# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_Tb
_database_code_depnum_ccdc_archive 'CCDC 2544864'
loop_
_audit_author_name
_audit_author_address
'yan zhou'
;NANKAI UNIVERSITY
China
;
_audit_update_record             
;
2026-04-09 deposited with the CCDC.	2026-05-21 downloaded from the CCDC.
;
_audit_creation_date             2024-01-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H82 F108 N12 O44 Tb6'
_chemical_formula_sum            'C146 H82 F108 N12 O44 Tb6'
_chemical_formula_weight         5713.75
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   16.9733(2)
_cell_length_b                   21.7418(4)
_cell_length_c                   29.5168(3)
_cell_angle_alpha                71.7895(13)
_cell_angle_beta                 89.9329(10)
_cell_angle_gamma                75.5962(12)
_cell_volume                     9987.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47302
_cell_measurement_temperature    113
_cell_measurement_theta_max      75.5880
_cell_measurement_theta_min      3.6220
_shelx_estimated_absorpt_T_max   0.798
_shelx_estimated_absorpt_T_min   0.201
_exptl_absorpt_coefficient_mu    11.828
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5512
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
7 -3 -14 0.0266
7 4 15 0.0621
-11 0 3 0.0652
0 -13 1 0.0133
0 16 0 0.0140

_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7.1233 -2.5962 -14.4396 0.2296 0.9642 0.1325
7.0558 3.7637 14.5035 0.0016 -0.0097 -1.0000
-10.7287 -0.3187 2.5194 -0.1951 -0.8083 0.5556
-0.2387 -12.9105 0.5449 -0.9321 0.3293 -0.1506
0.2553 15.8854 -0.3023 1.1379 -0.4179 0.1723

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0864
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            30319
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        61.166
_diffrn_reflns_theta_max         61.166
_diffrn_reflns_theta_min         3.622
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      113
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -58.00   0.25    0.50    --  -47.27 -55.00 157.00  244
  2  ω    -23.00  23.00   0.25    0.50    --  -47.27  55.00 -58.00  184
  3  ω     61.00 117.00   0.25    0.50    --   47.27  55.00 -58.00  224
  4  ω    -24.00  62.00   0.25    0.50    --   47.27 -55.00 157.00  344
  5  ω   -174.00 -95.00   0.25    1.00    -- -104.50 -55.00 157.00  316
  6  ω    -59.00 -34.00   0.25    1.00    -- -104.50  55.00 -58.00  100
  7  ω    133.00 178.00   0.25    1.00    --  105.91  55.00 -58.00  180
  8  ω     34.00  64.00   0.25    1.00    --  105.91 -55.00 157.00  120
  9  ω     -9.00  17.00   0.25    0.50    --  -47.27  19.00 -60.00  104
 10  ω     36.00  89.00   0.25    0.50    --   47.27-125.00 -90.00  212
 11  ω     35.00 119.00   0.25    0.50    --   47.27  38.00  30.00  336
 12  ω      0.00  29.00   0.25    0.50    --   47.27 -19.00   0.00  116
 13  ω     34.00  93.00   0.25    0.50    --   47.27-125.00-150.00  236
 14  ω   -107.00 -45.00   0.25    1.00    -- -104.50 125.00 -30.00  248
 15  ω    -67.00 -41.00   0.25    1.00    -- -104.50 125.00  60.00  104
 16  ω   -111.00 -43.00   0.25    1.00    -- -104.50 125.00 150.00  272
 17  ω   -108.00 -70.00   0.25    1.00    -- -104.50 125.00 -60.00  152
 18  ω   -108.00 -36.00   0.25    1.00    -- -104.50 125.00-180.00  288
 19  ω   -174.00-104.00   0.25    1.00    -- -104.50 -30.00  30.00  280
 20  ω   -108.00 -82.00   0.25    1.00    -- -104.50 125.00  60.00  104
 21  ω   -107.00 -52.00   0.25    1.00    -- -104.50 125.00-150.00  220
 22  ω    -71.00 -37.00   0.25    1.00    -- -104.50 125.00  30.00  136
 23  ω   -110.00 -76.00   0.25    1.00    -- -104.50 125.00  30.00  136
 24  ω    -68.00 -35.00   0.25    1.00    -- -104.50  61.00 150.00  132
 25  ω    -67.00 -36.00   0.25    1.00    -- -104.50  61.00 -30.00  124
 26  ω     34.00  59.00   0.25    1.00    --  105.91-146.00  -6.14  100
 27  ω     97.00 123.00   0.25    1.00    --  105.91  30.00-180.00  104
 28  ω     35.00  71.00   0.25    1.00    --  105.91 -61.00 -30.00  144
 29  ω     56.00 108.00   0.25    1.00    --  105.91-110.00  60.94  208
 30  ω    104.00 177.00   0.25    1.00    --  105.91  45.00-120.00  292
 31  ω     44.00  99.00   0.25    1.00    --  105.91 -95.00  90.00  220
 32  ω     33.00  74.00   0.25    1.00    --  105.91 -61.00 -60.00  164
 33  ω     33.00  58.00   0.25    1.00    --  105.91 -61.00-120.00  100
 34  ω     41.00 104.00   0.25    1.00    --  105.91 -77.00  90.00  252
 35  ω     42.00  77.00   0.25    1.00    --  105.91-107.00 -61.93  140
 36  ω    135.00 174.00   0.25    1.00    --  105.91  30.00-180.00  156
 37  ω     97.00 152.00   0.25    1.00    --  105.91  45.00 -30.00  220
 38  ω     93.00 127.00   0.25    1.00    --  105.91-146.00  -6.14  136
 39  ω    131.00 157.00   0.25    1.00    --  105.91 125.00  60.00  104
 40  ω     81.00 107.00   0.25    1.00    --  105.91 125.00  60.00  104
 41  ω     82.00 107.00   0.25    1.00    --  105.91-108.00 155.35  100
 42  ω     55.00  81.00   0.25    1.00    --  105.91-108.00 155.35  104
 43  ω     91.00 176.00   0.25    1.00    --  105.91  61.00-150.00  340
 44  ω     36.00  63.00   0.25    1.00    --  105.91 -61.00   0.00  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0105653000
_diffrn_orient_matrix_UB_12      0.0710152000
_diffrn_orient_matrix_UB_13      -0.0234591000
_diffrn_orient_matrix_UB_21      0.0697455000
_diffrn_orient_matrix_UB_22      -0.0279499000
_diffrn_orient_matrix_UB_23      -0.0273442000
_diffrn_orient_matrix_UB_31      -0.0619026000
_diffrn_orient_matrix_UB_32      0.0110484000
_diffrn_orient_matrix_UB_33      -0.0416979000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                24127
_reflns_number_total             30319
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.989
_refine_diff_density_min         -2.854
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2814
_refine_ls_number_reflns         30319
_refine_ls_number_restraints     204
_refine_ls_R_factor_all          0.1139
_refine_ls_R_factor_gt           0.0992
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0940P)²+150.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2399
_refine_ls_wR_factor_ref         0.2490
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8950(15)
 0.1050(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
C143 \\sim C144 \\sim C90 \\sim C141 \\sim C140 \\sim C43: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C117) \\sim Ueq, Uanis(C141) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(F104) \\sim Ueq,
Uanis(F62) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(F42)
\\sim Ueq, Uanis(C145) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C8) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C7) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N10) \\sim Ueq, Uanis(C142) \\sim Ueq, Uanis(N12) \\sim Ueq, Uanis(C144)
\\sim Ueq, Uanis(F98) \\sim Ueq, Uanis(F103) \\sim Ueq, Uanis(F105) \\sim Ueq,
Uanis(F106) \\sim Ueq, Uanis(N7) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(N3)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C81(H81), C15(H15), C11(H11), C6(H6), C23(H23), C3(H3), C24(H24),
 C14(H14), C21(H21), C26(H26), C54(H54), C4(H4), C7(H7), C29(H29), C38(H38),
 C48(H48), C22(H22), C13(H13), C9(H9), C2(H2), C61(H61), C64(H64), C68(H68),
 C80(H80), C86(H86), C92(H92), C95(H95), C104(H104), C108(H108), C110(H110),
 C114(H114), C125(H125), C130(H130)
4.b Fitted hexagon refined as free rotating group:
 C1(C40,C81,C15,C10,C11), C6(C23,C8,C3,C24,C16), C26(C54,C5,C4,C7,C44),
 C60(C22,C13,C12,C9,C2)
4.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C25(H25A,H25B,H25C), C43(H43A,H43B,H43C), C50(H50A,H50B,
 H50C), C66(H66A,H66B,H66C), C78(H78A,H78B,H78C), C96(H96A,H96B,H96C), C97(H97A,
 H97B,H97C), C99(H99A,H99B,H99C), C123(H12A,H12B,H12C), C132(H13A,H13B,H13C),
 C137(H13D,H13E,H13F), C138(H13G,H13H,H13I), C140(H14A,H14B,H14C), C143(H14D,
 H14E,H14F), C144(H14G,H14H,H14I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb6 Tb 1.07698(4) 0.27619(4) 0.29930(3) 0.02848(18) Uani 1 1 d . . . . .
