . . . . ?
N8 C3 C51 N9 -0.3(14) . . . . ?
N8 C3 C51 C85 178.6(9) . . . . ?
N8 C13 C43 N7 62.5(7) . . . . ?
N8 C13 C43 C78 -171.4(7) . . . . ?
N8 C13 C118 C117 -104.7(8) . . . . ?
N8 C13 C118 C119 81.0(8) . . . . ?
C1 N6 C23 C8 176.8(8) . . . . ?
C1 N6 C23 C38 1.3(12) . . . . ?
C1 C6 C29 C38 5.3(12) . . . . ?
N5 C8 C23 N6 -1.7(13) . . . . ?
N5 C8 C23 C38 173.9(9) . . . . ?
N2 C31 C67 C22 176.4(8) . . . . ?
N2 C31 C67 N3 0.9(12) . . . . ?
N2 C93 C122 C121 -126.0(8) . . . . ?
N2 C93 C122 C123 58.0(10) . . . . ?
N4 C25 C55 C16 -180.0(9) . . . . ?
N4 C25 C55 N3 -0.9(12) . . . . ?
N4 C39 C60 N5 62.5(7) . . . . ?
N4 C39 C60 C45 -170.1(7) . . . . ?
N4 C39 C68 C72 93.6(10) . . . . ?
N4 C39 C68 C98 -85.8(10) . . . . ?
N12 C5 C30 N7 0.2(13) . . . . ?
N12 C5 C64 C34 -3.0(14) . . . . ?
N12 C11 C49 N11 0.5(13) . . . . ?
N12 C11 C58 C34 -0.9(13) . . . . ?
C2 N1 C36 C20 14.0(12) . . . . ?
C2 N1 C36 C93 137.0(9) . . . . ?
C2 C1 C6 C29 -179.0(8) . . . . ?
C3 N8 C13 C43 135.2(9) . . . . ?
C3 N8 C13 C118 11.7(12) . . . . ?
C3 C51 C85 C80 -179.5(9) . . . . ?
C4 C35 C65 C92 2.0(14) . . . . ?
C4 C41 C95 C92 -2.2(15) . . . . ?
N7 C43 C78 C62 92.2(10) . . . . ?
N7 C43 C78 C69 -89.2(9) . . . . ?
C5 N12 C11 C49 177.1(8) . . . . ?
C5 N12 C11 C58 -0.6(12) . . . . ?
C6 C1 C2 N1 179.3(8) . . . . ?
C6 C29 C38 C23 -7.4(13) . . . . ?
C7 C14 C50 C106 1.5(13) . . . . ?
C7 C14 B1 C17 149.9(7) . . . . ?
C7 C14 B1 C28 34.1(9) . . . . ?
C7 C14 B1 C138 -89.0(8) . . . . ?
C7 C48 C90 C106 1.3(13) . . . . ?
N11 C74 C96 C107 -107.6(11) . . . . ?
N11 C74 C96 C109 69.9(12) . . . . ?
C8 N5 C60 C39 135.0(8) . . . . ?
C8 N5 C60 C45 6.8(12) . . . . ?
C8 C23 C38 C29 -171.1(8) . . . . ?
C9 C12 C27 C19 -0.6(10) . . . . ?
C9 C12 C27 B2 169.9(6) . . . . ?
N10 C33 C37 N9 1.6(12) . . . . ?
N10 C33 C37 C26 177.1(8) . . . . ?
N10 C40 C53 C57 74.4(11) . . . . ?
N10 C40 C53 C104 -107.5(13) . . . . ?
N10 C40 C74 N11 52.2(10) . . . . ?
N10 C40 C74 C96 -178.8(9) . . . . ?
C10 C24 C77 C83 2.2(12) . . . . ?
C10 C42 C63 C83 0.0(12) . . . . ?
C11 N12 C5 C30 -178.0(8) . . . . ?
C11 N12 C5 C64 2.6(12) . . . . ?
C12 C9 C54 C18 -1.2(11) . . . . ?
C12 C27 B2 C4 153.1(6) . . . . ?
C12 C27 B2 C10 39.1(8) . . . . ?
C12 C27 B2 C21 -84.9(7) . . . . ?
C13 N8 C3 C51 -173.3(8) . . . . ?
C13 C43 C78 C62 -28.9(11) . . . . ?
C13 C43 C78 C69 149.8(8) . . . . ?
C13 C118 C119 C120 174.3(6) . . . . ?
C14 C7 C48 C90 -1.1(12) . . . . ?
C14 C50 C106 C90 -1.4(15) . . . . ?
C14 B1 C138 C137 89.0(6) . . . . ?
C14 B1 C138 C139 -84.3(6) . . . . ?
C15 C17 C47 C76 -0.7(11) . . . . ?
C15 C17 B1 C14 153.1(6) . . . . ?
C15 C17 B1 C28 -85.6(8) . . . . ?
C15 C17 B1 C138 35.7(9) . . . . ?
C17 C15 C52 C32 -3.8(12) . . . . ?
C17 C47 C76 C32 0.3(13) . . . . ?
C17 B1 C138 C137 -148.5(5) . . . . ?
C17 B1 C138 C139 38.1(7) . . . . ?
C18 C19 C27 C12 1.6(10) . . . . ?
C18 C19 C27 B2 -168.5(6) . . . . ?
C19 C18 C54 C9 2.1(11) . . . . ?
C19 C27 B2 C4 -37.1(9) . . . . ?
C19 C27 B2 C10 -151.0(6) . . . . ?
C19 C27 B2 C21 84.9(7) . . . . ?
C20 C36 C93 N2 170.4(9) . . . . ?
C20 C36 C93 C122 -73.1(11) . . . . ?
C20 C46 C84 C79 1.1(13) . . . . ?
C20 C94 C103 C79 -4.3(14) . . . . ?
C21 C59 C75 C86 1.2(16) . . . . ?
C21 C70 C71 C86 -0.1(15) . . . . ?
C23 N6 C1 C2 175.5(7) . . . . ?
C23 N6 C1 C6 -3.6(12) . . . . ?
C24 C10 C42 C63 -0.9(11) . . . . ?
C24 C10 B2 C4 89.5(7) . . . . ?
C24 C10 B2 C21 -34.1(9) . . . . ?
C24 C10 B2 C27 -150.6(6) . . . . ?
C24 C77 C83 C63 -3.0(13) . . . . ?
C25 N4 C39 C60 106.6(9) . . . . ?
C25 N4 C39 C68 -19.0(13) . . . . ?
C26 C80 C85 C51 3.1(14) . . . . ?
C28 C61 C87 C66 1.7(14) . . . . ?
C28 B1 C138 C137 -33.5(9) . . . . ?
C28 B1 C138 C139 153.1(5) . . . . ?
C30 N7 C43 C13 109.6(9) . . . . ?
C30 N7 C43 C78 -17.5(12) . . . . ?
C30 C5 C64 C34 177.5(9) . . . . ?
C31 N2 C93 C36 161.7(9) . . . . ?
C31 N2 C93 C122 47.9(13) . . . . ?
C33 N10 C40 C53 -2.9(13) . . . . ?
C33 N10 C40 C74 125.1(8) . . . . ?
C35 C4 C41 C95 2.6(12) . . . . ?
C35 C4 B2 C10 77.1(8) . . . . ?
C35 C4 B2 C21 -158.3(7) . . . . ?
C35 C4 B2 C27 -43.2(9) . . . . ?
C35 C65 C92 C95 -1.4(15) . . . . ?
C36 N1 C2 C1 -178.4(7) . . . . ?
C36 C20 C46 C84 176.6(7) . . . . ?
C36 C20 C94 C103 -175.1(8) . . . . ?
C36 C20 C94 C127 2.4(14) . . . . ?
C36 C93 C122 C121 118.0(8) . . . . ?
C36 C93 C122 C123 -58.1(10) . . . . ?
C37 N9 C51 C3 176.0(8) . . . . ?
C37 N9 C51 C85 -2.8(13) . . . . ?
C37 C26 C80 C85 -2.0(15) . . . . ?
C39 N4 C25 C55 -169.3(8) . . . . ?
C39 C68 C72 C89 -178.8(8) . . . . ?
C39 C68 C98 C113 3.3(14) . . . . ?
C39 C68 C98 C129 177.9(9) . . . . ?
C40 N10 C33 C37 -174.6(8) . . . . ?
C40 C53 C57 C91 178.1(8) . . . . ?
C40 C53 C104 C131 -179.1(14) . . . . ?
C40 C53 C104 C140 -6(2) . . . . ?
C40 C74 C96 C107 128.5(10) . . . . ?
C40 C74 C96 C109 -54.0(12) . . . . ?
C41 C4 C35 C65 -2.6(12) . . . . ?
C41 C4 B2 C10 -96.6(8) . . . . ?
C41 C4 B2 C21 27.9(10) . . . . ?
C41 C4 B2 C27 143.1(7) . . . . ?
C42 C10 C24 C77 -0.2(10) . . . . ?
C42 C10 B2 C4 -80.3(8) . . . . ?
C42 C10 B2 C21 156.2(7) . . . . ?
C42 C10 B2 C27 39.6(9) . . . . ?
C42 C63 C83 C77 1.9(13) . . . . ?
C43 N7 C30 C5 -174.3(8) . . . . ?
C43 C13 C118 C117 136.8(6) . . . . ?
C43 C13 C118 C119 -37.5(8) . . . . ?
C44 C16 C55 N3 4.5(14) . . . . ?
C44 C16 C55 C25 -176.5(8) . . . . ?
C44 C22 C67 N3 0.3(13) . . . . ?
C44 C22 C67 C31 -174.8(8) . . . . ?
C45 C73 C99 C102 -3.0(16) . . . . ?
C45 C88 C112 C102 0.0(16) . . . . ?
C46 C20 C36 N1 66.1(11) . . . . ?
C46 C20 C36 C93 -57.2(11) . . . . ?
C46 C20 C94 C103 3.3(12) . . . . ?
C46 C20 C94 C127 -179.1(10) . . . . ?
C47 C17 B1 C14 -39.1(9) . . . . ?
C47 C17 B1 C28 82.2(8) . . . . ?
C47 C17 B1 C138 -156.5(7) . . . . ?
C48 C7 C14 C50 -0.3(11) . . . . ?
C48 C7 C14 B1 172.1(7) . . . . ?
C48 C90 C106 C50 -0.1(15) . . . . ?
C49 N11 C74 C40 145.9(9) . . . . ?
C49 N11 C74 C96 19.4(14) . . . . ?
C49 C11 C58 C34 -178.6(8) . . . . ?
C50 C14 B1 C17 -38.2(9) . . . . ?
C50 C14 B1 C28 -153.9(7) . . . . ?
C50 C14 B1 C138 83.0(9) . . . . ?
C51 N9 C37 C26 4.0(12) . . . . ?
C51 N9 C37 C33 179.4(8) . . . . ?
C52 C15 C17 C47 2.4(10) . . . . ?
C52 C15 C17 B1 171.0(7) . . . . ?
C52 C32 C76 C47 -1.6(14) . . . . ?
C53 C40 C74 N11 -176.3(8) . . . . ?
C53 C40 C74 C96 -47.4(13) . . . . ?
C53 C57 C91 C108 -2.0(16) . . . . ?
C53 C104 C131 C108 4(3) . . . . ?
C54 C9 C12 C27 0.4(11) . . . . ?
C54 C18 C19 C27 -2.4(11) . . . . ?
C55 C16 C44 C22 -4.5(13) . . . . ?
C55 N3 C67 C22 -0.6(12) . . . . ?
C55 N3 C67 C31 174.7(7) . . . . ?
B2 C4 C35 C65 -176.7(8) . . . . ?
B2 C4 C41 C95 176.7(8) . . . . ?
B2 C10 C24 C77 -170.6(7) . . . . ?
B2 C10 C42 C63 169.7(7) . . . . ?
B2 C21 C59 C75 173.5(8) . . . . ?
B2 C21 C70 C71 -174.1(8) . . . . ?
C56 C66 C87 C61 -3.4(15) . . . . ?
C57 C53 C104 C131 -1(2) . . . . ?
C57 C53 C104 C140 172.0(15) . . . . ?
C57 C91 C108 C131 5(2) . . . . ?
C58 C11 C49 N11 178.2(8) . . . . ?
C58 C34 C64 C5 1.5(14) . . . . ?
C59 C21 B2 C4 33.3(10) . . . . ?
C59 C21 B2 C10 150.4(8) . . . . ?
C59 C21 B2 C27 -87.4(8) . . . . ?
C59 C21 C70 C71 -1.3(12) . . . . ?
C59 C75 C86 C71 -2.7(17) . . . . ?
C60 N5 C8 C23 -173.2(8) . . . . ?
C60 C39 C68 C72 -24.8(10) . . . . ?
C60 C39 C68 C98 155.9(8) . . . . ?
C60 C45 C73 C99 178.2(9) . . . . ?
C60 C45 C88 C112 -176.5(9) . . . . ?
C60 C45 C88 C132 0.1(14) . . . . ?
C61 C28 B1 C14 41.2(10) . . . . ?
C61 C28 B1 C17 -80.7(9) . . . . ?
C61 C28 B1 C138 159.4(7) . . . . ?
C61 C28 C81 C56 -2.6(12) . . . . ?
C62 C82 C100 C128 -3.5(15) . . . . ?
C64 C5 C30 N7 179.7(9) . . . . ?
C64 C34 C58 C11 0.4(14) . . . . ?
C65 C92 C95 C41 1.6(15) . . . . ?
C66 C56 C81 C28 0.9(14) . . . . ?
C67 C22 C44 C16 2.3(13) . . . . ?
C67 N3 C55 C16 -1.8(12) . . . . ?
C67 N3 C55 C25 179.1(7) . . . . ?
B1 C14 C50 C106 -170.9(8) . . . . ?
B1 C17 C47 C76 -169.3(7) . . . . ?
B1 C28 C61 C87 172.1(8) . . . . ?
B1 C28 C81 C56 -173.2(8) . . . . ?
B1 C138 C139 C134 173.6(6) . . . . ?
C68 C39 C60 N5 -173.4(6) . . . . ?
C68 C39 C60 C45 -45.9(10) . . . . ?
C68 C72 C89 C97 -1.4(14) . . . . ?
C68 C98 C129 C97 3.1(17) . . . . ?
C70 C21 B2 C4 -154.5(7) . . . . ?
C70 C21 B2 C10 -37.4(10) . . . . ?
C70 C21 B2 C27 84.8(8) . . . . ?
C70 C21 C59 C75 0.9(13) . . . . ?
C70 C71 C86 C75 2.2(17) . . . . ?
C72 C68 C98 C113 -176.1(10) . . . . ?
C72 C68 C98 C129 -1.5(14) . . . . ?
C72 C89 C97 C129 3.1(17) . . . . ?
C73 C45 C60 N5 88.0(10) . . . . ?
C73 C45 C60 C39 -34.0(11) . . . . ?
C73 C45 C88 C112 0.4(14) . . . . ?
C73 C45 C88 C132 177.1(10) . . . . ?
C73 C99 C102 C112 3.4(17) . . . . ?
C74 N11 C49 C11 -179.2(8) . . . . ?
C74 C40 C53 C57 -50.2(12) . . . . ?
C74 C40 C53 C104 127.8(12) . . . . ?
C74 C96 C107 C105 178.0(8) . . . . ?