Tb3 Tb 0.57689(4) 0.27055(4) 0.80250(3) 0.02856(18) Uani 1 1 d . . . . .
Tb2 Tb 0.17521(5) 0.25666(4) 0.97473(3) 0.0355(2) Uani 1 1 d . . . . .
Tb5 Tb 0.48019(4) 0.25950(4) 0.47662(3) 0.0322(2) Uani 1 1 d . . . . .
Tb4 Tb 0.98307(4) 0.25568(4) 0.63512(3) 0.03124(19) Uani 1 1 d . . . . .
Tb1 Tb 0.67835(5) 0.25046(4) 1.13860(3) 0.0375(2) Uani 1 1 d . . . . .
O1 O 0.9070(5) 0.2973(5) 0.6920(3) 0.036(2) Uani 1 1 d . . . . .
F1 F 1.2081(5) 0.3392(5) 0.6704(3) 0.062(2) Uani 1 1 d . . . . .
O2 O 0.5795(5) 0.1732(5) 0.7814(3) 0.041(2) Uani 1 1 d . . . . .
F2 F 0.3278(5) 0.5108(5) 0.4327(4) 0.070(3) Uani 1 1 d . . . . .
F3 F 0.7038(5) 0.3429(5) 0.4019(4) 0.066(3) Uani 1 1 d . . . . .
O3 O 1.0068(5) 0.3125(4) 0.3590(3) 0.033(2) Uani 1 1 d . . . . .
F4 F 0.8762(6) 0.5169(4) 0.1669(4) 0.070(3) Uani 1 1 d . . . . .
F5 F 0.3602(6) 0.0514(4) 0.9715(3) 0.063(2) Uani 1 1 d . . . . .
F6 F 0.8294(5) 0.5075(5) 0.5665(4) 0.071(3) Uani 1 1 d . . . . .
O4 O 0.5071(5) 0.3093(5) 0.7259(3) 0.037(2) Uani 1 1 d . . . . .
F7 F 0.3996(5) 0.3376(5) 1.1685(4) 0.069(3) Uani 1 1 d . . . . .
O5 O 0.5654(5) 0.3230(5) 0.4312(3) 0.040(2) Uani 1 1 d . . . . .
F8 F 0.1621(6) 0.5104(5) 0.9277(4) 0.072(3) Uani 1 1 d . . . . .
F9 F 0.6543(7) 0.4809(5) 0.7406(4) 0.071(3) Uani 1 1 d . . . . .
O6 O 0.2270(5) 0.3034(4) 0.9000(3) 0.036(2) Uani 1 1 d . . . . .
F10 F 1.2165(6) 0.4424(5) 0.3332(4) 0.072(3) Uani 1 1 d . . . . .
O7 O 0.4683(5) 0.2283(4) 0.8371(3) 0.0306(19) Uani 1 1 d . U . . .
F11 F 0.8579(6) 0.4825(5) 0.2416(4) 0.071(3) Uani 1 1 d . . . . .
O8 O 1.1208(5) 0.3212(4) 0.2230(3) 0.035(2) Uani 1 1 d . . . . .
O9 O 0.4705(5) 0.3637(4) 0.8049(3) 0.040(2) Uani 1 1 d . . . . .
F12 F 0.8214(5) 0.4361(5) 0.1940(4) 0.070(3) Uani 1 1 d . . . . .
F13 F 0.7005(6) 0.0089(4) 0.9400(3) 0.066(3) Uani 1 1 d . . . . .
F14 F 0.3640(6) 0.4816(5) 0.7633(4) 0.079(3) Uani 1 1 d . . . . .
F15 F 0.4514(6) 0.1035(4) 0.9534(4) 0.072(3) Uani 1 1 d . . . . .
F16 F 0.4231(6) 0.5348(4) 0.4633(4) 0.070(3) Uani 1 1 d . . . . .
O10 O 1.4044(5) 0.3067(5) 0.4005(3) 0.038(2) Uani 1 1 d . . . . .
F17 F 0.6412(6) 0.0925(5) 0.9627(3) 0.072(3) Uani 1 1 d . . . . .
O11 O 0.8894(6) 0.2533(5) 0.5783(3) 0.042(2) Uani 1 1 d . . . . .
O12 O 1.0458(6) 0.1616(4) 0.6126(3) 0.043(2) Uani 1 1 d . . . . .
O13 O 0.6262(5) 0.3601(5) 0.7550(3) 0.045(2) Uani 1 1 d . . . . .
O14 O 1.0696(5) 0.3178(5) 0.6508(3) 0.042(2) Uani 1 1 d . . . . .
F18 F 1.1469(7) 0.4904(5) 0.2652(4) 0.076(3) Uani 1 1 d . . . . .
F19 F 0.6664(6) 0.5085(5) 1.0679(4) 0.074(3) Uani 1 1 d . . . . .
O15 O 0.9676(5) 0.3659(4) 0.2534(3) 0.042(2) Uani 1 1 d . . . . .
O16 O 0.6198(5) 0.3132(5) 0.8596(3) 0.037(2) Uani 1 1 d . . . . .
O17 O 0.9703(5) 0.2290(4) 0.2876(3) 0.035(2) Uani 1 1 d . . . . .
O18 O 1.1205(6) 0.3688(5) 0.3048(3) 0.044(2) Uani 1 1 d . . . . .
F20 F 0.0893(6) 0.1086(5) 1.1219(4) 0.076(3) Uani 1 1 d . . . . .
O19 O 0.9207(6) 0.3698(5) 0.5948(3) 0.041(2) Uani 1 1 d . . . . .
O20 O 0.1641(6) 0.3712(5) 0.9630(4) 0.043(2) Uani 1 1 d . . . . .
F21 F 0.3243(5) 0.4390(5) 0.8321(4) 0.077(3) Uani 1 1 d . . . . .
F22 F 0.6160(6) 0.5119(5) 0.6660(4) 0.069(3) Uani 1 1 d . . . . .
C1 C 0.5303(3) 0.2444(4) 0.9692(3) 0.034(3) Uani 1 1 d G U . . .
H1 H 0.584237 0.216658 0.979248 0.040 Uiso 1 1 calc R U . . .
C40 C 0.4952(5) 0.2899(4) 0.9923(3) 0.043(3) Uani 1 1 d G U . . .
C81 C 0.4163(5) 0.3304(4) 0.9776(3) 0.039(3) Uani 1 1 d G . . . .
H81 H 0.392329 0.361551 0.993448 0.047 Uiso 1 1 calc R U . . .
C15 C 0.3726(4) 0.3254(4) 0.9397(3) 0.038(3) Uani 1 1 d G . . . .
H15 H 0.318716 0.353083 0.929669 0.045 Uiso 1 1 calc R U . . .
C10 C 0.4077(4) 0.2798(4) 0.9166(2) 0.034(3) Uani 1 1 d G . . . .
C11 C 0.4866(4) 0.2393(4) 0.9313(3) 0.025(2) Uani 1 1 d G U . . .
H11 H 0.510623 0.208189 0.915469 0.030 Uiso 1 1 calc R U . . .
F23 F 0.7252(5) 0.4336(5) 0.6950(4) 0.066(3) Uani 1 1 d . . . . .
O21 O 0.2716(6) 0.2529(5) 1.0327(4) 0.046(2) Uani 1 1 d . . . . .
O22 O 0.6321(5) 0.1759(5) 0.8709(3) 0.040(2) Uani 1 1 d . . . . .
O1A O 1.2145(5) 0.2362(6) 0.3320(3) 0.051(3) Uani 1 1 d . . . . .
O23 O 0.7144(5) 0.2227(5) 0.7904(3) 0.044(2) Uani 1 1 d . . . . .
N1 N 0.2825(6) 0.2804(5) 0.8735(4) 0.030(2) Uani 1 1 d . . . . .
O24 O 0.8000(6) 0.1705(5) 1.1785(3) 0.049(3) Uani 1 1 d . . . . .
F24 F 0.0534(6) 0.5314(5) 0.9620(5) 0.085(4) Uani 1 1 d . . . . .
F25 F -0.1017(5) 0.3337(5) 0.9054(4) 0.067(3) Uani 1 1 d . . . . .
O25 O 0.7737(6) 0.2443(5) 1.0809(3) 0.046(2) Uani 1 1 d . . . . .
O26 O 0.9131(5) 0.1755(4) 0.6749(3) 0.038(2) Uani 1 1 d . . . . .
F26 F 0.4535(7) 0.0370(5) 1.0257(4) 0.081(3) Uani 1 1 d . . . . .
O27 O 0.5364(6) 0.1642(5) 0.5440(3) 0.049(3) Uani 1 1 d . . . . .
O28 O 0.0500(5) 0.3182(5) 0.9297(3) 0.042(2) Uani 1 1 d . . . . .
O29 O 0.3832(6) 0.2543(5) 0.5340(3) 0.040(2) Uani 1 1 d . . . . .
O30 O 0.5530(5) 0.3160(5) 1.1535(3) 0.046(2) Uani 1 1 d . . . . .
F27 F 0.9243(6) 0.5294(5) 0.5222(4) 0.081(3) Uani 1 1 d . . . . .
O31 O 0.4189(5) 0.3726(5) 0.4677(4) 0.045(2) Uani 1 1 d . . . . .
O32 O 0.5823(6) 0.1849(5) 0.4521(4) 0.046(2) Uani 1 1 d . . . . .
F28 F 1.1056(7) 0.5203(5) 0.3250(4) 0.075(3) Uani 1 1 d . . . . .
O33 O 0.4111(6) 0.1815(5) 0.4690(4) 0.045(2) Uani 1 1 d . . . . .
O34 O 0.7280(5) 0.2945(5) 0.1938(3) 0.042(2) Uani 1 1 d . . . . .
O35 O 0.1684(6) 0.1647(6) 1.0419(4) 0.051(3) Uani 1 1 d . . . . .
O36 O 0.1275(6) 0.1791(5) 0.9481(4) 0.048(2) Uani 1 1 d . . . . .
O37 O 1.0906(5) 0.1752(4) 0.3636(3) 0.036(2) Uani 1 1 d . . . . .
O38 O 0.6729(6) 0.3635(5) 1.0970(3) 0.048(2) Uani 1 1 d . . . . .
N2 N 0.3902(5) 0.2465(5) 0.8443(3) 0.025(2) Uani 1 1 d . . . . .
O39 O 0.6328(6) 0.1756(6) 1.2027(4) 0.055(3) Uani 1 1 d . . . . .
O40 O 0.6667(6) 0.1577(6) 1.1156(4) 0.053(3) Uani 1 1 d . . . . .
O41 O 1.0806(6) 0.1837(5) 0.6962(3) 0.043(2) Uani 1 1 d . . . . .
F29 F 0.7492(7) 0.0536(5) 0.4577(4) 0.092(4) Uani 1 1 d . . . . .
F30 F 0.3844(6) 0.5165(5) 0.8211(4) 0.078(3) Uani 1 1 d . . . . .
F31 F 1.2737(7) 0.0387(6) 0.2772(4) 0.091(4) Uani 1 1 d . . . . .
O42 O 0.2961(6) 0.1769(5) 0.9700(3) 0.043(2) Uani 1 1 d . . . . .
F32 F 0.5715(8) 0.5189(7) 1.0182(5) 0.115(5) Uani 1 1 d . . . . .
F33 F -0.0885(8) 0.4269(6) 0.8592(4) 0.097(4) Uani 1 1 d . . . . .
F34 F 0.9512(8) 0.0989(6) 1.2307(5) 0.100(4) Uani 1 1 d . . . . .
O43 O 1.1382(5) 0.1866(4) 0.2713(3) 0.036(2) Uani 1 1 d . . . . .
F35 F 0.7590(6) 0.0862(5) 0.9349(4) 0.077(3) Uani 1 1 d . . . . .
F36 F 1.1654(8) 0.0761(6) 0.2305(4) 0.089(4) Uani 1 1 d . . . . .
F37 F 0.6089(8) 0.0850(5) 0.7317(4) 0.089(4) Uani 1 1 d . . . . .
F38 F 0.6074(8) 0.0042(5) 0.7940(4) 0.091(4) Uani 1 1 d . . . . .
F39 F -0.1363(6) 0.4209(7) 0.9270(5) 0.105(5) Uani 1 1 d . . . . .
F40 F 0.2176(7) 0.0664(6) 1.1269(4) 0.085(3) Uani 1 1 d . . . . .
N3 N 0.8674(6) 0.2745(5) 0.7292(3) 0.026(2) Uani 1 1 d . U . . .
F41 F 0.1389(9) 0.0144(5) 1.1106(4) 0.092(4) Uani 1 1 d . . . . .
F42 F 0.3621(7) 0.2085(7) 0.6333(4) 0.088(3) Uani 1 1 d . U . . .
F43 F 0.9388(8) 0.3107(6) 0.4402(4) 0.091(4) Uani 1 1 d . . . . .
F44 F 1.2370(7) 0.0455(6) 0.7589(5) 0.104(5) Uani 1 1 d . . . . .
F45 F 0.2697(8) 0.2776(8) 0.5916(4) 0.103(4) Uani 1 1 d . . . . .
F46 F 0.6238(8) 0.4314(7) 0.3555(5) 0.121(6) Uani 1 1 d . . . . .
F47 F 0.8356(9) 0.0929(6) 0.7354(4) 0.098(4) Uani 1 1 d . . . . .
F48 F 1.1358(8) 0.0881(6) 0.4526(4) 0.092(4) Uani 1 1 d . . . . .
F49 F 0.6471(8) 0.0039(5) 0.6092(4) 0.091(4) Uani 1 1 d . . . . .