C74 C96 C107 C110 0.8(15) . . . . ?
C74 C96 C109 C130 178.2(9) . . . . ?
C76 C32 C52 C15 3.3(13) . . . . ?
C78 C62 C82 C100 0.5(14) . . . . ?
C78 C69 C128 C100 -6.6(16) . . . . ?
C80 C26 C37 N9 -1.7(14) . . . . ?
C80 C26 C37 C33 -176.9(9) . . . . ?
C81 C28 C61 C87 1.2(12) . . . . ?
C81 C28 B1 C14 -148.6(7) . . . . ?
C81 C28 B1 C17 89.6(9) . . . . ?
C81 C28 B1 C138 -30.3(11) . . . . ?
C81 C56 C66 C87 2.2(15) . . . . ?
C82 C62 C78 C43 177.8(8) . . . . ?
C82 C62 C78 C69 -0.8(14) . . . . ?
C82 C100 C128 C69 6.8(18) . . . . ?
C84 C79 C103 C94 4.0(18) . . . . ?
C88 C45 C60 N5 -95.0(10) . . . . ?
C88 C45 C60 C39 143.0(9) . . . . ?
C88 C45 C73 C99 1.2(15) . . . . ?
C89 C97 C129 C98 -4.0(18) . . . . ?
C91 C108 C131 C104 -6(3) . . . . ?
C93 N2 C31 C67 -176.8(10) . . . . ?
C93 C122 C123 C124 175.9(8) . . . . ?
C94 C20 C36 N1 -115.5(9) . . . . ?
C94 C20 C36 C93 121.3(10) . . . . ?
C94 C20 C46 C84 -1.8(12) . . . . ?
C96 C109 C130 C111 2.9(17) . . . . ?
C98 C68 C72 C89 0.6(13) . . . . ?
C99 C102 C112 C88 -1.9(17) . . . . ?
C101 C69 C78 C43 4.1(14) . . . . ?
C101 C69 C78 C62 -177.2(10) . . . . ?
C101 C69 C128 C100 174.3(11) . . . . ?
C103 C79 C84 C46 -2.2(15) . . . . ?
C104 C53 C57 C91 0.0(15) . . . . ?
C105 C111 C130 C109 2.5(19) . . . . ?
C107 C96 C109 C130 -4.3(17) . . . . ?
C107 C105 C111 C130 -6.3(19) . . . . ?
C109 C96 C107 C105 0.6(15) . . . . ?
C109 C96 C107 C110 -176.6(11) . . . . ?
C111 C105 C107 C96 4.6(16) . . . . ?
C111 C105 C107 C110 -178.2(11) . . . . ?
C113 C98 C129 C97 178.0(12) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C115 C116 C117 C114 172.5(10) . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C117 C118 C13 -174.2(7) . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C13 C43 N7 -172.9(6) . . . . ?
C118 C13 C43 C78 -46.8(9) . . . . ?
C118 C119 C120 C115 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C126 C121 C122 C93 -176.2(8) . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C127 C94 C103 C79 177.9(11) . . . . ?
C128 C69 C78 C43 -175.0(9) . . . . ?
C128 C69 C78 C62 3.8(13) . . . . ?
C132 C88 C112 C102 -176.7(11) . . . . ?
C133 C121 C122 C93 5.5(8) . . . . ?
C133 C121 C122 C123 -178.3(8) . . . . ?
C133 C121 C126 C125 178.5(7) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C134 C139 C138 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 C137 C138 B1 -173.2(6) . . . . ?
C136 C137 C138 C139 0.0 . . . . ?
C137 C138 C139 C134 0.0 . . . . ?
C139 C134 C135 C136 0.0 . . . . ?
C140 C104 C131 C108 -169.3(19) . . . . ?
C114 C117 C118 C13 13.5(10) . . . . ?
C114 C117 C118 C119 -172.4(11) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 1082 electrons were 
found in a volume of 2630Å³ in 1 void per unit cell. 
This is consistent with the presence of 
15[CH3OH] per Asymmetric Unit 
which account for 1080 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 -0.020 0.233 0.240 1315.2 541.1 '30 CH3OH'
2 0.082 -0.267 0.760 1315.2 538.7 '30 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2142838'
loop_
_audit_author_name
_audit_author_address
'Jinjiang Wu'
;ciac
China
;
_audit_update_record             
;
2022-01-18 deposited with the CCDC.	2022-06-07 downloaded from the CCDC.
;
_audit_creation_date             2022-01-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H44 Dy F2 N6 O, C24 H20 B, 2(C H4 O)'
_chemical_formula_sum            'C72 H72 B Dy F2 N6 O3'
_chemical_formula_weight         1280.66
_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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   16.7039(4)
_cell_length_b                   23.7837(7)
_cell_length_c                   20.8546(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.1420(10)
_cell_angle_gamma                90
_cell_volume                     8237.6(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    180.0
_cell_measurement_theta_max      25.011
_cell_measurement_theta_min      2.379
_shelx_estimated_absorpt_T_max   0.886
_shelx_estimated_absorpt_T_min   0.832
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1097 before and 0.0664 after correction.
The Ratio of minimum to maximum transmission is 0.7555.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.033
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2636
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            84217
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.048
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         2.106
_diffrn_ambient_temperature      180.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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         0.940
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                26868
_reflns_number_total             28919
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.464
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details 
;
 Flack x determined using 12041 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.073(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1500
_refine_ls_number_reflns         28919
_refine_ls_number_restraints     632
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0371
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0462P)²+4.1312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0945
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 C139-C101
 1.532 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C19 \\sim C102 \\sim C97 \\sim C98 \\sim C99 \\sim C100 \\sim C101 \\sim C139:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C119 \\sim C120 \\sim C121 \\sim C122 \\sim C117 \\sim C118 \\sim C136: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C51 \\sim C58 \\sim C105 \\sim C88 \\sim C132 \\sim C129 \\sim C138: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C47 \\sim C63 \\sim C113 \\sim C126 \\sim C131 \\sim C104 \\sim C140: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
C108 \\sim C109 \\sim C110 \\sim C111 \\sim C106 \\sim C107 \\sim C134: within
3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
Uanis(Dy1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Everything fixed:
 O4, H4A
4.b Riding coordinates:
 C138(H13G,H13H,H13I), C139(H13M,H13N,H13O), C1(H1C,H1D,H1E)
4.c Rotating group:
 O2(H2A,H2B), O1(H1A,H1B)
4.d Ternary CH refined with riding coordinates:
 C19(H19), C29(H29), C45(H45), C46(H46), C61(H61), C68(H68), C82(H82), C93(H93)
4.e Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C27(H27), C30(H30), C31(H31), C34(H34), C35(H35), C36(H36),
 C38(H38), C40(H40), C41(H41), C43(H43), C44(H44), C48(H48), C49(H49), C50(H50),
  C52(H52), C53(H53), C55(H55), C56(H56), C57(H57), C58(H58), C60(H60),
 C62(H62), C63(H63), C64(H64), C67(H67), C69(H69), C70(H70), C71(H71), C72(H72),
  C73(H73), C74(H74), C75(H75), C76(H76), C78(H78), C80(H80), C81(H81),
 C83(H83), C84(H84), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90), C91(H91),
  C92(H92), C94(H94), C95(H95), C97(H97), C98(H98), C99(H99), C100(H100),
 C103(H103), C105(H105), C106(H106), C109(H109), C110(H110), C111(H111),
 C112(H112), C113(H113), C114(H114), C115(H115), C117(H117), C120(H120),
 C121(H121), C122(H122), C123(H123), C125(H125), C126(H126), C127(H127),
 C128(H128), C131(H131), C132(H132), C133(H133), C135(H135), C137(H137)
4.f Fitted hexagon refined as free rotating group:
 C97(C98,C99,C100,C101,C102), C106(C107,C108,C109,C110,C111), C117(C118,C119,
 C120,C121,C122)
4.g Idealised Me refined as rotating group:
 C116(H11A,H11B,H11C), C130(H13A,H13B,H13C), C134(H13J,H13K,H13L), C136(H13D,
 H13E,H13F), C140(H14D,H14E,H14F), C141(H14A,H14B,H14C), C142(H14G,H14H,H14I),
 C143(H14J,H14K,H14L), C144(H14M,H14N,H14O)
4.h Idealised tetrahedral OH refined as rotating group:
 O7(H7A), O6(H6), O3(H3)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.22609(2) 0.46292(2) 0.47205(2) 0.02942(7) Uani 1 1 d . U . . .
Dy2 Dy 0.75288(2) 0.55235(2) 0.93706(2) 0.03596(8) Uani 1 1 d . . . . .
F1 F 0.2284(2) 0.49545(17) 0.56866(17) 0.0402(9) Uani 1 1 d . . . . .
F3 F 0.7816(2) 0.51148(18) 1.03015(18) 0.0469(10) Uani 1 1 d . . . . .
F2 F 0.1648(3) 0.40209(19) 0.4003(2) 0.0550(11) Uani 1 1 d . . . . .
F4 F 0.6904(2) 0.54244(19) 0.84194(18) 0.0539(10) Uani 1 1 d . . . . .
N1 N 0.1015(3) 0.5239(2) 0.4359(2) 0.0283(11) Uani 1 1 d . . . . .
N8 N 0.6305(3) 0.4785(2) 0.9469(3) 0.0358(12) Uani 1 1 d . . . . .
N6 N 0.2478(3) 0.57105(19) 0.4532(2) 0.0276(11) Uani 1 1 d . . . . .
N9 N 0.7708(3) 0.4454(2) 0.9036(3) 0.0338(12) Uani 1 1 d . . . . .
N4 N 0.3531(3) 0.3970(2) 0.4885(3) 0.0361(13) Uani 1 1 d . . . . .
O2 O 0.7775(3) 0.6335(2) 0.8740(2) 0.0514(13) Uani 1 1 d . . . . .
H2A H 0.807281 0.667907 0.888342 0.077 Uiso 1 1 d R U . . .
H2B H 0.760063 0.640406 0.827942 0.077 Uiso 1 1 d R U . . .
N5 N 0.3770(3) 0.5078(2) 0.4960(3) 0.0371(13) Uani 1 1 d . . . . .
N12 N 0.7426(3) 0.6414(2) 1.0103(2) 0.0305(11) Uani 1 1 d . . . . .
O1 O 0.2742(3) 0.47496(19) 0.3725(2) 0.0458(12) Uani 1 1 d . . . . .
H1A H 0.327616 0.470117 0.376142 0.069 Uiso 1 1 d R U . . .
H1B H 0.268057 0.510551 0.359182 0.069 Uiso 1 1 d R U . . .
N2 N 0.0850(3) 0.4308(2) 0.5070(3) 0.0390(13) Uani 1 1 d . . . . .
C2 C 0.6695(4) 0.6626(3) 1.0203(3) 0.0371(15) Uani 1 1 d . . . . .
C3 C 0.1870(4) 0.6012(3) 0.4256(3) 0.0326(14) Uani 1 1 d . . . . .
N3 N 0.2168(3) 0.3689(2) 0.5375(2) 0.0282(11) Uani 1 1 d . . . . .
N7 N 0.6106(3) 0.5899(2) 0.9539(3) 0.0355(12) Uani 1 1 d . . . . .
N10 N 0.8903(3) 0.5203(2) 0.8992(3) 0.0381(12) Uani 1 1 d . . . . .
C4 C 0.1091(4) 0.5741(3) 0.4187(3) 0.0339(14) Uani 1 1 d . . . . .
H4 H 0.063075 0.594403 0.400859 0.041 Uiso 1 1 calc R U . . .
C5 C 0.5997(4) 0.6322(3) 0.9890(3) 0.0348(14) Uani 1 1 d . . . . .
H5 H 0.546658 0.644105 0.994859 0.042 Uiso 1 1 calc R U . . .
C6 C -0.0840(4) 0.6710(3) 0.2249(3) 0.0334(13) Uani 1 1 d . . . . .
C7 C 0.1955(4) 0.6573(2) 0.4059(3) 0.0344(14) Uani 1 1 d . . . . .
H7 H 0.150837 0.677907 0.386123 0.041 Uiso 1 1 calc R U . . .
N11 N 0.8869(3) 0.6030(2) 0.9873(3) 0.0377(13) Uani 1 1 d . . . . .
C8 C 0.2808(4) 0.2855(3) 0.5861(3) 0.0404(15) Uani 1 1 d . . . . .
H8 H 0.327112 0.262111 0.591439 0.048 Uiso 1 1 calc R U . . .
C9 C 0.3523(4) 0.3514(3) 0.5201(3) 0.0365(15) Uani 1 1 d . . . . .
H9 H 0.399093 0.328457 0.525319 0.044 Uiso 1 1 calc R U . . .
C10 C 0.3884(4) 0.5583(3) 0.4852(3) 0.0404(15) Uani 1 1 d . . . . .
H10 H 0.441443 0.573110 0.491756 0.048 Uiso 1 1 calc R U . . .
C11 C 0.1450(4) 0.3062(3) 0.6028(3) 0.0372(15) Uani 1 1 d . . . . .
H11 H 0.096064 0.297113 0.619826 0.045 Uiso 1 1 calc R U . . .
C12 C 0.0801(4) 0.6668(3) 0.2382(3) 0.0332(13) Uani 1 1 d . . . . .
C13 C 0.0085(4) 0.7183(3) 0.4311(3) 0.0388(15) Uani 1 1 d . . . . .
H13 H -0.010433 0.697313 0.465108 0.047 Uiso 1 1 calc R U . . .
C14 C -0.1559(4) 0.6913(3) 0.2446(3) 0.0427(16) Uani 1 1 d . . . . .
H14 H -0.153457 0.724252 0.270414 0.051 Uiso 1 1 calc R U . . .
C15 C 0.3211(4) 0.5954(3) 0.4625(4) 0.0377(15) Uani 1 1 d . . . . .
C16 C 0.5061(4) 0.2966(3) 0.8694(3) 0.0366(15) Uani 1 1 d . . . . .
H16 H 0.475096 0.330035 0.863950 0.044 Uiso 1 1 calc R U . . .
C17 C 0.7285(4) 0.7369(3) 1.0856(3) 0.0380(15) Uani 1 1 d . . . . .
H17 H 0.724092 0.769718 1.111039 0.046 Uiso 1 1 calc R U . . .
C18 C 0.0163(4) 0.7510(3) 0.1247(3) 0.0343(14) Uani 1 1 d . . . . .
H18 H 0.047314 0.719099 0.115308 0.041 Uiso 1 1 calc R U . . .
C19 C 0.5510(4) 0.4993(3) 0.9620(4) 0.0455(16) Uani 1 1 d . U . . .
H19 H 0.554162 0.506933 1.009361 0.055 Uiso 1 1 calc R U . . .
C20 C 0.0842(4) 0.7957(3) 0.3924(3) 0.0375(15) Uani 1 1 d . . . . .
H20 H 0.118107 0.827604 0.400234 0.045 Uiso 1 1 calc R U . . .
C21 C 0.8059(4) 0.6683(3) 1.0373(3) 0.0349(14) Uani 1 1 d . . . . .
C22 C 0.4967(4) 0.2492(3) 0.6248(3) 0.0377(15) Uani 1 1 d . . . . .
H22 H 0.527641 0.280836 0.614513 0.045 Uiso 1 1 calc R U . . .