F50 F 0.6193(8) 0.4157(7) 0.9283(5) 0.125(6) Uani 1 1 d . . . . .
F51 F 0.8700(10) 0.2687(10) 1.0114(5) 0.130(6) Uani 1 1 d . . . . .
N4 N 0.8945(6) 0.2435(5) 0.2742(4) 0.032(2) Uani 1 1 d . . . . .
N5 N 0.7805(6) 0.2745(6) 0.2302(4) 0.037(3) Uani 1 1 d . . . . .
F52 F 0.8559(9) 0.4641(6) 0.5115(4) 0.113(5) Uani 1 1 d . . . . .
F53 F 0.9396(8) 0.4106(7) 0.4302(5) 0.106(5) Uani 1 1 d . . . . .
F54 F 0.6813(8) 0.4319(8) 0.4203(6) 0.123(6) Uani 1 1 d . . . . .
F1A F 0.4203(8) 0.4269(7) 1.1746(5) 0.108(5) Uani 1 1 d . . . . .
F55 F 0.3711(6) 0.4246(7) 1.1077(5) 0.117(5) Uani 1 1 d . . . . .
F56 F 0.3155(7) 0.2129(8) 1.1325(4) 0.101(4) Uani 1 1 d . . . . .
F57 F 1.1298(8) 0.4303(6) 0.6731(6) 0.119(6) Uani 1 1 d . . . . .
N6 N 1.3691(6) 0.2862(6) 0.3718(4) 0.037(3) Uani 1 1 d . . . . .
F58 F 0.7591(9) 0.1883(9) 0.5279(5) 0.124(6) Uani 1 1 d . . . . .
F59 F 0.3624(6) 0.3914(8) 0.6633(4) 0.108(5) Uani 1 1 d . . . . .
F60 F 1.1870(8) 0.4251(7) 0.6085(5) 0.111(5) Uani 1 1 d . . . . .
F61 F 0.4371(8) 0.3110(6) 0.6462(4) 0.094(4) Uani 1 1 d . . . . .
F62 F 0.8650(7) 0.2109(6) 0.4975(4) 0.086(3) Uani 1 1 d . U . . .
F63 F 1.0397(8) 0.0661(6) 0.4224(4) 0.097(4) Uani 1 1 d . . . . .
F64 F 0.1645(10) 0.4668(6) 1.0035(4) 0.112(5) Uani 1 1 d . . . . .
F65 F 0.4446(8) 0.4079(7) 0.6092(4) 0.108(5) Uani 1 1 d . . . . .
F66 F 0.8613(6) 0.3895(8) 0.3865(5) 0.107(5) Uani 1 1 d . . . . .
F67 F 0.8682(7) 0.0427(6) 1.2325(5) 0.103(4) Uani 1 1 d . . . . .
N7 N 1.2790(6) 0.2555(6) 0.3393(4) 0.041(3) Uani 1 1 d . U . . .
N8 N 1.0566(7) 0.2895(6) 0.5599(4) 0.041(3) Uani 1 1 d . . . . .
F68 F 0.7728(9) 0.2870(7) 0.5067(4) 0.116(5) Uani 1 1 d . . . . .
F69 F 1.1605(10) 0.0043(6) 0.4265(4) 0.111(5) Uani 1 1 d . . . . .
F70 F 0.6905(9) 0.4561(6) 1.0183(4) 0.097(4) Uani 1 1 d . . . . .
F71 F 0.3730(9) 0.2811(8) 1.0902(4) 0.108(4) Uani 1 1 d . . . . .
F72 F 0.3582(9) 0.4684(5) 0.5069(5) 0.114(5) Uani 1 1 d . . . . .
F73 F 0.6891(9) 0.3183(6) 0.9378(5) 0.117(6) Uani 1 1 d . . . . .
F74 F 1.1867(9) 0.3238(6) 0.1424(5) 0.122(6) Uani 1 1 d . . . . .
F75 F 1.1453(11) 0.0916(6) 0.5599(5) 0.118(5) Uani 1 1 d . . . . .
F76 F 0.8142(8) 0.2066(8) 0.9999(4) 0.111(5) Uani 1 1 d . . . . .
F77 F 0.4310(8) 0.0498(6) 0.4784(7) 0.142(7) Uani 1 1 d . . . . .
C6 C 0.7462(4) 0.3199(4) 0.6433(3) 0.033(3) Uani 1 1 d G . . . .
H6 H 0.782102 0.347926 0.640708 0.040 Uiso 1 1 calc R U . . .
C23 C 0.6982(5) 0.3259(4) 0.6032(2) 0.039(3) Uani 1 1 d G . . . .
H23 H 0.701200 0.357981 0.573316 0.047 Uiso 1 1 calc R U . . .
C8 C 0.6457(5) 0.2849(4) 0.6070(2) 0.036(3) Uani 1 1 d G U . . .
C3 C 0.6413(4) 0.2379(4) 0.6508(3) 0.032(3) Uani 1 1 d G U . . .
H3 H 0.605467 0.209922 0.653386 0.039 Uiso 1 1 calc R U . . .
C24 C 0.6894(5) 0.2320(3) 0.6908(2) 0.026(3) Uani 1 1 d G U . . .
H24 H 0.686368 0.199866 0.720778 0.032 Uiso 1 1 calc R U . . .
C16 C 0.7418(4) 0.2730(4) 0.6871(2) 0.032(3) Uani 1 1 d G U . . .
F78 F 1.2509(9) 0.1333(6) 0.2233(5) 0.113(5) Uani 1 1 d . . . . .
F79 F 0.4985(8) 0.0809(7) 0.7660(6) 0.107(5) Uani 1 1 d . . . . .
F80 F 0.7111(8) 0.3977(8) 0.8841(5) 0.114(5) Uani 1 1 d . . . . .
F81 F 1.1695(12) 0.0061(6) 0.6192(5) 0.137(7) Uani 1 1 d . . . . .
F82 F 0.4369(8) 0.1812(9) 1.1163(6) 0.154(8) Uani 1 1 d . . . . .
N9 N 1.0773(7) 0.2920(6) 0.0326(4) 0.043(3) Uani 1 1 d . . . . .
N10 N 0.5582(8) 0.2893(6) 0.5359(4) 0.050(3) Uani 1 1 d . U . . .
F83 F 0.5945(8) 0.0964(6) 1.0637(4) 0.090(4) Uani 1 1 d . . . . .
N11 N 0.7791(6) 0.2418(5) 0.7738(4) 0.030(2) Uani 1 1 d . . . . .
F84 F 0.9638(9) 0.0353(7) 1.1878(5) 0.130(6) Uani 1 1 d . . . . .
F85 F 0.6517(9) 0.0964(8) 0.4030(5) 0.126(6) Uani 1 1 d . . . . .
F86 F 0.2561(9) 0.1836(9) 0.6119(5) 0.125(6) Uani 1 1 d . . . . .
C14 C 1.1432(9) 0.0863(8) 0.6746(6) 0.048(4) Uani 1 1 d . . . . .
H14 H 1.182682 0.044207 0.685108 0.057 Uiso 1 1 calc R U . . .
F87 F 1.1171(8) 0.4223(8) 0.1072(5) 0.151(8) Uani 1 1 d . . . . .
C17 C 0.0052(8) 0.3751(7) 0.9264(5) 0.039(3) Uani 1 1 d . . . . .
C18 C 0.8767(9) 0.1433(7) 0.6594(5) 0.046(4) Uani 1 1 d . . . . .
N12 N 0.5822(8) 0.2887(6) 1.0630(4) 0.049(3) Uani 1 1 d . U . . .
C19 C 0.3600(7) 0.2695(6) 0.8792(4) 0.030(3) Uani 1 1 d . . . . .
F88 F 0.5859(11) 0.0308(7) 1.2716(5) 0.121(5) Uani 1 1 d . . . . .
F89 F 1.2076(9) 0.4044(11) 0.1582(6) 0.147(7) Uani 1 1 d . . . . .
C20 C 0.8281(9) 0.2358(8) 0.8548(5) 0.047(4) Uani 1 1 d . . . . .
H20A H 0.796671 0.204655 0.871865 0.070 Uiso 1 1 calc R U . . .
H20B H 0.794633 0.281998 0.847528 0.070 Uiso 1 1 calc R U . . .
H20C H 0.877271 0.229249 0.874991 0.070 Uiso 1 1 calc R U . . .
C21 C 0.6410(9) 0.0899(8) 0.5182(6) 0.049(4) Uani 1 1 d . . . . .
H21 H 0.681607 0.048375 0.528197 0.059 Uiso 1 1 calc R U . . .
C25 C 0.8509(9) 0.2416(8) 0.3545(5) 0.045(4) Uani 1 1 d . . . . .
H25A H 0.899183 0.208037 0.373129 0.067 Uiso 1 1 calc R U . . .
H25B H 0.803732 0.240537 0.373620 0.067 Uiso 1 1 calc R U . . .
H25C H 0.860650 0.286262 0.345819 0.067 Uiso 1 1 calc R U . . .
C26 C 1.2439(4) 0.3272(4) 0.4376(3) 0.036(3) Uani 1 1 d G . . . .
H26 H 1.279534 0.355600 0.427795 0.043 Uiso 1 1 calc R U . . .
C54 C 1.1957(5) 0.3317(4) 0.4751(3) 0.037(3) Uani 1 1 d G . . . .
H54 H 1.198334 0.363068 0.490975 0.044 Uiso 1 1 calc R U . . .
C5 C 1.1436(5) 0.2902(4) 0.4894(3) 0.035(3) Uani 1 1 d G . . . .
C4 C 1.1397(4) 0.2443(4) 0.4662(3) 0.039(3) Uani 1 1 d G U . . .
H4 H 1.104098 0.215910 0.475946 0.046 Uiso 1 1 calc R U . . .
C7 C 1.1879(5) 0.2398(3) 0.4286(3) 0.024(2) Uani 1 1 d G U . . .
H7 H 1.185297 0.208440 0.412765 0.028 Uiso 1 1 calc R U . . .
C44 C 1.2401(4) 0.2813(4) 0.4143(2) 0.034(3) Uani 1 1 d G . . . .
C27 C 0.5991(8) 0.2888(7) 0.5677(5) 0.038(3) Uani 1 1 d . . . . .
C28 C 0.3301(8) 0.2288(7) 0.8160(5) 0.038(3) Uani 1 1 d . . . . .
C29 C 1.0353(9) 0.4142(7) 0.3557(6) 0.046(4) Uani 1 1 d . . . . .
H29 H 1.021047 0.451171 0.367511 0.055 Uiso 1 1 calc R U . . .
C30 C 0.5731(9) 0.3796(7) 0.4262(5) 0.042(3) Uani 1 1 d . . . . .
C31 C 0.8609(7) 0.2655(7) 0.2286(4) 0.031(3) Uani 1 1 d . . . . .
F90 F 0.7271(10) 0.1562(7) 0.4157(6) 0.132(6) Uani 1 1 d . . . . .
C32 C 0.7985(8) 0.2635(6) 0.7299(4) 0.034(3) Uani 1 1 d . . . . .
C33 C 0.5955(8) 0.3647(7) 0.8703(5) 0.038(3) Uani 1 1 d . . . . .
C34 C 0.3848(10) 0.4642(7) 0.8082(6) 0.052(4) Uani 1 1 d . . . . .
C35 C 1.2938(7) 0.2753(7) 0.3762(4) 0.033(3) Uani 1 1 d . . . . .
C36 C 0.1031(8) 0.4218(8) 0.9558(5) 0.042(3) Uani 1 1 d . . . . .
C37 C 0.5403(9) 0.2906(7) 1.0308(5) 0.039(3) Uani 1 1 d . . . . .
C38 C 0.1220(10) 0.0865(8) 1.0153(6) 0.059(4) Uani 1 1 d . . . . .
H38 H 0.108852 0.044506 1.025702 0.071 Uiso 1 1 calc R U . . .
C39 C 1.0761(9) 0.3754(7) 0.6289(5) 0.042(3) Uani 1 1 d . . . . .
C41 C 0.3487(9) 0.2102(9) 0.5536(6) 0.052(4) Uani 1 1 d . . . . .
C42 C 0.3531(8) 0.1424(7) 1.0013(5) 0.041(3) Uani 1 1 d . . . . .
C43 C 1.3343(10) 0.2390(9) 0.2655(6) 0.057(4) Uani 1 1 d . U . . .
H43A H 1.308073 0.203664 0.265450 0.085 Uiso 1 1 calc R U . . .
H43B H 1.385371 0.232748 0.249949 0.085 Uiso 1 1 calc R U . . .
H43C H 1.297720 0.282930 0.248036 0.085 Uiso 1 1 calc R U . . .
C45 C 0.4649(8) 0.4094(6) 0.8235(5) 0.039(3) Uani 1 1 d . . . . .
C46 C 0.3321(9) 0.2087(8) 1.0557(5) 0.047(4) Uani 1 1 d . . . . .
C47 C 0.6313(9) 0.1316(7) 0.4700(5) 0.042(3) Uani 1 1 d . . . . .
C48 C 0.5230(8) 0.4146(7) 0.8541(5) 0.044(3) Uani 1 1 d . . . . .
H48 H 0.513063 0.453143 0.864137 0.053 Uiso 1 1 calc R U . . .
C49 C 0.4058(9) 0.0830(8) 0.9886(6) 0.053(4) Uani 1 1 d . . . . .
C50 C 0.3456(8) 0.2409(7) 0.7662(5) 0.044(3) Uani 1 1 d . . . . .
H50A H 0.300391 0.234773 0.748928 0.065 Uiso 1 1 calc R U . . .
H50B H 0.396527 0.209313 0.763733 0.065 Uiso 1 1 calc R U . . .
H50C H 0.350378 0.286944 0.752118 0.065 Uiso 1 1 calc R U . . .
C51 C 0.5113(8) 0.3729(7) 1.1306(6) 0.045(4) Uani 1 1 d . . . . .
C52 C 0.4988(8) 0.3622(7) 0.6905(5) 0.037(3) Uani 1 1 d . . . . .
F91 F 1.1398(11) 0.0966(8) 0.7876(5) 0.140(7) Uani 1 1 d . . . . .
C53 C 1.0994(10) 0.1069(8) 0.6314(6) 0.050(4) Uani 1 1 d . . . . .
F92 F 0.3227(9) 0.1047(8) 0.4435(7) 0.144(8) Uani 1 1 d . . . . .
C55 C 0.9974(7) 0.3642(7) 0.3710(5) 0.034(3) Uani 1 1 d . . . . .
C56 C 0.6478(12) 0.3970(10) 0.4005(7) 0.066(5) Uani 1 1 d . . . . .
C57 C 0.7540(9) 0.2710(9) 0.2788(5) 0.046(4) Uani 1 1 d . . . . .
C58 C 1.0936(8) 0.2905(6) 0.5279(5) 0.036(3) Uani 1 1 d . . . . .
C59 C 0.1479(9) 0.1132(8) 1.0481(6) 0.051(4) Uani 1 1 d . . . . .
C60 C 0.9931(5) 0.2898(5) 0.1041(2) 0.045(4) Uani 1 1 d G . . . .