C23 C 0.6349(4) 0.4271(3) 0.9296(4) 0.0437(17) Uani 1 1 d . . . . .
H23 H 0.590599 0.402363 0.931719 0.052 Uiso 1 1 calc R U . . .
C24 C 0.8041(4) 0.7158(3) 1.0749(3) 0.0379(15) Uani 1 1 d . . . . .
H24 H 0.852379 0.733495 1.092845 0.046 Uiso 1 1 calc R U . . .
C25 C -0.0122(3) 0.7021(3) 0.3680(3) 0.0319(13) Uani 1 1 d . . . . .
H25 H -0.045536 0.669992 0.359779 0.038 Uiso 1 1 calc R U . . .
C26 C 0.5224(4) 0.2673(3) 0.8147(3) 0.0367(14) Uani 1 1 d . . . . .
C27 C 0.8489(4) 0.3736(3) 0.8585(4) 0.0422(16) Uani 1 1 d . . . . .
H27 H 0.897801 0.363279 0.842129 0.051 Uiso 1 1 calc R U . . .
C28 C 0.2797(4) 0.3340(3) 0.5487(3) 0.0317(13) Uani 1 1 d . . . . .
C29 C 0.5423(3) 0.5553(3) 0.9261(3) 0.0374(14) Uani 1 1 d . . . . .
H29 H 0.551471 0.547515 0.880303 0.045 Uiso 1 1 calc R U . . .
C30 C 0.2127(4) 0.2724(3) 0.6152(4) 0.0414(16) Uani 1 1 d . . . . .
H30 H 0.212117 0.240878 0.643125 0.050 Uiso 1 1 calc R U . . .
C31 C 0.8852(3) 0.6461(3) 1.0241(3) 0.0315(13) Uani 1 1 d . . . . .
H31 H 0.933674 0.663409 1.042310 0.038 Uiso 1 1 calc R U . . .
C32 C -0.0076(3) 0.7566(2) 0.1872(3) 0.0285(12) Uani 1 1 d . . . . .
C33 C 0.4816(3) 0.2426(3) 0.6871(3) 0.0345(14) Uani 1 1 d . . . . .
C34 C 0.0570(4) 0.7652(3) 0.4453(3) 0.0460(17) Uani 1 1 d . . . . .
H34 H 0.071591 0.776574 0.488607 0.055 Uiso 1 1 calc R U . . .
C35 C 0.5682(4) 0.2172(3) 0.8262(3) 0.0442(16) Uani 1 1 d . . . . .
H35 H 0.579722 0.194442 0.790905 0.053 Uiso 1 1 calc R U . . .
C36 C 0.3351(5) 0.4042(3) 0.6810(4) 0.057(2) Uani 1 1 d . . . . .
H36 H 0.330011 0.435675 0.652905 0.068 Uiso 1 1 calc R U . . .
C37 C 0.4185(4) 0.3296(3) 0.7344(3) 0.0354(14) Uani 1 1 d . . . . .
C38 C 0.6610(4) 0.7095(3) 1.0588(3) 0.0416(16) Uani 1 1 d . . . . .
H38 H 0.609019 0.722267 1.066481 0.050 Uiso 1 1 calc R U . . .
C39 C 0.4969(4) 0.3758(3) 0.4701(4) 0.0445(18) Uani 1 1 d . . . . .
C40 C 0.0613(3) 0.7786(3) 0.3314(3) 0.0323(13) Uani 1 1 d . . . . .
H40 H 0.078497 0.800253 0.297093 0.039 Uiso 1 1 calc R U . . .
C41 C 0.5532(4) 0.3693(3) 0.5228(4) 0.051(2) Uani 1 1 d . . . . .
H41 H 0.550812 0.392488 0.559591 0.061 Uiso 1 1 calc R U . . .
C42 C 0.8380(4) 0.4283(3) 0.8808(3) 0.0404(15) Uani 1 1 d . . . . .
C43 C 0.2708(4) 0.6812(3) 0.4163(3) 0.0361(14) Uani 1 1 d . . . . .
H43 H 0.278299 0.719077 0.403943 0.043 Uiso 1 1 calc R U . . .
C44 C -0.0902(4) 0.6248(3) 0.1862(3) 0.0385(15) Uani 1 1 d . . . . .
H44 H -0.042929 0.609925 0.171095 0.046 Uiso 1 1 calc R U . . .
C45 C 0.4300(4) 0.4187(3) 0.4689(4) 0.0381(16) Uani 1 1 d . . . . .
H45 H 0.419289 0.433126 0.423744 0.046 Uiso 1 1 calc R U . . .
C46 C 0.0189(4) 0.4982(3) 0.4286(4) 0.0421(16) Uani 1 1 d . . . . .
H46 H 0.016111 0.473506 0.389651 0.050 Uiso 1 1 calc R U . . .
C47 C 1.0370(4) 0.5405(3) 0.8836(4) 0.0532(17) Uani 1 1 d . U . . .
C48 C 0.1557(4) 0.6885(4) 0.2248(3) 0.0466(18) Uani 1 1 d . . . . .
H48 H 0.159410 0.726642 0.211961 0.056 Uiso 1 1 calc R U . . .
C49 C 0.4075(4) 0.3756(3) 0.6915(3) 0.0428(16) Uani 1 1 d . . . . .
H49 H 0.451183 0.387216 0.669062 0.051 Uiso 1 1 calc R U . . .
C50 C 0.3372(4) 0.6498(3) 0.4454(4) 0.0402(15) Uani 1 1 d . . . . .
H50 H 0.389691 0.665451 0.452577 0.048 Uiso 1 1 calc R U . . .
C51 C -0.0499(4) 0.5384(3) 0.4177(4) 0.0588(19) Uani 1 1 d . U . . .
C52 C 0.4131(4) 0.5770(3) 0.9757(3) 0.0415(16) Uani 1 1 d . . . . .
H52 H 0.433919 0.556320 1.012745 0.050 Uiso 1 1 calc R U . . .
C53 C -0.2297(4) 0.6670(3) 0.2292(3) 0.0475(18) Uani 1 1 d . . . . .
H53 H -0.277281 0.681975 0.243719 0.057 Uiso 1 1 calc R U . . .
C54 C 0.4588(4) 0.5838(3) 0.9244(3) 0.0400(16) Uani 1 1 d . . . . .
C55 C 0.9001(4) 0.4702(3) 0.8799(3) 0.0382(15) Uani 1 1 d . . . . .
H55 H 0.949730 0.460287 0.864512 0.046 Uiso 1 1 calc R U . . .
C56 C 0.4238(5) 0.1646(3) 0.5896(4) 0.055(2) Uani 1 1 d . . . . .
H56 H 0.405022 0.138360 0.557121 0.067 Uiso 1 1 calc R U . . .
C57 C 0.4359(4) 0.1945(3) 0.7006(4) 0.0415(15) Uani 1 1 d . . . . .
H57 H 0.424377 0.186997 0.743437 0.050 Uiso 1 1 calc R U . . .
C58 C -0.0681(4) 0.5762(4) 0.4634(5) 0.0600(19) Uani 1 1 d . U . . .
H58 H -0.033348 0.578304 0.502432 0.072 Uiso 1 1 calc R U . . .
C59 C 0.0137(3) 0.7311(2) 0.3154(3) 0.0280(12) Uani 1 1 d . . . . .
C60 C 0.7190(4) 0.3510(3) 0.8850(4) 0.0452(17) Uani 1 1 d . . . . .
H60 H 0.676604 0.324820 0.887924 0.054 Uiso 1 1 calc R U . . .
C61 C 0.4461(4) 0.4696(3) 0.5138(4) 0.0459(17) Uani 1 1 d . . . . .
H61 H 0.442255 0.456374 0.558859 0.055 Uiso 1 1 calc R U . . .
C62 C 0.0791(4) 0.3906(3) 0.5451(3) 0.0361(15) Uani 1 1 d . . . . .
H62 H 0.029463 0.382973 0.561790 0.043 Uiso 1 1 calc R U . . .
C63 C 1.0861(5) 0.5066(3) 0.9211(4) 0.0553(18) Uani 1 1 d . U . . .
H63 H 1.069292 0.494473 0.960929 0.066 Uiso 1 1 calc R U . . .
C64 C 0.3356(4) 0.6011(4) 0.9724(4) 0.057(2) Uani 1 1 d . . . . .
H64 H 0.303191 0.596684 1.006766 0.068 Uiso 1 1 calc R U . . .
C65 C 0.1510(4) 0.3551(2) 0.5637(3) 0.0273(13) Uani 1 1 d . . . . .
C66 C 0.4310(4) 0.6167(3) 0.8704(4) 0.056(2) Uani 1 1 d . . . . .
C67 C 0.7873(4) 0.3348(3) 0.8606(4) 0.0476(18) Uani 1 1 d . . . . .
H67 H 0.792851 0.297579 0.845187 0.057 Uiso 1 1 calc R U . . .
C68 C 0.9582(4) 0.5622(3) 0.9034(3) 0.0413(16) Uani 1 1 d . . . . .
H68 H 0.940812 0.594689 0.874925 0.050 Uiso 1 1 calc R U . . .
C69 C 0.2207(6) 0.5983(4) 0.2497(4) 0.073(3) Uani 1 1 d . . . . .
H69 H 0.267188 0.575050 0.252667 0.087 Uiso 1 1 calc R U . . .
C70 C 0.2716(5) 0.3868(4) 0.7113(4) 0.056(2) Uani 1 1 d . . . . .
H70 H 0.221511 0.405872 0.703962 0.068 Uiso 1 1 calc R U . . .
C71 C -0.0038(4) 0.7905(3) 0.0759(3) 0.0425(16) Uani 1 1 d . . . . .
H71 H 0.013347 0.784403 0.034410 0.051 Uiso 1 1 calc R U . . .
C72 C 0.3510(4) 0.3140(3) 0.7631(4) 0.0467(17) Uani 1 1 d . . . . .
H72 H 0.354700 0.282611 0.791473 0.056 Uiso 1 1 calc R U . . .
C73 C 0.5787(4) 0.2304(3) 0.9418(4) 0.0497(19) Uani 1 1 d . . . . .
H73 H 0.596989 0.217921 0.984093 0.060 Uiso 1 1 calc R U . . .
C74 C -0.1662(5) 0.5979(3) 0.1675(4) 0.055(2) Uani 1 1 d . . . . .
H74 H -0.169252 0.566365 0.139418 0.066 Uiso 1 1 calc R U . . .
C75 C 0.5327(4) 0.2795(3) 0.9317(3) 0.0434(16) Uani 1 1 d . . . . .
H75 H 0.519669 0.301024 0.967550 0.052 Uiso 1 1 calc R U . . .
C76 C 0.4698(4) 0.2124(3) 0.5750(4) 0.0463(17) Uani 1 1 d . . . . .
H76 H 0.481849 0.219202 0.532212 0.056 Uiso 1 1 calc R U . . .
C77 C 0.5287(4) 0.4964(3) 0.5123(5) 0.057(2) Uani 1 1 d . . . . .
C78 C 0.2253(5) 0.6547(5) 0.2302(4) 0.070(3) Uani 1 1 d . . . . .
H78 H 0.275222 0.670008 0.220698 0.085 Uiso 1 1 calc R U . . .
B2 B 0.0022(4) 0.7066(3) 0.2414(3) 0.0269(13) Uani 1 1 d . . . . .
C79 C 0.5833(4) 0.3274(3) 0.7293(4) 0.0428(16) Uani 1 1 d . . . . .
C80 C 0.0834(5) 0.6112(3) 0.2590(3) 0.0438(16) Uani 1 1 d . . . . .
H80 H 0.035209 0.594853 0.270786 0.053 Uiso 1 1 calc R U . . .
C81 C 0.1517(6) 0.5781(4) 0.2639(4) 0.059(2) Uani 1 1 d . . . . .
H81 H 0.148625 0.540122 0.277639 0.071 Uiso 1 1 calc R U . . .
C82 C 0.9687(4) 0.5835(3) 0.9740(3) 0.0413(16) Uani 1 1 d . . . . .
H82 H 0.983018 0.550362 1.002390 0.050 Uiso 1 1 calc R U . . .
C83 C -0.0513(4) 0.8061(3) 0.1956(3) 0.0398(15) Uani 1 1 d . . . . .
H83 H -0.067731 0.812859 0.237164 0.048 Uiso 1 1 calc R U . . .
C84 C -0.0720(4) 0.8452(3) 0.1486(3) 0.0428(16) Uani 1 1 d . . . . .
H84 H -0.102590 0.877399 0.157367 0.051 Uiso 1 1 calc R U . . .
C85 C 0.7110(4) 0.4066(3) 0.9059(3) 0.0337(14) Uani 1 1 d . . . . .
C86 C -0.2307(5) 0.6173(4) 0.1895(4) 0.066(2) Uani 1 1 d . . . . .
H86 H -0.280236 0.598060 0.179068 0.080 Uiso 1 1 calc R U . . .
C87 C -0.0466(5) 0.8366(3) 0.0861(3) 0.0466(18) Uani 1 1 d . . . . .
H87 H -0.059776 0.863090 0.052556 0.056 Uiso 1 1 calc R U . . .
C88 C -0.1835(5) 0.6046(4) 0.3985(6) 0.075(2) Uani 1 1 d . U . . .
H88 H -0.232044 0.625747 0.393447 0.090 Uiso 1 1 calc R U . . .
C89 C 0.6149(5) 0.3282(4) 0.5228(5) 0.061(2) Uani 1 1 d . . . . .
H89 H 0.652973 0.323644 0.559619 0.073 Uiso 1 1 calc R U . . .
C90 C 0.5632(4) 0.5000(3) 0.4540(5) 0.060(2) Uani 1 1 d . . . . .
H90 H 0.533644 0.486942 0.415398 0.072 Uiso 1 1 calc R U . . .
C91 C 0.4081(5) 0.1581(3) 0.6503(4) 0.0535(19) Uani 1 1 d . . . . .
H91 H 0.376177 0.126847 0.660188 0.064 Uiso 1 1 calc R U . . .
C92 C 0.6191(6) 0.2962(4) 0.4709(7) 0.085(4) Uani 1 1 d . . . . .
H92 H 0.661271 0.269472 0.470011 0.102 Uiso 1 1 calc R U . . .
C93 C 0.0093(4) 0.4600(4) 0.4856(4) 0.059(2) Uani 1 1 d . . . . .
H93 H -0.006967 0.483169 0.522034 0.071 Uiso 1 1 calc R U . . .
C94 C 0.3079(5) 0.6313(4) 0.9175(5) 0.073(3) Uani 1 1 d . . . . .
H94 H 0.255296 0.646961 0.913517 0.087 Uiso 1 1 calc R U . . .
C95 C 0.2795(4) 0.3417(4) 0.7523(4) 0.055(2) Uani 1 1 d . . . . .
H95 H 0.234778 0.329668 0.773390 0.066 Uiso 1 1 calc R U . . .
C96 C 0.5013(6) 0.3416(3) 0.4163(5) 0.064(2) Uani 1 1 d . . . . .
C97 C 0.4442(3) 0.4605(3) 0.8800(3) 0.084(2) Uani 1 1 d G U . . .
H97 H 0.466775 0.482498 0.848433 0.101 Uiso 1 1 calc R U . . .
C98 C 0.3761(4) 0.4281(3) 0.8627(3) 0.092(2) Uani 1 1 d G U . . .
H98 H 0.352081 0.427915 0.819310 0.111 Uiso 1 1 calc R U . . .
C99 C 0.3431(3) 0.3958(2) 0.9089(4) 0.080(2) Uani 1 1 d G U . . .
H99 H 0.296575 0.373686 0.897082 0.095 Uiso 1 1 calc R U . . .
C100 C 0.3783(4) 0.3961(3) 0.9724(3) 0.091(2) Uani 1 1 d G U . . .
H100 H 0.355763 0.374039 1.003978 0.109 Uiso 1 1 calc R U . . .
C101 C 0.4464(4) 0.4285(3) 0.9897(3) 0.084(2) Uani 1 1 d DG U . . .
C102 C 0.4794(3) 0.4607(3) 0.9435(3) 0.0662(18) Uani 1 1 d G U . . .
C103 C 0.5965(5) 0.2013(4) 0.8892(4) 0.063(2) Uani 1 1 d . . . . .
H103 H 0.629412 0.168826 0.895435 0.075 Uiso 1 1 calc R U . . .
B1 B 0.5019(4) 0.2915(3) 0.7417(4) 0.0400(17) Uani 1 1 d . . . . .
C104 C 1.0626(5) 0.5561(5) 0.8237(5) 0.072(2) Uani 1 1 d . U . . .
C105 C -0.1343(5) 0.6114(4) 0.4561(5) 0.074(2) Uani 1 1 d . U . . .
H105 H -0.145211 0.638161 0.487834 0.089 Uiso 1 1 calc R U . . .
C106 C 1.1582(3) 0.6592(3) 1.0465(3) 0.091(3) Uani 1 1 d G U . . .
H106 H 1.198703 0.655241 1.081833 0.110 Uiso 1 1 calc R U . . .
C107 C 1.0964(4) 0.6199(3) 1.0371(3) 0.080(2) Uani 1 1 d G U . . .
C108 C 1.0371(3) 0.6256(3) 0.9855(3) 0.073(2) Uani 1 1 d G U . . .
C109 C 1.0395(3) 0.6707(3) 0.9432(3) 0.080(2) Uani 1 1 d G U . . .
H109 H 0.999004 0.674583 0.907934 0.096 Uiso 1 1 calc R U . . .
C110 C 1.1013(4) 0.7099(3) 0.9526(3) 0.093(3) Uani 1 1 d G U . . .
H110 H 1.102984 0.740696 0.923757 0.111 Uiso 1 1 calc R U . . .
C111 C 1.1606(3) 0.7042(3) 1.0043(4) 0.096(3) Uani 1 1 d G U . . .
H111 H 1.202835 0.731027 1.010706 0.116 Uiso 1 1 calc R U . . .
C112 C 0.6390(5) 0.5219(4) 0.4517(6) 0.080(3) Uani 1 1 d . . . . .
H112 H 0.663119 0.522238 0.412431 0.096 Uiso 1 1 calc R U . . .
C113 C 1.1601(5) 0.4883(4) 0.9049(5) 0.073(2) Uani 1 1 d . U . . .
H113 H 1.193303 0.464836 0.933353 0.087 Uiso 1 1 calc R U . . .
C114 C 0.5948(6) 0.3846(4) 0.7453(5) 0.073(3) Uani 1 1 d . . . . .
H114 H 0.553472 0.405003 0.763016 0.088 Uiso 1 1 calc R U . . .
C115 C 0.6675(8) 0.4117(5) 0.7350(6) 0.090(4) Uani 1 1 d . . . . .
H115 H 0.672382 0.450825 0.743501 0.108 Uiso 1 1 calc R U . . .
C116 C 0.4817(6) 0.6263(4) 0.8179(4) 0.073(3) Uani 1 1 d . . . . .
H11A H 0.536527 0.635811 0.836219 0.109 Uiso 1 1 calc R U . . .
H11B H 0.459419 0.657326 0.790678 0.109 Uiso 1 1 calc R U . . .
H11C H 0.483012 0.592092 0.791803 0.109 Uiso 1 1 calc R U . . .
C117 C -0.1964(3) 0.3800(4) 0.4649(4) 0.095(3) Uani 1 1 d G U . . .
H117 H -0.246557 0.380171 0.482468 0.114 Uiso 1 1 calc R U . . .
C118 C -0.1357(5) 0.4168(3) 0.4885(4) 0.097(3) Uani 1 1 d G U . . .
C119 C -0.0623(4) 0.4164(3) 0.4627(4) 0.081(2) Uani 1 1 d G U . . .
C120 C -0.0497(4) 0.3793(3) 0.4133(4) 0.092(3) Uani 1 1 d G U . . .
H120 H 0.000492 0.379099 0.395700 0.110 Uiso 1 1 calc R U . . .
C121 C -0.1104(5) 0.3425(3) 0.3897(4) 0.112(3) Uani 1 1 d G U . . .
H121 H -0.101776 0.317124 0.355928 0.134 Uiso 1 1 calc R U . . .
C122 C -0.1838(4) 0.3428(3) 0.4155(4) 0.112(3) Uani 1 1 d G U . . .
H122 H -0.225300 0.317659 0.399311 0.135 Uiso 1 1 calc R U . . .
C123 C 0.3561(6) 0.6386(4) 0.8692(5) 0.073(3) Uani 1 1 d . . . . .
H123 H 0.335867 0.660298 0.832718 0.088 Uiso 1 1 calc R U . . .
C124 C 0.5696(5) 0.5164(4) 0.5692(5) 0.065(2) Uani 1 1 d . . . . .
C125 C 0.6504(4) 0.3014(4) 0.7079(4) 0.059(2) Uani 1 1 d . . . . .
H125 H 0.647939 0.262251 0.698993 0.071 Uiso 1 1 calc R U . . .
C126 C 1.1838(6) 0.5042(5) 0.8486(5) 0.079(2) Uani 1 1 d . U . . .
H126 H 1.233857 0.491474 0.836371 0.095 Uiso 1 1 calc R U . . .
C127 C 0.6798(5) 0.5435(4) 0.5079(7) 0.092(4) Uani 1 1 d . . . . .
H127 H 0.730912 0.560715 0.506607 0.110 Uiso 1 1 calc R U . . .
C128 C 0.5624(7) 0.3020(4) 0.4189(6) 0.078(3) Uani 1 1 d . . . . .
H128 H 0.565017 0.277823 0.382937 0.093 Uiso 1 1 calc R U . . .
C129 C -0.1028(5) 0.5362(4) 0.3577(5) 0.063(2) Uani 1 1 d . U . . .
C130 C 0.4401(7) 0.3449(5) 0.3591(6) 0.094(3) Uani 1 1 d . . . . .
H13A H 0.386287 0.339367 0.372814 0.140 Uiso 1 1 calc R U . . .
H13B H 0.450730 0.315601 0.328134 0.140 Uiso 1 1 calc R U . . .
H13C H 0.442833 0.381914 0.338848 0.140 Uiso 1 1 calc R U . . .
C131 C 1.1348(6) 0.5398(5) 0.8073(5) 0.082(2) Uani 1 1 d . U . . .
H131 H 1.152667 0.552269 0.767976 0.098 Uiso 1 1 calc R U . . .
C132 C -0.1693(6) 0.5719(4) 0.3509(6) 0.077(2) Uani 1 1 d . U . . .
H132 H -0.204022 0.572497 0.311774 0.092 Uiso 1 1 calc R U . . .
C133 C 0.7312(7) 0.3841(7) 0.7132(6) 0.099(4) Uani 1 1 d . . . . .
H133 H 0.780666 0.402543 0.708534 0.118 Uiso 1 1 calc R U . . .
C134 C 1.0949(6) 0.5725(6) 1.0837(5) 0.098(3) Uani 1 1 d . U . . .
H13J H 1.111679 0.537789 1.063652 0.146 Uiso 1 1 calc R U . . .
H13K H 1.040157 0.567904 1.095796 0.146 Uiso 1 1 calc R U . . .
H13L H 1.131822 0.580633 1.122333 0.146 Uiso 1 1 calc R U . . .
C135 C 0.6467(5) 0.5403(4) 0.5656(6) 0.094(4) Uani 1 1 d . . . . .
H135 H 0.676119 0.554453 0.603749 0.113 Uiso 1 1 calc R U . . .
C136 C -0.1465(8) 0.4530(5) 0.5417(6) 0.107(4) Uani 1 1 d . U . . .
H13D H -0.168056 0.489254 0.525443 0.161 Uiso 1 1 calc R U . . .
H13E H -0.094582 0.458992 0.567431 0.161 Uiso 1 1 calc R U . . .
H13F H -0.184281 0.435687 0.568658 0.161 Uiso 1 1 calc R U . . .
C137 C 0.7197(5) 0.3300(7) 0.6991(5) 0.097(4) Uani 1 1 d . . . . .
H137 H 0.761791 0.310028 0.681988 0.116 Uiso 1 1 calc R U . . .
C138 C -0.0884(7) 0.4958(5) 0.3041(5) 0.089(3) Uani 1 1 d . U . . .
H13G H -0.030473 0.493180 0.300541 0.133 Uiso 1 1 d R U . . .
H13H H -0.109233 0.458550 0.313671 0.133 Uiso 1 1 d R U . . .
H13I H -0.116083 0.509520 0.263281 0.133 Uiso 1 1 d R U . . .
C139 C 0.4861(7) 0.4235(5) 1.0500(6) 0.092(3) Uani 1 1 d D U . . .
H13M H 0.471168 0.454690 1.076966 0.139 Uiso 1 1 d R U . . .
H13N H 0.544298 0.424279 1.047246 0.139 Uiso 1 1 d R U . . .
H13O H 0.471438 0.387769 1.069016 0.139 Uiso 1 1 d R U . . .
C140 C 1.0139(7) 0.5957(5) 0.7818(5) 0.092(3) Uani 1 1 d . U . . .
H14D H 0.959366 0.580664 0.772001 0.137 Uiso 1 1 calc R U . . .
H14E H 1.038510 0.600896 0.741585 0.137 Uiso 1 1 calc R U . . .
H14F H 1.011401 0.631968 0.803813 0.137 Uiso 1 1 calc R U . . .
C141 C 0.5371(6) 0.5127(4) 0.6341(5) 0.080(3) Uani 1 1 d . . . . .
H14A H 0.481260 0.526054 0.630107 0.119 Uiso 1 1 calc R U . . .
H14B H 0.569939 0.536066 0.665471 0.119 Uiso 1 1 calc R U . . .
H14C H 0.538946 0.473538 0.648875 0.119 Uiso 1 1 calc R U . . .
O7 O 0.3285(4) 0.5619(3) 0.6379(3) 0.0773(19) Uani 1 1 d . . . . .
H7A H 0.302777 0.538295 0.613896 0.116 Uiso 1 1 calc R U . . .
O6 O 0.4024(5) 0.5154(3) 0.3185(3) 0.086(2) Uani 1 1 d . . . . .
H6 H 0.429313 0.491421 0.300406 0.129 Uiso 1 1 calc R U . . .
C142 C 0.3079(6) 0.5564(5) 0.7002(4) 0.080(3) Uani 1 1 d . . . . .
H14G H 0.251401 0.544994 0.698775 0.120 Uiso 1 1 calc R U . . .
H14H H 0.315644 0.592471 0.722706 0.120 Uiso 1 1 calc R U . . .
H14I H 0.342205 0.527811 0.723152 0.120 Uiso 1 1 calc R U . . .
C143 C 0.4431(9) 0.5672(4) 0.3214(7) 0.107(4) Uani 1 1 d . . . . .
H14J H 0.409406 0.595592 0.297511 0.161 Uiso 1 1 calc R U . . .
H14K H 0.493819 0.563223 0.302107 0.161 Uiso 1 1 calc R U . . .
H14L H 0.454506 0.578926 0.366471 0.161 Uiso 1 1 calc R U . . .
O4 O 0.541430 0.534370 0.144550 0.129 Uani 1 1 d . . . . .
H4A H 0.589210 0.531570 0.130990 0.194 Uiso 1 1 d . U . . .
C1 C 0.5333(10) 0.5867(7) 0.1584(8) 0.148(7) Uani 1 1 d . . . . .
H1C H 0.584183 0.600981 0.180086 0.222 Uiso 1 1 d R U . . .
H1D H 0.519213 0.607721 0.118366 0.222 Uiso 1 1 d R U . . .
H1E H 0.490623 0.591301 0.186776 0.222 Uiso 1 1 d R U . . .
O3 O -0.3242(5) 0.4903(5) 0.1108(4) 0.111(3) Uani 1 1 d . . . . .
H3 H -0.323035 0.475786 0.074128 0.166 Uiso 1 1 calc R U . . .
C144 C -0.2815(12) 0.4565(9) 0.1570(10) 0.202(11) Uani 1 1 d . . . . .
H14M H -0.247828 0.430092 0.135740 0.303 Uiso 1 1 calc R U . . .
H14N H -0.319392 0.435471 0.180626 0.303 Uiso 1 1 calc R U . . .
H14O H -0.247303 0.480119 0.187101 0.303 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 F1 2.155(4) . ?
Dy1 F2 2.248(4) . ?
Dy1 N1 2.582(5) . ?
Dy1 N6 2.633(5) . ?
Dy1 N4 2.632(5) . ?
Dy1 N5 2.734(5) . ?
Dy1 O1 2.323(4) . ?
Dy1 N2 2.653(5) . ?
Dy1 N3 2.634(5) . ?
Dy2 F3 2.178(4) . ?
Dy2 F4 2.153(4) . ?
Dy2 N8 2.719(5) . ?
Dy2 N9 2.663(5) . ?
Dy2 O2 2.396(5) . ?
Dy2 N12 2.628(5) . ?
Dy2 N7 2.597(5) . ?
Dy2 N10 2.619(5) . ?
Dy2 N11 2.658(5) . ?
N1 C4 1.257(7) . ?
N1 C46 1.501(7) . ?
N8 C19 1.483(8) . ?
N8 C23 1.279(9) . ?
N6 C3 1.324(8) . ?
N6 C15 1.349(8) . ?
N9 C42 1.330(8) . ?
N9 C85 1.364(8) . ?
N4 C9 1.268(8) . ?
N4 C45 1.482(7) . ?
O2 H2A 0.9873 . ?
O2 H2B 0.9867 . ?
N5 C10 1.240(9) . ?
N5 C61 1.484(8) . ?
N12 C2 1.356(7) . ?
N12 C21 1.311(8) . ?
O1 H1A 0.8942 . ?
O1 H1B 0.8934 . ?
N2 C62 1.253(8) . ?
N2 C93 1.470(8) . ?
C2 C5 1.466(9) . ?
C2 C38 1.390(9) . ?
C3 C4 1.446(9) . ?
C3 C7 1.406(9) . ?
N3 C28 1.338(8) . ?
N3 C65 1.320(8) . ?
N7 C5 1.269(8) . ?
N7 C29 1.474(8) . ?
N10 C55 1.272(9) . ?
N10 C68 1.506(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C14 1.397(9) . ?
C6 C44 1.359(9) . ?
C6 B2 1.674(9) . ?
C7 H7 0.9500 . ?
C7 C43 1.375(9) . ?
N11 C31 1.283(8) . ?
N11 C82 1.497(7) . ?
C8 H8 0.9500 . ?