C22 C 0.9131(5) 0.3280(4) 0.1010(2) 0.038(3) Uani 1 1 d G . . . .
H22 H 0.887818 0.358937 0.071117 0.045 Uiso 1 1 calc R U . . .
C13 C 0.8703(3) 0.3209(4) 0.1417(3) 0.033(3) Uani 1 1 d G . . . .
H13 H 0.815606 0.347047 0.139558 0.039 Uiso 1 1 calc R U . . .
C12 C 0.9073(4) 0.2757(4) 0.1854(2) 0.032(3) Uani 1 1 d G . . . .
C9 C 0.9873(4) 0.2375(4) 0.1885(2) 0.028(3) Uani 1 1 d G U . . .
H9 H 1.012603 0.206523 0.218453 0.034 Uiso 1 1 calc R U . . .
C2 C 1.0302(3) 0.2445(4) 0.1479(3) 0.038(3) Uani 1 1 d G U . . .
H2 H 1.084817 0.218413 0.150013 0.046 Uiso 1 1 calc R U . . .
C61 C 0.6259(11) 0.0831(8) 1.1797(7) 0.062(5) Uani 1 1 d . . . . .
H61 H 0.612998 0.041110 1.190521 0.074 Uiso 1 1 calc R U . . .
C62 C 0.2513(7) 0.2757(8) 0.8267(4) 0.038(3) Uani 1 1 d . . . . .
C63 C 0.6459(8) 0.1144(7) 0.8796(5) 0.042(3) Uani 1 1 d . . . . .
F93 F 0.0900(12) 0.0308(6) 0.9491(5) 0.140(7) Uani 1 1 d . . . . .
C64 C 1.0222(9) 0.4273(7) 0.5925(5) 0.042(3) Uani 1 1 d . . . . .
H64 H 1.037045 0.467555 0.576693 0.051 Uiso 1 1 calc R U . . .
C65 C 0.9478(9) 0.4194(7) 0.5797(5) 0.045(4) Uani 1 1 d . . . . .
C66 C 0.3368(10) 0.1550(8) 0.8425(6) 0.057(4) Uani 1 1 d . . . . .
H66A H 0.298554 0.139626 0.826619 0.085 Uiso 1 1 calc R U . . .
H66B H 0.323541 0.149532 0.875635 0.085 Uiso 1 1 calc R U . . .
H66C H 0.392600 0.128482 0.842336 0.085 Uiso 1 1 calc R U . . .
C67 C 0.8517(8) 0.2228(8) 0.8100(5) 0.039(3) Uani 1 1 d . . . . .
C68 C 0.5411(9) 0.4101(8) 0.6834(5) 0.045(4) Uani 1 1 d . . . . .
H68 H 0.528067 0.447760 0.654993 0.054 Uiso 1 1 calc R U . . .
C69 C 1.0946(9) 0.3713(8) 0.1879(6) 0.049(4) Uani 1 1 d . . . . .
C70 C 0.3889(10) 0.4848(8) 0.4658(6) 0.053(4) Uani 1 1 d . . . . .
F94 F 0.6437(12) 0.0886(7) 0.6286(4) 0.138(7) Uani 1 1 d . . . . .
C71 C 0.8792(9) 0.4637(8) 0.2043(6) 0.053(4) Uani 1 1 d . . . . .
C72 C 0.8901(9) 0.4797(8) 0.5437(6) 0.053(4) Uani 1 1 d . . . . .
C73 C 1.0401(9) 0.2920(8) 0.0642(5) 0.047(4) Uani 1 1 d . . . . .
F95 F 0.8084(16) 0.0564(9) 0.6840(5) 0.186(11) Uani 1 1 d . . . . .
C1A C 0.8343(8) 0.2264(7) 0.3103(4) 0.035(3) Uani 1 1 d . . . . .
C74 C 0.6018(8) 0.4051(7) 0.7161(5) 0.039(3) Uani 1 1 d . . . . .
C75 C 0.6219(10) 0.1195(8) 1.2110(6) 0.052(4) Uani 1 1 d . . . . .
C76 C 1.0941(9) 0.4127(7) 0.3236(5) 0.043(3) Uani 1 1 d . . . . .
C77 C 1.1712(9) 0.1261(7) 0.2890(5) 0.043(4) Uani 1 1 d . . . . .
C78 C 0.6825(10) 0.2406(11) 0.2866(6) 0.075(6) Uani 1 1 d . . . . .
H78A H 0.632129 0.275419 0.272428 0.112 Uiso 1 1 calc R U . . .
H78B H 0.678668 0.220924 0.321040 0.112 Uiso 1 1 calc R U . . .
H78C H 0.690103 0.205508 0.271504 0.112 Uiso 1 1 calc R U . . .
C79 C 0.9341(9) 0.3696(8) 0.4077(6) 0.050(4) Uani 1 1 d . . . . .
C80 C 0.5194(9) 0.4306(7) 0.4408(5) 0.042(3) Uani 1 1 d . . . . .
H80 H 0.534960 0.470492 0.438411 0.050 Uiso 1 1 calc R U . . .
F96 F 0.7172(11) 0.0489(12) 1.0832(8) 0.189(11) Uani 1 1 d . . . . .
F97 F 0.5364(10) 0.0624(10) 0.6223(5) 0.176(10) Uani 1 1 d . . . . .
C82 C 0.5902(9) 0.1104(7) 0.5513(5) 0.042(3) Uani 1 1 d . . . . .
C83 C 0.4348(10) 0.3678(8) 0.6512(5) 0.050(4) Uani 1 1 d . . . . .
C84 C 0.8530(9) 0.2100(8) 0.5767(5) 0.045(4) Uani 1 1 d . . . . .
C85 C 1.1504(11) 0.3941(8) 0.6453(6) 0.058(4) Uani 1 1 d . . . . .
C86 C 0.6297(10) 0.0786(7) 0.8499(6) 0.051(4) Uani 1 1 d . . . . .
H86 H 0.641217 0.031054 0.862030 0.062 Uiso 1 1 calc R U . . .
C87 C 0.3731(10) 0.1462(8) 0.4987(6) 0.051(4) Uani 1 1 d . . . . .
C88 C 0.5972(9) 0.1119(8) 0.8032(5) 0.044(4) Uani 1 1 d . . . . .
C89 C 0.6478(10) 0.4595(8) 0.7043(6) 0.053(4) Uani 1 1 d . . . . .
C90 C 1.4058(10) 0.2769(9) 0.3276(6) 0.053(3) Uani 1 1 d . U . . .
C91 C 1.2192(12) 0.0934(8) 0.2549(6) 0.062(5) Uani 1 1 d . . . . .
C92 C 0.5344(9) 0.4223(7) 1.0938(5) 0.042(3) Uani 1 1 d . . . . .
H92 H 0.493806 0.462015 1.077046 0.050 Uiso 1 1 calc R U . . .
F98 F 0.5550(11) 0.1274(7) 1.2793(6) 0.148(7) Uani 1 1 d . U . . .
C93 C 0.4259(11) 0.3908(10) 1.1463(7) 0.067(5) Uani 1 1 d . . . . .
C94 C 0.4465(9) 0.4236(7) 0.4582(5) 0.042(4) Uani 1 1 d . . . . .
C95 C 0.3736(9) 0.1513(8) 1.0435(5) 0.048(4) Uani 1 1 d . . . . .
H95 H 0.416470 0.118350 1.064979 0.058 Uiso 1 1 calc R U . . .
C96 C 0.1766(9) 0.2480(11) 0.8342(7) 0.067(5) Uani 1 1 d . . . . .