C8 C28 1.391(9) . ?
C8 C30 1.382(9) . ?
C9 H9 0.9500 . ?
C9 C28 1.468(8) . ?
C10 H10 0.9500 . ?
C10 C15 1.469(9) . ?
C11 H11 0.9500 . ?
C11 C30 1.389(10) . ?
C11 C65 1.430(8) . ?
C12 C48 1.419(9) . ?
C12 B2 1.615(8) . ?
C12 C80 1.392(9) . ?
C13 H13 0.9500 . ?
C13 C25 1.380(9) . ?
C13 C34 1.390(10) . ?
C14 H14 0.9500 . ?
C14 C53 1.367(9) . ?
C15 C50 1.377(9) . ?
C16 H16 0.9500 . ?
C16 C26 1.388(9) . ?
C16 C75 1.389(10) . ?
C17 H17 0.9500 . ?
C17 C24 1.400(9) . ?
C17 C38 1.369(9) . ?
C18 H18 0.9500 . ?
C18 C32 1.411(8) . ?
C18 C71 1.399(9) . ?
C19 H19 1.0000 . ?
C19 C29 1.530(11) . ?
C19 C102 1.524(8) . ?
C20 H20 0.9500 . ?
C20 C34 1.434(10) . ?
C20 C40 1.352(9) . ?
C21 C24 1.376(9) . ?
C21 C31 1.480(8) . ?
C22 H22 0.9500 . ?
C22 C33 1.360(9) . ?
C22 C76 1.394(10) . ?
C23 H23 0.9500 . ?
C23 C85 1.494(9) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C59 1.402(8) . ?
C26 C35 1.422(9) . ?
C26 B1 1.630(11) . ?
C27 H27 0.9500 . ?
C27 C42 1.398(9) . ?
C27 C67 1.388(10) . ?
C29 H29 1.0000 . ?
C29 C54 1.548(8) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 B2 1.637(9) . ?
C32 C83 1.404(9) . ?
C33 C57 1.421(9) . ?
C33 B1 1.636(10) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C35 C103 1.401(10) . ?
C36 H36 0.9500 . ?
C36 C49 1.384(10) . ?
C36 C70 1.356(13) . ?
C37 C49 1.412(9) . ?
C37 C72 1.383(10) . ?
C37 B1 1.656(9) . ?
C38 H38 0.9500 . ?
C39 C41 1.376(11) . ?
C39 C45 1.511(9) . ?
C39 C96 1.395(12) . ?
C40 H40 0.9500 . ?
C40 C59 1.401(9) . ?
C41 H41 0.9500 . ?
C41 C89 1.419(10) . ?
C42 C55 1.441(9) . ?
C43 H43 0.9500 . ?
C43 C50 1.417(9) . ?
C44 H44 0.9500 . ?
C44 C74 1.438(10) . ?
C45 H45 1.0000 . ?
C45 C61 1.536(11) . ?
C46 H46 1.0000 . ?
C46 C51 1.493(10) . ?
C46 C93 1.518(9) . ?
C47 C63 1.340(12) . ?
C47 C68 1.512(8) . ?
C47 C104 1.413(12) . ?
C48 H48 0.9500 . ?
C48 C78 1.408(11) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C58 1.367(13) . ?
C51 C129 1.454(12) . ?
C52 H52 0.9500 . ?
C52 C54 1.389(10) . ?
C52 C64 1.410(10) . ?
C53 H53 0.9500 . ?
C53 C86 1.442(12) . ?
C54 C66 1.409(11) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C56 C76 1.423(11) . ?
C56 C91 1.330(12) . ?
C57 H57 0.9500 . ?
C57 C91 1.400(10) . ?
C58 H58 0.9500 . ?
C58 C105 1.382(12) . ?
C59 B2 1.643(9) . ?
C60 H60 0.9500 . ?
C60 C67 1.353(10) . ?
C60 C85 1.403(9) . ?
C61 H61 1.0000 . ?
C61 C77 1.522(9) . ?
C62 H62 0.9500 . ?
C62 C65 1.486(9) . ?
C63 H63 0.9500 . ?
C63 C113 1.385(11) . ?
C64 H64 0.9500 . ?
C64 C94 1.388(13) . ?
C66 C116 1.471(12) . ?
C66 C123 1.353(11) . ?
C67 H67 0.9500 . ?
C68 H68 1.0000 . ?
C68 C82 1.549(9) . ?
C69 H69 0.9500 . ?
C69 C78 1.407(14) . ?
C69 C81 1.311(13) . ?
C70 H70 0.9500 . ?
C70 C95 1.369(12) . ?
C71 H71 0.9500 . ?
C71 C87 1.340(10) . ?
C72 H72 0.9500 . ?
C72 C95 1.363(10) . ?
C73 H73 0.9500 . ?
C73 C75 1.401(11) . ?
C73 C103 1.355(12) . ?
C74 H74 0.9500 . ?
C74 C86 1.300(13) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C90 1.404(12) . ?
C77 C124 1.388(13) . ?
C78 H78 0.9500 . ?
C79 B1 1.650(9) . ?
C79 C114 1.409(12) . ?
C79 C125 1.394(10) . ?
C80 H80 0.9500 . ?
C80 C81 1.381(10) . ?
C81 H81 0.9500 . ?
C82 H82 1.0000 . ?
C82 C108 1.518(8) . ?
C83 H83 0.9500 . ?
C83 C84 1.370(10) . ?
C84 H84 0.9500 . ?
C84 C87 1.427(10) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C88 C105 1.390(15) . ?
C88 C132 1.302(15) . ?
C89 H89 0.9500 . ?
C89 C92 1.331(15) . ?
C90 H90 0.9500 . ?
C90 C112 1.376(11) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C92 C128 1.370(16) . ?
C93 H93 1.0000 . ?
C93 C119 1.615(10) . ?
C94 H94 0.9500 . ?
C94 C123 1.366(14) . ?
C95 H95 0.9500 . ?
C96 C128 1.385(12) . ?
C96 C130 1.487(15) . ?
C97 H97 0.9500 . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C98 H98 0.9500 . ?
C98 C99 1.3900 . ?
C99 H99 0.9500 . ?
C99 C100 1.3900 . ?
C100 H100 0.9500 . ?
C100 C101 1.3900 . ?
C101 C102 1.3900 . ?
C101 C139 1.362(12) . ?
C103 H103 0.9500 . ?
C104 C131 1.345(12) . ?
C104 C140 1.470(15) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C106 C107 1.3900 . ?
C106 C111 1.3900 . ?
C107 C108 1.3900 . ?
C107 C134 1.490(14) . ?
C108 C109 1.3900 . ?
C109 H109 0.9500 . ?
C109 C110 1.3900 . ?
C110 H110 0.9500 . ?
C110 C111 1.3900 . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C112 C127 1.390(16) . ?
C113 H113 0.9500 . ?
C113 C126 1.333(14) . ?
C114 H114 0.9500 . ?
C114 C115 1.411(14) . ?
C115 H115 0.9500 . ?
C115 C133 1.367(18) . ?
C116 H11A 0.9800 . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C117 H117 0.9500 . ?
C117 C118 1.3900 . ?
C117 C122 1.3900 . ?
C118 C119 1.3900 . ?
C118 C136 1.433(15) . ?
C119 C120 1.3900 . ?
C120 H120 0.9500 . ?
C120 C121 1.3900 . ?
C121 H121 0.9500 . ?
C121 C122 1.3900 . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 C135 1.416(11) . ?
C124 C141 1.515(14) . ?
C125 H125 0.9500 . ?
C125 C137 1.371(13) . ?
C126 H126 0.9500 . ?
C126 C131 1.405(15) . ?
C127 H127 0.9500 . ?
C127 C135 1.379(16) . ?
C128 H128 0.9500 . ?
C129 C132 1.394(13) . ?
C129 C138 1.513(15) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H131 0.9500 . ?
C132 H132 0.9500 . ?
C133 H133 0.9500 . ?
C133 C137 1.330(19) . ?
C134 H13J 0.9800 . ?
C134 H13K 0.9800 . ?
C134 H13L 0.9800 . ?
C135 H135 0.9500 . ?
C136 H13D 0.9800 . ?
C136 H13E 0.9800 . ?
C136 H13F 0.9800 . ?
C137 H137 0.9500 . ?
C138 H13G 0.9800 . ?
C138 H13H 0.9801 . ?
C138 H13I 0.9802 . ?
C139 H13M 0.9800 . ?
C139 H13N 0.9797 . ?
C139 H13O 0.9802 . ?
C140 H14D 0.9800 . ?
C140 H14E 0.9800 . ?
C140 H14F 0.9800 . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
O7 H7A 0.8400 . ?
O7 C142 1.385(10) . ?
O6 H6 0.8400 . ?
O6 C143 1.406(12) . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C143 H14J 0.9800 . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
O4 H4A 0.8773 . ?
O4 C1 1.287(14) . ?
C1 H1C 0.9803 . ?
C1 H1D 0.9804 . ?
C1 H1E 0.9802 . ?
O3 H3 0.8400 . ?
O3 C144 1.391(16) . ?
C144 H14M 0.9800 . ?
C144 H14N 0.9800 . ?
C144 H14O 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Dy1 F2 144.56(15) . . ?
F1 Dy1 N1 90.24(16) . . ?
F1 Dy1 N6 78.43(15) . . ?
F1 Dy1 N4 99.15(17) . . ?
F1 Dy1 N5 76.42(16) . . ?
F1 Dy1 O1 144.90(16) . . ?
F1 Dy1 N2 76.93(17) . . ?
F1 Dy1 N3 79.43(15) . . ?
F2 Dy1 N1 82.62(17) . . ?
F2 Dy1 N6 126.14(16) . . ?
F2 Dy1 N4 90.39(18) . . ?
F2 Dy1 N5 135.93(16) . . ?
F2 Dy1 O1 70.19(15) . . ?
F2 Dy1 N2 69.06(17) . . ?
F2 Dy1 N3 75.55(16) . . ?
N1 Dy1 N6 61.80(15) . . ?
N1 Dy1 N4 170.53(17) . . ?
N1 Dy1 N5 122.22(16) . . ?
N1 Dy1 N2 61.97(15) . . ?
N1 Dy1 N3 122.55(15) . . ?
N6 Dy1 N5 60.47(16) . . ?
N6 Dy1 N2 117.60(16) . . ?
N6 Dy1 N3 157.47(15) . . ?
N4 Dy1 N6 118.67(15) . . ?
N4 Dy1 N5 59.58(17) . . ?
N4 Dy1 N2 121.33(16) . . ?
N4 Dy1 N3 61.15(15) . . ?
O1 Dy1 N1 90.89(16) . . ?
O1 Dy1 N6 71.34(15) . . ?
O1 Dy1 N4 80.70(17) . . ?
O1 Dy1 N5 73.42(17) . . ?
O1 Dy1 N2 133.15(18) . . ?
O1 Dy1 N3 127.81(15) . . ?
N2 Dy1 N5 153.01(17) . . ?
N3 Dy1 N5 109.92(16) . . ?
N3 Dy1 N2 60.62(15) . . ?
F3 Dy2 N8 74.92(16) . . ?
F3 Dy2 N9 77.72(16) . . ?
F3 Dy2 O2 144.54(16) . . ?
F3 Dy2 N12 82.15(16) . . ?
F3 Dy2 N7 98.63(16) . . ?
F3 Dy2 N10 91.30(17) . . ?
F3 Dy2 N11 75.85(17) . . ?
F4 Dy2 F3 144.20(16) . . ?
F4 Dy2 N8 72.83(16) . . ?
F4 Dy2 N9 73.20(17) . . ?
F4 Dy2 O2 71.16(17) . . ?
F4 Dy2 N12 124.63(16) . . ?
F4 Dy2 N7 78.60(16) . . ?
F4 Dy2 N10 92.51(16) . . ?
F4 Dy2 N11 135.84(16) . . ?
N9 Dy2 N8 60.60(14) . . ?
O2 Dy2 N8 137.43(17) . . ?
O2 Dy2 N9 126.49(17) . . ?
O2 Dy2 N12 72.29(17) . . ?
O2 Dy2 N7 90.61(19) . . ?
O2 Dy2 N10 82.04(18) . . ?
O2 Dy2 N11 70.36(18) . . ?
N12 Dy2 N8 112.35(15) . . ?
N12 Dy2 N9 159.79(16) . . ?
N12 Dy2 N11 60.68(15) . . ?
N7 Dy2 N8 60.42(17) . . ?
N7 Dy2 N9 119.61(17) . . ?
N7 Dy2 N12 61.72(15) . . ?
N7 Dy2 N10 169.96(18) . . ?
N7 Dy2 N11 122.35(16) . . ?
N10 Dy2 N8 121.61(15) . . ?
N10 Dy2 N9 61.05(16) . . ?
N10 Dy2 N12 121.63(16) . . ?
N10 Dy2 N11 61.48(16) . . ?
N11 Dy2 N8 150.66(17) . . ?
N11 Dy2 N9 115.02(16) . . ?
C4 N1 Dy1 120.9(4) . . ?
C4 N1 C46 118.5(5) . . ?
C46 N1 Dy1 120.3(4) . . ?
C19 N8 Dy2 119.9(4) . . ?
C23 N8 Dy2 122.0(5) . . ?
C23 N8 C19 117.3(6) . . ?
C3 N6 Dy1 118.9(4) . . ?
C3 N6 C15 118.1(5) . . ?
C15 N6 Dy1 122.4(4) . . ?
C42 N9 Dy2 120.6(4) . . ?
C42 N9 C85 117.1(5) . . ?
C85 N9 Dy2 122.2(4) . . ?
C9 N4 Dy1 121.5(4) . . ?
C9 N4 C45 119.9(5) . . ?
C45 N4 Dy1 117.8(4) . . ?
Dy2 O2 H2A 127.7 . . ?
Dy2 O2 H2B 128.2 . . ?
H2A O2 H2B 104.1 . . ?
C10 N5 Dy1 120.0(4) . . ?
C10 N5 C61 120.5(5) . . ?
C61 N5 Dy1 119.0(4) . . ?
C2 N12 Dy2 120.3(4) . . ?
C21 N12 Dy2 122.9(4) . . ?
C21 N12 C2 116.7(5) . . ?
Dy1 O1 H1A 110.2 . . ?
Dy1 O1 H1B 110.8 . . ?
H1A O1 H1B 103.3 . . ?
C62 N2 Dy1 121.8(4) . . ?
C62 N2 C93 115.4(5) . . ?
C93 N2 Dy1 122.7(4) . . ?
N12 C2 C5 115.7(5) . . ?
N12 C2 C38 122.4(6) . . ?
C38 C2 C5 121.8(6) . . ?
N6 C3 C4 116.2(5) . . ?
N6 C3 C7 123.0(6) . . ?
C7 C3 C4 120.8(6) . . ?
C28 N3 Dy1 121.9(4) . . ?
C65 N3 Dy1 121.5(4) . . ?
C65 N3 C28 116.5(5) . . ?
C5 N7 Dy2 122.8(4) . . ?
C5 N7 C29 121.1(5) . . ?
C29 N7 Dy2 115.8(4) . . ?
C55 N10 Dy2 121.0(4) . . ?
C55 N10 C68 121.0(5) . . ?
C68 N10 Dy2 117.9(4) . . ?
N1 C4 C3 120.9(6) . . ?