H96A H 0.189382 0.205761 0.860831 0.100 Uiso 1 1 calc R U . . .
H96B H 0.160880 0.240068 0.804990 0.100 Uiso 1 1 calc R U . . .
H96C H 0.131372 0.280499 0.841555 0.100 Uiso 1 1 calc R U . . .
C97 C 0.8921(11) 0.1475(8) 0.8187(7) 0.066(5) Uani 1 1 d . . . . .
H97A H 0.939124 0.132314 0.842421 0.099 Uiso 1 1 calc R U . . .
H97B H 0.910443 0.141114 0.788619 0.099 Uiso 1 1 calc R U . . .
H97C H 0.852510 0.121533 0.830627 0.099 Uiso 1 1 calc R U . . .
F99 F 1.0528(11) 0.0482(10) 0.5878(8) 0.159(8) Uani 1 1 d . . . . .
F100 F 0.6727(13) 0.0721(8) 1.2924(5) 0.132(6) Uani 1 1 d . . . . .
C98 C 0.9627(9) 0.4112(7) 0.2147(5) 0.045(4) Uani 1 1 d . . . . .
C99 C 0.8444(11) 0.1509(8) 0.3209(6) 0.057(4) Uani 1 1 d . . . . .
H99A H 0.832374 0.142322 0.291326 0.085 Uiso 1 1 calc R U . . .
H99B H 0.806603 0.135968 0.344437 0.085 Uiso 1 1 calc R U . . .
H99C H 0.900581 0.126296 0.333770 0.085 Uiso 1 1 calc R U . . .
C100 C 1.1295(9) 0.1275(6) 0.7030(5) 0.042(3) Uani 1 1 d . . . . .
C101 C -0.0802(10) 0.3898(9) 0.9040(7) 0.062(5) Uani 1 1 d . . . . .
C102 C 0.6474(11) 0.1045(9) 1.1343(6) 0.061(5) Uani 1 1 d . . . . .
C103 C 1.1245(10) 0.1154(7) 0.3691(5) 0.045(4) Uani 1 1 d . . . . .
F101 F 0.1358(18) 0.0964(10) 0.8960(7) 0.180(11) Uani 1 1 d . . . . .
C104 C 0.0242(8) 0.4253(7) 0.9401(5) 0.040(3) Uani 1 1 d . . . . .
H104 H -0.018256 0.463833 0.938770 0.048 Uiso 1 1 calc R U . . .
C105 C 0.6130(9) 0.4160(7) 1.0810(5) 0.045(4) Uani 1 1 d . . . . .
C106 C 0.6878(11) 0.0750(8) 0.9296(6) 0.058(5) Uani 1 1 d . . . . .
C107 C 0.5786(12) 0.0698(7) 0.7739(7) 0.061(5) Uani 1 1 d . . . . .
C108 C 0.8457(10) 0.1550(9) 0.6138(6) 0.055(4) Uani 1 1 d . . . . .
H108 H 0.818727 0.124694 0.607635 0.066 Uiso 1 1 calc R U . . .
C109 C 0.3642(11) 0.2176(10) 1.0991(6) 0.063(5) Uani 1 1 d . . . . .
F102 F 1.2229(12) 0.1485(7) 0.7503(7) 0.173(10) Uani 1 1 d . . . . .
C110 C 1.1674(9) 0.0880(8) 0.3362(6) 0.051(4) Uani 1 1 d . . . . .
H110 H 1.194933 0.041564 0.346522 0.061 Uiso 1 1 calc R U . . .
C111 C 0.1161(10) 0.1232(8) 0.9671(6) 0.055(4) Uani 1 1 d . . . . .
C112 C 0.1215(11) 0.4808(9) 0.9643(6) 0.059(4) Uani 1 1 d . . . . .
C113 C 0.1484(11) 0.0743(9) 1.1018(6) 0.057(4) Uani 1 1 d . . . . .
C114 C 1.0178(9) 0.4192(8) 0.1808(5) 0.048(4) Uani 1 1 d . . . . .
H114 H 1.004665 0.456955 0.152472 0.057 Uiso 1 1 calc R U . . .
F103 F 0.9354(9) 0.1748(10) 1.0285(5) 0.162(7) Uani 1 1 d . U . . .
C115 C 0.6536(10) 0.3739(8) 0.9061(7) 0.060(5) Uani 1 1 d . . . . .
C116 C 0.8573(9) 0.1365(8) 1.1633(6) 0.048(4) Uani 1 1 d . . . . .
C117 C 0.9034(9) 0.2691(7) 0.7784(5) 0.044(3) Uani 1 1 d . U . . .
C118 C 0.6347(11) 0.4730(9) 1.0465(6) 0.061(5) Uani 1 1 d . . . . .
C119 C 1.1161(12) 0.0687(8) 0.4170(6) 0.060(4) Uani 1 1 d . . . . .
C120 C 0.8634(12) 0.0812(8) 0.6987(7) 0.066(5) Uani 1 1 d . . . . .
C121 C 0.8332(10) 0.1997(10) 1.0800(6) 0.058(4) Uani 1 1 d . . . . .
C122 C 1.1416(10) 0.4671(8) 0.3110(6) 0.052(4) Uani 1 1 d . . . . .
C123 C 0.2303(12) 0.3467(9) 0.7903(6) 0.071(6) Uani 1 1 d . . . . .
H12A H 0.187276 0.376213 0.801705 0.107 Uiso 1 1 calc R U . . .
H12B H 0.211265 0.345423 0.759375 0.107 Uiso 1 1 calc R U . . .
H12C H 0.279064 0.363698 0.786672 0.107 Uiso 1 1 calc R U . . .
F104 F 0.9272(11) 0.0342(8) 0.7098(7) 0.148(6) Uani 1 1 d . U . . .
C124 C 0.9107(10) 0.0788(9) 1.2026(6) 0.057(4) Uani 1 1 d . . . . .
C125 C 0.3431(10) 0.1563(8) 0.5390(7) 0.057(4) Uani 1 1 d . . . . .
H125 H 0.316813 0.124825 0.558487 0.068 Uiso 1 1 calc R U . . .
C126 C 1.1822(14) 0.1038(8) 0.7507(8) 0.077(7) Uani 1 1 d . . . . .
C127 C 1.1504(10) 0.3800(9) 0.1474(7) 0.063(5) Uani 1 1 d . . . . .
C128 C 0.6035(10) 0.0649(8) 0.6024(5) 0.054(4) Uani 1 1 d . . . . .
C129 C 0.8121(12) 0.2230(9) 0.5278(6) 0.060(4) Uani 1 1 d . . . . .
F105 F 0.3216(14) 0.0527(9) 0.5140(8) 0.169(7) Uani 1 1 d . U . . .
F106 F 0.6303(14) 0.0087(8) 1.1202(6) 0.149(6) Uani 1 1 d . U . . .
F107 F 0.0177(15) 0.1257(11) 0.9125(10) 0.235(15) Uani 1 1 d . . . . .
C130 C 0.8774(9) 0.1451(8) 1.1180(6) 0.052(4) Uani 1 1 d . . . . .
H130 H 0.922254 0.113540 1.111731 0.063 Uiso 1 1 calc R U . . .
C131 C 0.6038(19) 0.0878(11) 1.2627(10) 0.106(9) Uani 1 1 d . . . . .
C132 C 0.9916(10) 0.2412(11) 0.7841(6) 0.074(6) Uani 1 1 d . . . . .
H13A H 1.012529 0.237240 0.816122 0.112 Uiso 1 1 calc R U . . .
H13B H 1.016954 0.270755 0.759907 0.112 Uiso 1 1 calc R U . . .
H13C H 1.004633 0.196676 0.780232 0.112 Uiso 1 1 calc R U . . .