N1 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C2 C5 H5 120.3 . . ?
N7 C5 C2 119.4(5) . . ?
N7 C5 H5 120.3 . . ?
C14 C6 B2 120.8(6) . . ?
C44 C6 C14 116.1(6) . . ?
C44 C6 B2 122.6(6) . . ?
C3 C7 H7 121.1 . . ?
C43 C7 C3 117.7(6) . . ?
C43 C7 H7 121.1 . . ?
C31 N11 Dy2 121.8(4) . . ?
C31 N11 C82 116.0(5) . . ?
C82 N11 Dy2 122.3(4) . . ?
C28 C8 H8 120.9 . . ?
C30 C8 H8 120.9 . . ?
C30 C8 C28 118.1(6) . . ?
N4 C9 H9 119.8 . . ?
N4 C9 C28 120.5(6) . . ?
C28 C9 H9 119.8 . . ?
N5 C10 H10 119.5 . . ?
N5 C10 C15 121.0(6) . . ?
C15 C10 H10 119.5 . . ?
C30 C11 H11 120.9 . . ?
C30 C11 C65 118.1(5) . . ?
C65 C11 H11 120.9 . . ?
C48 C12 B2 122.2(6) . . ?
C80 C12 C48 113.5(6) . . ?
C80 C12 B2 123.3(6) . . ?
C25 C13 H13 119.7 . . ?
C25 C13 C34 120.6(6) . . ?
C34 C13 H13 119.7 . . ?
C6 C14 H14 117.7 . . ?
C53 C14 C6 124.5(7) . . ?
C53 C14 H14 117.7 . . ?
N6 C15 C10 116.1(6) . . ?
N6 C15 C50 124.5(6) . . ?
C50 C15 C10 119.0(6) . . ?
C26 C16 H16 118.3 . . ?
C26 C16 C75 123.5(6) . . ?
C75 C16 H16 118.3 . . ?
C24 C17 H17 120.6 . . ?
C38 C17 H17 120.6 . . ?
C38 C17 C24 118.7(6) . . ?
C32 C18 H18 118.7 . . ?
C71 C18 H18 118.7 . . ?
C71 C18 C32 122.6(6) . . ?
N8 C19 H19 108.5 . . ?
N8 C19 C29 103.1(5) . . ?
N8 C19 C102 116.3(5) . . ?
C29 C19 H19 108.5 . . ?
C102 C19 H19 108.5 . . ?
C102 C19 C29 111.7(6) . . ?
C34 C20 H20 120.3 . . ?
C40 C20 H20 120.3 . . ?
C40 C20 C34 119.3(6) . . ?
N12 C21 C24 125.4(6) . . ?
N12 C21 C31 116.3(6) . . ?
C24 C21 C31 118.2(6) . . ?
C33 C22 H22 117.9 . . ?
C33 C22 C76 124.2(6) . . ?
C76 C22 H22 117.9 . . ?
N8 C23 H23 120.6 . . ?
N8 C23 C85 118.8(6) . . ?
C85 C23 H23 120.6 . . ?
C17 C24 H24 121.3 . . ?
C21 C24 C17 117.4(6) . . ?
C21 C24 H24 121.3 . . ?
C13 C25 H25 118.6 . . ?
C13 C25 C59 122.8(6) . . ?
C59 C25 H25 118.6 . . ?
C16 C26 C35 115.5(6) . . ?
C16 C26 B1 123.5(6) . . ?
C35 C26 B1 120.5(6) . . ?
C42 C27 H27 120.5 . . ?
C67 C27 H27 120.5 . . ?
C67 C27 C42 119.0(6) . . ?
N3 C28 C8 125.1(6) . . ?
N3 C28 C9 115.0(5) . . ?
C8 C28 C9 120.0(6) . . ?
N7 C29 C19 105.3(5) . . ?
N7 C29 H29 106.8 . . ?
N7 C29 C54 115.0(5) . . ?
C19 C29 H29 106.8 . . ?
C19 C29 C54 115.5(5) . . ?
C54 C29 H29 106.8 . . ?
C8 C30 C11 118.7(6) . . ?
C8 C30 H30 120.7 . . ?
C11 C30 H30 120.7 . . ?
N11 C31 C21 118.3(5) . . ?
N11 C31 H31 120.8 . . ?
C21 C31 H31 120.8 . . ?
C18 C32 B2 123.5(5) . . ?
C83 C32 C18 113.5(6) . . ?
C83 C32 B2 122.5(5) . . ?
C22 C33 C57 116.1(6) . . ?
C22 C33 B1 122.5(6) . . ?
C57 C33 B1 120.7(6) . . ?
C13 C34 C20 117.9(6) . . ?
C13 C34 H34 121.1 . . ?
C20 C34 H34 121.1 . . ?
C26 C35 H35 119.8 . . ?
C103 C35 C26 120.3(7) . . ?
C103 C35 H35 119.8 . . ?
C49 C36 H36 120.3 . . ?
C70 C36 H36 120.3 . . ?
C70 C36 C49 119.4(8) . . ?
C49 C37 B1 122.3(6) . . ?
C72 C37 C49 115.2(6) . . ?
C72 C37 B1 122.0(6) . . ?
C2 C38 H38 120.4 . . ?
C17 C38 C2 119.2(6) . . ?
C17 C38 H38 120.4 . . ?
C41 C39 C45 122.1(7) . . ?
C41 C39 C96 119.1(7) . . ?
C96 C39 C45 118.8(7) . . ?
C20 C40 H40 117.9 . . ?
C20 C40 C59 124.2(6) . . ?
C59 C40 H40 117.9 . . ?
C39 C41 H41 119.6 . . ?
C39 C41 C89 120.8(8) . . ?
C89 C41 H41 119.6 . . ?
N9 C42 C27 123.3(6) . . ?
N9 C42 C55 115.4(6) . . ?
C27 C42 C55 121.3(6) . . ?
C7 C43 H43 119.7 . . ?
C7 C43 C50 120.7(6) . . ?
C50 C43 H43 119.7 . . ?
C6 C44 H44 119.0 . . ?
C6 C44 C74 122.0(7) . . ?
C74 C44 H44 119.0 . . ?
N4 C45 C39 114.9(5) . . ?
N4 C45 H45 107.8 . . ?
N4 C45 C61 102.0(5) . . ?
C39 C45 H45 107.8 . . ?
C39 C45 C61 116.1(6) . . ?
C61 C45 H45 107.8 . . ?
N1 C46 H46 106.5 . . ?
N1 C46 C93 109.7(5) . . ?
C51 C46 N1 116.0(5) . . ?
C51 C46 H46 106.5 . . ?
C51 C46 C93 111.0(6) . . ?
C93 C46 H46 106.5 . . ?
C63 C47 C68 122.8(7) . . ?
C63 C47 C104 116.7(7) . . ?
C104 C47 C68 120.5(8) . . ?
C12 C48 H48 119.3 . . ?
C78 C48 C12 121.5(8) . . ?
C78 C48 H48 119.3 . . ?
C36 C49 C37 122.2(7) . . ?
C36 C49 H49 118.9 . . ?
C37 C49 H49 118.9 . . ?
C15 C50 C43 116.1(6) . . ?
C15 C50 H50 122.0 . . ?
C43 C50 H50 122.0 . . ?
C58 C51 C46 122.7(8) . . ?
C58 C51 C129 117.6(8) . . ?
C129 C51 C46 119.6(8) . . ?
C54 C52 H52 120.3 . . ?
C54 C52 C64 119.4(7) . . ?
C64 C52 H52 120.3 . . ?
C14 C53 H53 122.1 . . ?
C14 C53 C86 115.9(7) . . ?
C86 C53 H53 122.1 . . ?
C52 C54 C29 119.9(6) . . ?
C52 C54 C66 121.3(6) . . ?
C66 C54 C29 118.7(6) . . ?
N10 C55 C42 121.8(5) . . ?
N10 C55 H55 119.1 . . ?
C42 C55 H55 119.1 . . ?
C76 C56 H56 121.2 . . ?
C91 C56 H56 121.2 . . ?
C91 C56 C76 117.6(7) . . ?
C33 C57 H57 120.3 . . ?
C91 C57 C33 119.5(7) . . ?
C91 C57 H57 120.3 . . ?
C51 C58 H58 118.1 . . ?
C51 C58 C105 123.8(9) . . ?
C105 C58 H58 118.1 . . ?
C25 C59 B2 123.1(5) . . ?
C40 C59 C25 115.2(6) . . ?
C40 C59 B2 121.1(5) . . ?
C67 C60 H60 120.1 . . ?
C67 C60 C85 119.8(7) . . ?
C85 C60 H60 120.1 . . ?
N5 C61 C45 104.4(5) . . ?
N5 C61 H61 107.5 . . ?
N5 C61 C77 114.9(6) . . ?
C45 C61 H61 107.5 . . ?
C77 C61 C45 114.7(6) . . ?
C77 C61 H61 107.5 . . ?
N2 C62 H62 120.6 . . ?
N2 C62 C65 118.8(5) . . ?
C65 C62 H62 120.6 . . ?
C47 C63 H63 118.2 . . ?
C47 C63 C113 123.5(9) . . ?
C113 C63 H63 118.2 . . ?
C52 C64 H64 120.8 . . ?
C94 C64 C52 118.3(8) . . ?
C94 C64 H64 120.8 . . ?
N3 C65 C11 123.4(6) . . ?
N3 C65 C62 115.9(5) . . ?
C11 C65 C62 120.4(5) . . ?
C54 C66 C116 120.9(7) . . ?
C123 C66 C54 117.0(8) . . ?
C123 C66 C116 122.1(9) . . ?
C27 C67 H67 120.6 . . ?
C60 C67 C27 118.7(6) . . ?
C60 C67 H67 120.6 . . ?
N10 C68 C47 115.6(6) . . ?
N10 C68 H68 107.9 . . ?
N10 C68 C82 106.4(5) . . ?
C47 C68 H68 107.9 . . ?
C47 C68 C82 111.0(6) . . ?
C82 C68 H68 107.9 . . ?
C78 C69 H69 120.3 . . ?
C81 C69 H69 120.3 . . ?
C81 C69 C78 119.4(8) . . ?
C36 C70 H70 119.9 . . ?
C36 C70 C95 120.1(7) . . ?
C95 C70 H70 119.9 . . ?
C18 C71 H71 119.2 . . ?
C87 C71 C18 121.6(6) . . ?
C87 C71 H71 119.2 . . ?
C37 C72 H72 118.7 . . ?
C95 C72 C37 122.7(7) . . ?
C95 C72 H72 118.7 . . ?
C75 C73 H73 121.0 . . ?
C103 C73 H73 121.0 . . ?
C103 C73 C75 117.9(7) . . ?
C44 C74 H74 120.4 . . ?
C86 C74 C44 119.2(8) . . ?
C86 C74 H74 120.4 . . ?
C16 C75 C73 119.9(7) . . ?
C16 C75 H75 120.0 . . ?
C73 C75 H75 120.0 . . ?
C22 C76 C56 118.7(7) . . ?
C22 C76 H76 120.6 . . ?
C56 C76 H76 120.6 . . ?
C90 C77 C61 119.9(8) . . ?
C124 C77 C61 119.4(7) . . ?
C124 C77 C90 120.6(7) . . ?
C48 C78 H78 120.1 . . ?
C69 C78 C48 119.8(8) . . ?
C69 C78 H78 120.1 . . ?
C12 B2 C6 112.0(5) . . ?
C12 B2 C32 114.7(5) . . ?
C12 B2 C59 103.5(5) . . ?
C32 B2 C6 101.9(5) . . ?
C32 B2 C59 112.5(5) . . ?
C59 B2 C6 112.6(5) . . ?
C114 C79 B1 123.8(7) . . ?
C125 C79 B1 121.6(7) . . ?
C125 C79 C114 114.3(7) . . ?
C12 C80 H80 117.6 . . ?
C81 C80 C12 124.8(8) . . ?
C81 C80 H80 117.6 . . ?
C69 C81 C80 120.8(9) . . ?
C69 C81 H81 119.6 . . ?
C80 C81 H81 119.6 . . ?
N11 C82 C68 105.3(5) . . ?
N11 C82 H82 107.4 . . ?
N11 C82 C108 116.9(5) . . ?
C68 C82 H82 107.4 . . ?
C108 C82 C68 111.9(5) . . ?
C108 C82 H82 107.4 . . ?
C32 C83 H83 117.5 . . ?
C84 C83 C32 125.0(6) . . ?
C84 C83 H83 117.5 . . ?
C83 C84 H84 120.6 . . ?
C83 C84 C87 118.7(7) . . ?
C87 C84 H84 120.6 . . ?
N9 C85 C23 116.3(6) . . ?
N9 C85 C60 122.2(6) . . ?
C60 C85 C23 121.5(6) . . ?
C53 C86 H86 118.9 . . ?
C74 C86 C53 122.3(7) . . ?
C74 C86 H86 118.9 . . ?
C71 C87 C84 118.6(6) . . ?
C71 C87 H87 120.7 . . ?
C84 C87 H87 120.7 . . ?
C105 C88 H88 117.0 . . ?
C132 C88 H88 117.0 . . ?
C132 C88 C105 126.0(10) . . ?
C41 C89 H89 120.1 . . ?
C92 C89 C41 119.7(9) . . ?
C92 C89 H89 120.1 . . ?
C77 C90 H90 119.4 . . ?
C112 C90 C77 121.2(10) . . ?
C112 C90 H90 119.4 . . ?
C56 C91 C57 123.9(7) . . ?
C56 C91 H91 118.0 . . ?
C57 C91 H91 118.0 . . ?
C89 C92 H92 120.2 . . ?
C89 C92 C128 119.5(8) . . ?
C128 C92 H92 120.2 . . ?
N2 C93 C46 111.2(5) . . ?
N2 C93 H93 108.9 . . ?
N2 C93 C119 111.9(7) . . ?
C46 C93 H93 108.9 . . ?
C46 C93 C119 106.8(6) . . ?
C119 C93 H93 108.9 . . ?
C64 C94 H94 119.9 . . ?
C123 C94 C64 120.2(8) . . ?
C123 C94 H94 119.9 . . ?
C70 C95 H95 119.8 . . ?
C72 C95 C70 120.4(7) . . ?
C72 C95 H95 119.8 . . ?
C39 C96 C130 121.6(8) . . ?
C128 C96 C39 117.8(10) . . ?
C128 C96 C130 120.5(9) . . ?
C98 C97 H97 120.0 . . ?
C98 C97 C102 120.0 . . ?
C102 C97 H97 120.0 . . ?
C97 C98 H98 120.0 . . ?
C99 C98 C97 120.0 . . ?
C99 C98 H98 120.0 . . ?
C98 C99 H99 120.0 . . ?
C100 C99 C98 120.0 . . ?
C100 C99 H99 120.0 . . ?
C99 C100 H100 120.0 . . ?
C101 C100 C99 120.0 . . ?
C101 C100 H100 120.0 . . ?
C100 C101 C102 120.0 . . ?
C139 C101 C100 119.7(7) . . ?
C139 C101 C102 119.8(7) . . ?
C97 C102 C19 118.9(5) . . ?
C101 C102 C19 121.0(5) . . ?
C101 C102 C97 120.0 . . ?
C35 C103 H103 118.6 . . ?
C73 C103 C35 122.7(8) . . ?
C73 C103 H103 118.6 . . ?
C26 B1 C33 114.0(6) . . ?
C26 B1 C37 111.7(5) . . ?
C26 B1 C79 103.6(6) . . ?
C33 B1 C37 102.4(5) . . ?
C33 B1 C79 111.9(6) . . ?
C79 B1 C37 113.6(6) . . ?
C47 C104 C140 119.6(8) . . ?
C131 C104 C47 120.9(10) . . ?
C131 C104 C140 119.2(9) . . ?
C58 C105 C88 114.6(10) . . ?
C58 C105 H105 122.7 . . ?
C88 C105 H105 122.7 . . ?
C107 C106 H106 120.0 . . ?
C107 C106 C111 120.0 . . ?
C111 C106 H106 120.0 . . ?
C106 C107 C134 118.7(6) . . ?
C108 C107 C106 120.0 . . ?
C108 C107 C134 121.3(6) . . ?
C107 C108 C82 121.3(5) . . ?
C107 C108 C109 120.0 . . ?
C109 C108 C82 118.7(5) . . ?
C108 C109 H109 120.0 . . ?
C110 C109 C108 120.0 . . ?
C110 C109 H109 120.0 . . ?
C109 C110 H110 120.0 . . ?
C109 C110 C111 120.0 . . ?
C111 C110 H110 120.0 . . ?
C106 C111 H111 120.0 . . ?
C110 C111 C106 120.0 . . ?
C110 C111 H111 120.0 . . ?
C90 C112 H112 120.7 . . ?
C90 C112 C127 118.7(10) . . ?
C127 C112 H112 120.7 . . ?
C63 C113 H113 120.6 . . ?
C126 C113 C63 118.9(10) . . ?
C126 C113 H113 120.6 . . ?
C79 C114 H114 119.9 . . ?
C79 C114 C115 120.1(11) . . ?
C115 C114 H114 119.9 . . ?
C114 C115 H115 118.5 . . ?
C133 C115 C114 123.0(11) . . ?
C133 C115 H115 118.5 . . ?
C66 C116 H11A 109.5 . . ?
C66 C116 H11B 109.5 . . ?
C66 C116 H11C 109.5 . . ?
H11A C116 H11B 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C118 C117 H117 120.0 . . ?
C118 C117 C122 120.0 . . ?
C122 C117 H117 120.0 . . ?
C117 C118 C136 120.4(7) . . ?
C119 C118 C117 120.0 . . ?
C119 C118 C136 119.5(7) . . ?
C118 C119 C93 122.6(6) . . ?
C118 C119 C120 120.0 . . ?
C120 C119 C93 117.4(6) . . ?
C119 C120 H120 120.0 . . ?
C121 C120 C119 120.0 . . ?
C121 C120 H120 120.0 . . ?
C120 C121 H121 120.0 . . ?
C122 C121 C120 120.0 . . ?
C122 C121 H121 120.0 . . ?
C117 C122 H122 120.0 . . ?
C121 C122 C117 120.0 . . ?
C121 C122 H122 120.0 . . ?
C66 C123 C94 123.6(10) . . ?
C66 C123 H123 118.2 . . ?
C94 C123 H123 118.2 . . ?
C77 C124 C135 117.4(9) . . ?
C77 C124 C141 123.5(7) . . ?
C135 C124 C141 119.1(10) . . ?
C79 C125 H125 118.6 . . ?
C137 C125 C79 122.8(10) . . ?
C137 C125 H125 118.6 . . ?
C113 C126 H126 119.9 . . ?
C113 C126 C131 120.1(9) . . ?
C131 C126 H126 119.9 . . ?
C112 C127 H127 119.7 . . ?
C135 C127 C112 120.7(8) . . ?
C135 C127 H127 119.7 . . ?
C92 C128 C96 123.0(10) . . ?
C92 C128 H128 118.5 . . ?
C96 C128 H128 118.5 . . ?
C51 C129 C138 122.0(8) . . ?
C132 C129 C51 118.0(10) . . ?
C132 C129 C138 120.0(9) . . ?
C96 C130 H13A 109.5 . . ?
C96 C130 H13B 109.5 . . ?
C96 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C104 C131 C126 119.8(10) . . ?
C104 C131 H131 120.1 . . ?
C126 C131 H131 120.1 . . ?
C88 C132 C129 119.7(10) . . ?
C88 C132 H132 120.2 . . ?
C129 C132 H132 120.2 . . ?
C115 C133 H133 122.0 . . ?
C137 C133 C115 116.0(10) . . ?
C137 C133 H133 122.0 . . ?
C107 C134 H13J 109.5 . . ?
C107 C134 H13K 109.5 . . ?
C107 C134 H13L 109.5 . . ?
H13J C134 H13K 109.5 . . ?
H13J C134 H13L 109.5 . . ?
H13K C134 H13L 109.5 . . ?
C124 C135 H135 119.4 . . ?
C127 C135 C124 121.3(11) . . ?
C127 C135 H135 119.4 . . ?
C118 C136 H13D 109.5 . . ?
C118 C136 H13E 109.5 . . ?
C118 C136 H13F 109.5 . . ?
H13D C136 H13E 109.5 . . ?
H13D C136 H13F 109.5 . . ?
H13E C136 H13F 109.5 . . ?
C125 C137 H137 118.2 . . ?
C133 C137 C125 123.7(12) . . ?
C133 C137 H137 118.2 . . ?
C129 C138 H13G 109.4 . . ?
C129 C138 H13H 109.6 . . ?
C129 C138 H13I 109.4 . . ?
H13G C138 H13H 109.5 . . ?
H13G C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
C101 C139 H13M 109.6 . . ?
C101 C139 H13N 109.5 . . ?
C101 C139 H13O 109.4 . . ?
H13M C139 H13N 109.5 . . ?
H13M C139 H13O 109.5 . . ?
H13N C139 H13O 109.4 . . ?
C104 C140 H14D 109.5 . . ?
C104 C140 H14E 109.5 . . ?
C104 C140 H14F 109.5 . . ?
H14D C140 H14E 109.5 . . ?
H14D C140 H14F 109.5 . . ?
H14E C140 H14F 109.5 . . ?
C124 C141 H14A 109.5 . . ?
C124 C141 H14B 109.5 . . ?
C124 C141 H14C 109.5 . . ?
H14A C141 H14B 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C142 O7 H7A 109.5 . . ?
C143 O6 H6 109.5 . . ?
O7 C142 H14G 109.5 . . ?
O7 C142 H14H 109.5 . . ?
O7 C142 H14I 109.5 . . ?
H14G C142 H14H 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
O6 C143 H14J 109.5 . . ?
O6 C143 H14K 109.5 . . ?
O6 C143 H14L 109.5 . . ?
H14J C143 H14K 109.5 . . ?
H14J C143 H14L 109.5 . . ?
H14K C143 H14L 109.5 . . ?
C1 O4 H4A 105.5 . . ?
O4 C1 H1C 109.4 . . ?
O4 C1 H1D 108.9 . . ?
O4 C1 H1E 110.2 . . ?
H1C C1 H1D 109.4 . . ?
H1C C1 H1E 109.4 . . ?
H1D C1 H1E 109.4 . . ?
C144 O3 H3 109.5 . . ?
O3 C144 H14M 109.5 . . ?
O3 C144 H14N 109.5 . . ?
O3 C144 H14O 109.5 . . ?
H14M C144 H14N 109.5 . . ?
H14M C144 H14O 109.5 . . ?
H14N C144 H14O 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 N1 C4 C3 -7.3(8) . . . . ?
Dy1 N1 C46 C51 170.7(5) . . . . ?
Dy1 N1 C46 C93 44.0(8) . . . . ?
Dy1 N6 C3 C4 10.9(7) . . . . ?
Dy1 N6 C3 C7 -171.4(5) . . . . ?
Dy1 N6 C15 C10 -1.3(8) . . . . ?
Dy1 N6 C15 C50 171.1(5) . . . . ?
Dy1 N4 C9 C28 0.1(9) . . . . ?
Dy1 N4 C45 C39 -171.1(5) . . . . ?
Dy1 N4 C45 C61 62.4(6) . . . . ?
Dy1 N5 C10 C15 2.9(9) . . . . ?
Dy1 N5 C61 C45 41.2(6) . . . . ?
Dy1 N5 C61 C77 167.7(5) . . . . ?
Dy1 N2 C62 C65 -8.8(9) . . . . ?
Dy1 N2 C93 C46 15.8(10) . . . . ?
Dy1 N2 C93 C119 135.2(5) . . . . ?
Dy1 N3 C28 C8 175.9(5) . . . . ?
Dy1 N3 C28 C9 -1.9(7) . . . . ?
Dy1 N3 C65 C11 -176.1(5) . . . . ?
Dy1 N3 C65 C62 9.7(7) . . . . ?
Dy2 N8 C19 C29 36.3(6) . . . . ?
Dy2 N8 C19 C102 158.9(5) . . . . ?
Dy2 N8 C23 C85 2.7(9) . . . . ?
Dy2 N9 C42 C27 -175.7(5) . . . . ?
Dy2 N9 C42 C55 3.8(8) . . . . ?
Dy2 N9 C85 C23 -1.1(8) . . . . ?
Dy2 N9 C85 C60 176.5(5) . . . . ?
Dy2 N12 C2 C5 1.0(8) . . . . ?
Dy2 N12 C2 C38 179.8(5) . . . . ?
Dy2 N12 C21 C24 178.5(5) . . . . ?
Dy2 N12 C21 C31 0.5(8) . . . . ?
Dy2 N7 C5 C2 1.6(9) . . . . ?
Dy2 N7 C29 C19 63.4(5) . . . . ?
Dy2 N7 C29 C54 -168.2(4) . . . . ?
Dy2 N10 C55 C42 -3.0(9) . . . . ?
Dy2 N10 C68 C47 177.5(5) . . . . ?
Dy2 N10 C68 C82 53.8(6) . . . . ?
Dy2 N11 C31 C21 -1.2(8) . . . . ?
Dy2 N11 C82 C68 34.8(7) . . . . ?
Dy2 N11 C82 C108 159.8(4) . . . . ?
N1 C46 C51 C58 -66.3(9) . . . . ?
N1 C46 C51 C129 116.9(7) . . . . ?
N1 C46 C93 N2 -35.8(10) . . . . ?
N1 C46 C93 C119 -158.2(6) . . . . ?
N8 C19 C29 N7 -60.4(6) . . . . ?
N8 C19 C29 C54 171.5(5) . . . . ?
N8 C19 C102 C97 -81.1(7) . . . . ?
N8 C19 C102 C101 102.5(6) . . . . ?
N8 C23 C85 N9 -1.0(10) . . . . ?
N8 C23 C85 C60 -178.7(7) . . . . ?
N6 C3 C4 N1 -2.6(9) . . . . ?
N6 C3 C7 C43 -0.2(10) . . . . ?
N6 C15 C50 C43 0.2(11) . . . . ?
N9 C42 C55 N10 -0.6(10) . . . . ?
N4 C9 C28 N3 1.2(10) . . . . ?
N4 C9 C28 C8 -176.7(7) . . . . ?
N4 C45 C61 N5 -62.1(6) . . . . ?
N4 C45 C61 C77 171.3(6) . . . . ?
N5 C10 C15 N6 -1.2(10) . . . . ?
N5 C10 C15 C50 -174.0(7) . . . . ?
N5 C61 C77 C90 -84.0(9) . . . . ?
N5 C61 C77 C124 97.0(8) . . . . ?
N12 C2 C5 N7 -1.7(10) . . . . ?
N12 C2 C38 C17 2.9(11) . . . . ?
N12 C21 C24 C17 0.5(10) . . . . ?
N12 C21 C31 N11 0.5(9) . . . . ?
N2 C62 C65 N3 -0.5(9) . . . . ?
N2 C62 C65 C11 -174.9(6) . . . . ?
N2 C93 C119 C118 125.1(6) . . . . ?
N2 C93 C119 C120 -57.7(7) . . . . ?
C2 N12 C21 C24 0.3(10) . . . . ?
C2 N12 C21 C31 -177.7(6) . . . . ?
C3 N6 C15 C10 -172.2(6) . . . . ?
C3 N6 C15 C50 0.2(10) . . . . ?
C3 C7 C43 C50 0.6(10) . . . . ?
N7 C29 C54 C52 -91.2(8) . . . . ?
N7 C29 C54 C66 88.3(7) . . . . ?
N10 C68 C82 N11 -53.1(7) . . . . ?
N10 C68 C82 C108 178.9(5) . . . . ?
C4 N1 C46 C51 -15.5(9) . . . . ?
C4 N1 C46 C93 -142.3(7) . . . . ?
C4 C3 C7 C43 177.4(6) . . . . ?
C5 C2 C38 C17 -178.5(7) . . . . ?
C5 N7 C29 C19 -110.2(7) . . . . ?
C5 N7 C29 C54 18.2(9) . . . . ?
C6 C14 C53 C86 -0.4(10) . . . . ?
C6 C44 C74 C86 -1.8(11) . . . . ?
C7 C3 C4 N1 179.6(6) . . . . ?
C7 C43 C50 C15 -0.6(10) . . . . ?
N11 C82 C108 C107 108.5(6) . . . . ?
N11 C82 C108 C109 -71.4(7) . . . . ?
C9 N4 C45 C39 18.5(10) . . . . ?
C9 N4 C45 C61 -108.0(7) . . . . ?
C10 N5 C61 C45 -130.9(6) . . . . ?
C10 N5 C61 C77 -4.4(10) . . . . ?
C10 C15 C50 C43 172.4(6) . . . . ?
C12 C48 C78 C69 -0.5(12) . . . . ?
C12 C80 C81 C69 1.4(12) . . . . ?
C13 C25 C59 C40 -1.2(8) . . . . ?
C13 C25 C59 B2 169.5(5) . . . . ?
C14 C6 C44 C74 -1.0(9) . . . . ?
C14 C6 B2 C12 159.3(6) . . . . ?
C14 C6 B2 C32 -77.6(6) . . . . ?
C14 C6 B2 C59 43.2(8) . . . . ?
C14 C53 C86 C74 -2.6(12) . . . . ?
C15 N6 C3 C4 -178.0(6) . . . . ?
C15 N6 C3 C7 -0.2(9) . . . . ?
C16 C26 C35 C103 -2.5(10) . . . . ?
C16 C26 B1 C33 -149.8(6) . . . . ?
C16 C26 B1 C37 -34.3(9) . . . . ?
C16 C26 B1 C79 88.4(7) . . . . ?
C18 C32 B2 C6 -87.9(6) . . . . ?
C18 C32 B2 C12 33.3(8) . . . . ?
C18 C32 B2 C59 151.2(5) . . . . ?
C18 C32 C83 C84 1.8(9) . . . . ?
C18 C71 C87 C84 0.0(10) . . . . ?
C19 N8 C23 C85 172.3(6) . . . . ?
C19 C29 C54 C52 31.9(8) . . . . ?
C19 C29 C54 C66 -148.6(6) . . . . ?
C20 C40 C59 C25 2.2(9) . . . . ?
C20 C40 C59 B2 -168.6(6) . . . . ?
C21 N12 C2 C5 179.2(6) . . . . ?
C21 N12 C2 C38 -2.0(10) . . . . ?
C22 C33 C57 C91 -1.5(9) . . . . ?
C22 C33 B1 C26 -150.9(6) . . . . ?
C22 C33 B1 C37 88.3(7) . . . . ?
C22 C33 B1 C79 -33.8(9) . . . . ?
C23 N8 C19 C29 -133.6(6) . . . . ?
C23 N8 C19 C102 -11.0(10) . . . . ?
C24 C17 C38 C2 -1.9(10) . . . . ?
C24 C21 C31 N11 -177.7(6) . . . . ?
C25 C13 C34 C20 0.0(9) . . . . ?
C25 C59 B2 C6 35.6(7) . . . . ?
C25 C59 B2 C12 -85.4(6) . . . . ?
C25 C59 B2 C32 150.2(5) . . . . ?
C26 C16 C75 C73 0.2(10) . . . . ?
C26 C35 C103 C73 3.4(13) . . . . ?
C27 C42 C55 N10 178.9(7) . . . . ?
C28 N3 C65 C11 0.6(9) . . . . ?
C28 N3 C65 C62 -173.6(6) . . . . ?
C28 C8 C30 C11 3.7(11) . . . . ?
C29 N7 C5 C2 174.7(6) . . . . ?
C29 C19 C102 C97 36.8(7) . . . . ?
C29 C19 C102 C101 -139.6(5) . . . . ?
C29 C54 C66 C116 -2.9(10) . . . . ?
C29 C54 C66 C123 176.8(7) . . . . ?
C30 C8 C28 N3 -1.4(11) . . . . ?
C30 C8 C28 C9 176.3(7) . . . . ?
C30 C11 C65 N3 1.8(10) . . . . ?
C30 C11 C65 C62 175.7(6) . . . . ?
C31 N11 C82 C68 -144.6(6) . . . . ?
C31 N11 C82 C108 -19.7(9) . . . . ?
C31 C21 C24 C17 178.5(6) . . . . ?
C32 C18 C71 C87 0.7(10) . . . . ?
C32 C83 C84 C87 -1.3(11) . . . . ?
C33 C22 C76 C56 -0.4(10) . . . . ?
C33 C57 C91 C56 2.1(12) . . . . ?
C34 C13 C25 C59 0.1(9) . . . . ?
C34 C20 C40 C59 -2.1(10) . . . . ?
C35 C26 B1 C33 38.4(8) . . . . ?
C35 C26 B1 C37 153.9(6) . . . . ?
C35 C26 B1 C79 -83.4(7) . . . . ?
C36 C70 C95 C72 0.0(12) . . . . ?
C37 C72 C95 C70 0.6(12) . . . . ?
C38 C2 C5 N7 179.5(7) . . . . ?
C38 C17 C24 C21 0.4(10) . . . . ?
C39 C41 C89 C92 1.0(11) . . . . ?
C39 C45 C61 N5 172.2(5) . . . . ?
C39 C45 C61 C77 45.6(8) . . . . ?
C39 C96 C128 C92 -1.7(13) . . . . ?
C40 C20 C34 C13 0.9(10) . . . . ?
C40 C59 B2 C6 -154.3(5) . . . . ?
C40 C59 B2 C12 84.7(6) . . . . ?
C40 C59 B2 C32 -39.7(7) . . . . ?
C41 C39 C45 N4 -94.2(8) . . . . ?
C41 C39 C45 C61 24.7(8) . . . . ?
C41 C39 C96 C128 0.6(11) . . . . ?
C41 C39 C96 C130 177.2(8) . . . . ?
C41 C89 C92 C128 -2.0(13) . . . . ?
C42 N9 C85 C23 -178.0(6) . . . . ?
C42 N9 C85 C60 -0.4(10) . . . . ?
C42 C27 C67 C60 -0.8(11) . . . . ?
C44 C6 C14 C53 2.1(10) . . . . ?
C44 C6 B2 C12 -28.2(8) . . . . ?
C44 C6 B2 C32 94.9(7) . . . . ?
C44 C6 B2 C59 -144.3(6) . . . . ?
C44 C74 C86 C53 3.7(13) . . . . ?
C45 N4 C9 C28 170.1(6) . . . . ?
C45 C39 C41 C89 179.4(6) . . . . ?
C45 C39 C96 C128 -179.1(7) . . . . ?
C45 C39 C96 C130 -2.5(12) . . . . ?
C45 C61 C77 C90 37.0(9) . . . . ?
C45 C61 C77 C124 -141.9(7) . . . . ?
C46 N1 C4 C3 179.0(6) . . . . ?
C46 C51 C58 C105 -175.9(6) . . . . ?
C46 C51 C129 C132 176.1(6) . . . . ?
C46 C51 C129 C138 -2.8(10) . . . . ?
C46 C93 C119 C118 -113.0(6) . . . . ?
C46 C93 C119 C120 64.2(7) . . . . ?
C47 C63 C113 C126 -1.2(14) . . . . ?
C47 C68 C82 N11 -179.5(6) . . . . ?
C47 C68 C82 C108 52.4(8) . . . . ?
C47 C104 C131 C126 3.5(16) . . . . ?
C48 C12 B2 C6 154.5(6) . . . . ?
C48 C12 B2 C32 39.0(8) . . . . ?
C48 C12 B2 C59 -84.0(7) . . . . ?
C48 C12 C80 C81 -3.0(10) . . . . ?
C49 C36 C70 C95 0.7(12) . . . . ?
C49 C37 C72 C95 -1.8(10) . . . . ?
C49 C37 B1 C26 148.3(6) . . . . ?
C49 C37 B1 C33 -89.3(7) . . . . ?
C49 C37 B1 C79 31.6(9) . . . . ?
C51 C46 C93 N2 -165.4(7) . . . . ?
C51 C46 C93 C119 72.3(9) . . . . ?
C51 C58 C105 C88 1.8(11) . . . . ?
C51 C129 C132 C88 -2.2(12) . . . . ?
C52 C54 C66 C116 176.6(7) . . . . ?
C52 C54 C66 C123 -3.7(11) . . . . ?
C52 C64 C94 C123 -1.9(12) . . . . ?
C54 C52 C64 C94 -0.5(10) . . . . ?
C54 C66 C123 C94 1.3(14) . . . . ?
C55 N10 C68 C47 -0.1(9) . . . . ?
C55 N10 C68 C82 -123.7(7) . . . . ?
C57 C33 B1 C26 38.6(8) . . . . ?
C57 C33 B1 C37 -82.2(7) . . . . ?
C57 C33 B1 C79 155.7(6) . . . . ?
C58 C51 C129 C132 -0.9(10) . . . . ?
C58 C51 C129 C138 -179.7(7) . . . . ?
C61 N5 C10 C15 175.0(6) . . . . ?
C61 C77 C90 C112 -177.3(7) . . . . ?
C61 C77 C124 C135 179.1(7) . . . . ?
C61 C77 C124 C141 0.5(12) . . . . ?
C62 N2 C93 C46 -166.7(7) . . . . ?
C62 N2 C93 C119 -47.3(9) . . . . ?
C63 C47 C68 N10 -75.7(9) . . . . ?
C63 C47 C68 C82 45.5(10) . . . . ?
C63 C47 C104 C131 -3.4(14) . . . . ?
C63 C47 C104 C140 -176.7(9) . . . . ?
C63 C113 C126 C131 1.2(15) . . . . ?
C64 C52 C54 C29 -177.2(6) . . . . ?
C64 C52 C54 C66 3.3(10) . . . . ?
C64 C94 C123 C66 1.5(15) . . . . ?
C65 N3 C28 C8 -0.8(10) . . . . ?
C65 N3 C28 C9 -178.6(6) . . . . ?
C65 C11 C30 C8 -3.9(11) . . . . ?
C67 C27 C42 N9 -0.7(11) . . . . ?
C67 C27 C42 C55 179.8(7) . . . . ?
C67 C60 C85 N9 -1.1(11) . . . . ?
C67 C60 C85 C23 176.4(7) . . . . ?
C68 N10 C55 C42 174.5(6) . . . . ?
C68 C47 C63 C113 -177.2(8) . . . . ?
C68 C47 C104 C131 176.1(9) . . . . ?
C68 C47 C104 C140 2.8(14) . . . . ?
C68 C82 C108 C107 -129.9(5) . . . . ?
C68 C82 C108 C109 50.2(7) . . . . ?
C70 C36 C49 C37 -2.1(11) . . . . ?
C71 C18 C32 B2 169.6(6) . . . . ?
C71 C18 C32 C83 -1.5(8) . . . . ?
C72 C37 C49 C36 2.5(10) . . . . ?
C72 C37 B1 C26 -41.0(9) . . . . ?
C72 C37 B1 C33 81.4(8) . . . . ?
C72 C37 B1 C79 -157.7(6) . . . . ?
C75 C16 C26 C35 0.7(9) . . . . ?
C75 C16 C26 B1 -171.4(6) . . . . ?
C75 C73 C103 C35 -2.4(12) . . . . ?
C76 C22 C33 C57 0.7(9) . . . . ?
C76 C22 C33 B1 -170.2(6) . . . . ?
C76 C56 C91 C57 -1.8(12) . . . . ?
C77 C90 C112 C127 -3.4(13) . . . . ?
C77 C124 C135 C127 -0.1(13) . . . . ?
C78 C69 C81 C80 0.8(13) . . . . ?
B2 C6 C14 C53 175.1(6) . . . . ?
B2 C6 C44 C74 -173.8(6) . . . . ?
B2 C12 C48 C78 171.8(6) . . . . ?
B2 C12 C80 C81 -172.2(6) . . . . ?
B2 C32 C83 C84 -169.4(6) . . . . ?
C79 C114 C115 C133 -4.0(16) . . . . ?
C79 C125 C137 C133 3.6(15) . . . . ?
C80 C12 C48 C78 2.5(10) . . . . ?
C80 C12 B2 C6 -37.2(8) . . . . ?
C80 C12 B2 C32 -152.7(6) . . . . ?
C80 C12 B2 C59 84.3(7) . . . . ?
C81 C69 C78 C48 -1.3(13) . . . . ?
C82 N11 C31 C21 178.2(6) . . . . ?
C82 C108 C109 C110 179.9(5) . . . . ?
C83 C32 B2 C6 82.4(7) . . . . ?
C83 C32 B2 C12 -156.4(6) . . . . ?
C83 C32 B2 C59 -38.4(8) . . . . ?
C83 C84 C87 C71 0.3(10) . . . . ?
C85 N9 C42 C27 1.3(10) . . . . ?
C85 N9 C42 C55 -179.2(6) . . . . ?
C85 C60 C67 C27 1.7(11) . . . . ?
C89 C92 C128 C96 2.5(14) . . . . ?
C90 C77 C124 C135 0.2(11) . . . . ?
C90 C77 C124 C141 -178.4(7) . . . . ?
C90 C112 C127 C135 3.5(14) . . . . ?
C91 C56 C76 C22 0.9(10) . . . . ?
C93 N2 C62 C65 173.7(7) . . . . ?
C93 C46 C51 C58 59.8(9) . . . . ?
C93 C46 C51 C129 -117.0(8) . . . . ?
C93 C119 C120 C121 -177.2(6) . . . . ?
C96 C39 C41 C89 -0.3(10) . . . . ?
C96 C39 C45 N4 85.5(8) . . . . ?
C96 C39 C45 C61 -155.7(6) . . . . ?
C97 C98 C99 C100 0.0 . . . . ?
C98 C97 C102 C19 -176.4(5) . . . . ?
C98 C97 C102 C101 0.0 . . . . ?
C98 C99 C100 C101 0.0 . . . . ?
C99 C100 C101 C102 0.0 . . . . ?
C99 C100 C101 C139 -172.3(8) . . . . ?
C100 C101 C102 C19 176.3(5) . . . . ?
C100 C101 C102 C97 0.0 . . . . ?
C102 C19 C29 N7 174.0(5) . . . . ?
C102 C19 C29 C54 45.9(8) . . . . ?
C102 C97 C98 C99 0.0 . . . . ?
C103 C73 C75 C16 0.6(10) . . . . ?
B1 C26 C35 C103 170.0(7) . . . . ?
B1 C33 C57 C91 169.6(6) . . . . ?
B1 C37 C49 C36 173.8(7) . . . . ?
B1 C37 C72 C95 -173.1(7) . . . . ?
B1 C79 C114 C115 177.9(8) . . . . ?
B1 C79 C125 C137 -177.9(8) . . . . ?
C104 C47 C63 C113 2.2(13) . . . . ?
C104 C47 C68 N10 104.9(9) . . . . ?
C104 C47 C68 C82 -133.9(8) . . . . ?
C105 C88 C132 C129 5.7(14) . . . . ?
C106 C107 C108 C82 -179.9(5) . . . . ?
C106 C107 C108 C109 0.0 . . . . ?
C107 C106 C111 C110 0.0 . . . . ?
C107 C108 C109 C110 0.0 . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C109 C110 C111 C106 0.0 . . . . ?
C111 C106 C107 C108 0.0 . . . . ?
C111 C106 C107 C134 -179.3(6) . . . . ?
C112 C127 C135 C124 -1.7(14) . . . . ?
C113 C126 C131 C104 -2.4(17) . . . . ?
C114 C79 B1 C26 -88.5(8) . . . . ?
C114 C79 B1 C33 148.3(7) . . . . ?
C114 C79 B1 C37 32.8(10) . . . . ?
C114 C79 C125 C137 -4.1(12) . . . . ?
C114 C115 C133 C137 3.1(17) . . . . ?
C115 C133 C137 C125 -2.9(17) . . . . ?
C116 C66 C123 C94 -179.0(9) . . . . ?
C117 C118 C119 C93 177.1(6) . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C117 C122 C121 0.0 . . . . ?
C118 C119 C120 C121 0.0 . . . . ?
C119 C120 C121 C122 0.0 . . . . ?
C120 C121 C122 C117 0.0 . . . . ?
C122 C117 C118 C119 0.0 . . . . ?
C122 C117 C118 C136 -176.6(8) . . . . ?
C124 C77 C90 C112 1.6(12) . . . . ?
C125 C79 B1 C26 84.8(8) . . . . ?
C125 C79 B1 C33 -38.5(9) . . . . ?
C125 C79 B1 C37 -153.9(7) . . . . ?
C125 C79 C114 C115 4.2(12) . . . . ?
C129 C51 C58 C105 1.0(10) . . . . ?
C130 C96 C128 C92 -178.3(10) . . . . ?
C132 C88 C105 C58 -5.4(13) . . . . ?
C134 C107 C108 C82 -0.6(7) . . . . ?
C134 C107 C108 C109 179.2(6) . . . . ?
C136 C118 C119 C93 -6.3(8) . . . . ?
C136 C118 C119 C120 176.6(8) . . . . ?
C138 C129 C132 C88 176.6(8) . . . . ?
C139 C101 C102 C19 -11.4(8) . . . . ?
C139 C101 C102 C97 172.3(8) . . . . ?
C140 C104 C131 C126 176.8(11) . . . . ?
C141 C124 C135 C127 178.5(8) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 562 electrons were 
found in a volume of 2784Å³ in 1 void per unit cell. 
This is consistent with the presence of 
7.5[CH3OH] per Asymmetric Unit 
which account for 540 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 -0.245 0.268 0.243 1391.5 281.3 '15 CH3OH'
2 -0.658 -0.232 0.757 1391.5 279.3 '15 CH3OH'

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