C133 C 0.3641(13) 0.0875(10) 0.4849(9) 0.076(6) Uani 1 1 d . . . . .
C134 C 0.6912(12) 0.1075(9) 0.4366(7) 0.071(6) Uani 1 1 d . . . . .
C135 C 1.1168(13) 0.0623(8) 0.5995(6) 0.063(5) Uani 1 1 d . . . . .
C136 C 0.0895(16) 0.0922(10) 0.9313(8) 0.085(7) Uani 1 1 d . . . . .
C137 C 0.8767(14) 0.3381(10) 0.7817(7) 0.077(6) Uani 1 1 d . . . . .
H13D H 0.817027 0.351907 0.780623 0.116 Uiso 1 1 calc R U . . .
H13E H 0.895440 0.369294 0.754852 0.116 Uiso 1 1 calc R U . . .
H13F H 0.900169 0.338553 0.811926 0.116 Uiso 1 1 calc R U . . .
C138 C 0.7314(13) 0.3427(9) 0.2808(6) 0.074(6) Uani 1 1 d . . . . .
H13G H 0.778442 0.361638 0.273770 0.110 Uiso 1 1 calc R U . . .
H13H H 0.715723 0.342199 0.312889 0.110 Uiso 1 1 calc R U . . .
H13I H 0.685548 0.370144 0.257145 0.110 Uiso 1 1 calc R U . . .
C139 C 0.6467(17) 0.0657(10) 1.1006(9) 0.090(7) Uani 1 1 d . . . . .
C140 C 1.3911(13) 0.1566(11) 0.3401(9) 0.092(6) Uani 1 1 d . U . . .
H14A H 1.412886 0.150064 0.372487 0.139 Uiso 1 1 calc R U . . .
H14B H 1.435292 0.139662 0.322239 0.139 Uiso 1 1 calc R U . . .
H14C H 1.349173 0.132151 0.342011 0.139 Uiso 1 1 calc R U . . .
C141 C 1.3511(11) 0.2358(10) 0.3130(7) 0.069(4) Uani 1 1 d . U . . .
C142 C 0.8641(12) 0.2093(12) 1.0310(7) 0.072(5) Uani 1 1 d . U . . .
C143 C 1.3795(16) 0.3465(12) 0.2907(9) 0.102(6) Uani 1 1 d . U . . .
H14D H 1.321815 0.356368 0.279857 0.153 Uiso 1 1 calc R U . . .
H14E H 1.412662 0.348184 0.263401 0.153 Uiso 1 1 calc R U . . .
H14F H 1.387008 0.379737 0.305194 0.153 Uiso 1 1 calc R U . . .
C144 C 1.4879(13) 0.2433(13) 0.3376(8) 0.096(6) Uani 1 1 d . U . . .
H14G H 1.516468 0.268896 0.350651 0.143 Uiso 1 1 calc R U . . .
H14H H 1.511377 0.238504 0.308191 0.143 Uiso 1 1 calc R U . . .
H14I H 1.493896 0.198789 0.361165 0.143 Uiso 1 1 calc R U . . .
C145 C 0.3106(13) 0.2184(12) 0.5971(8) 0.077(6) Uani 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
Tb6 O3 2.355(8) . ?
Tb6 O8 2.358(9) . ?
Tb6 O15 2.374(9) . ?
Tb6 O17 2.365(8) . ?
Tb6 O18 2.360(10) . ?
Tb6 O1A 2.368(8) . ?
Tb6 O37 2.372(9) . ?
Tb6 O43 2.357(8) . ?
Tb3 O2 2.375(10) . ?
Tb3 O4 2.355(8) . ?
Tb3 O7 2.353(8) . ?
Tb3 O9 2.375(8) . ?
Tb3 O13 2.357(11) . ?
Tb3 O16 2.356(9) . ?
Tb3 O22 2.373(9) . ?
Tb3 O23 2.384(8) . ?
Tb2 O6 2.388(9) . ?
Tb2 O20 2.364(9) . ?
Tb2 O21 2.338(9) . ?
Tb2 O28 2.356(9) . ?
Tb2 O35 2.362(11) . ?
Tb2 O36 2.370(10) . ?
Tb2 O42 2.370(9) . ?
Tb2 N9 2.540(11) 1_456 ?
Tb5 O5 2.372(10) . ?
Tb5 O10 2.380(8) 1_455 ?
Tb5 O27 2.367(10) . ?
Tb5 O29 2.357(9) . ?
Tb5 O31 2.350(9) . ?
Tb5 O32 2.343(9) . ?
Tb5 O33 2.351(10) . ?
Tb5 N10 2.526(13) . ?
Tb4 O1 2.381(8) . ?
Tb4 O11 2.334(9) . ?
Tb4 O12 2.350(9) . ?
Tb4 O14 2.361(9) . ?
Tb4 O19 2.355(9) . ?
Tb4 O26 2.360(9) . ?
Tb4 O41 2.323(9) . ?
Tb4 N8 2.541(12) . ?
Tb1 O24 2.369(9) . ?
Tb1 O25 2.359(10) . ?
Tb1 O30 2.373(9) . ?
Tb1 O34 2.381(9) 1_556 ?
Tb1 O38 2.357(10) . ?
Tb1 O39 2.351(12) . ?
Tb1 O40 2.372(11) . ?
Tb1 N12 2.550(12) . ?
O1 N3 1.313(13) . ?
F1 C85 1.342(19) . ?
O2 C88 1.243(17) . ?
F2 C70 1.309(18) . ?
F3 C56 1.30(2) . ?
O3 C55 1.256(15) . ?
F4 C71 1.314(18) . ?
F5 C49 1.345(19) . ?
F6 C72 1.350(18) . ?
O4 C52 1.265(17) . ?
F7 C93 1.32(2) . ?
O5 C30 1.233(16) . ?
F8 C112 1.356(19) . ?
F9 C89 1.310(18) . ?
O6 N1 1.326(12) . ?
F10 C122 1.334(19) . ?
O7 N2 1.323(12) . ?
F11 C71 1.312(18) . ?
O8 C69 1.230(18) . ?
O9 C45 1.260(16) . ?
F12 C71 1.35(2) . ?
F13 C106 1.334(19) . ?
F14 C34 1.283(18) . ?
F15 C49 1.327(19) . ?
F16 C70 1.337(19) . ?
O10 N6 1.284(13) . ?
F17 C106 1.344(18) . ?
O11 C84 1.257(17) . ?
O12 C53 1.265(18) . ?
O13 C74 1.243(16) . ?
O14 C39 1.249(18) . ?
F18 C122 1.298(19) . ?
F19 C118 1.338(19) . ?
O15 C98 1.241(17) . ?
O16 C33 1.231(16) . ?
O17 N4 1.279(13) . ?
O18 C76 1.241(17) . ?
F20 C113 1.347(18) . ?
O19 C65 1.232(18) . ?
O20 C36 1.270(17) . ?
F21 C34 1.37(2) . ?
F22 C89 1.326(18) . ?
C1 H1 0.9500 . ?
C1 C40 1.3900 . ?
C1 C11 1.3900 . ?
C40 C81 1.3900 . ?
C40 C37 1.376(14) . ?
C81 H81 0.9500 . ?
C81 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C10 1.3900 . ?
C10 C11 1.3900 . ?
C10 C19 1.473(13) . ?
C11 H11 0.9500 . ?
F23 C89 1.360(18) . ?
O21 C46 1.242(17) . ?
O22 C63 1.242(17) . ?
O1A N7 1.306(15) . ?
O23 N11 1.310(14) . ?
N1 C19 1.280(16) . ?
N1 C62 1.523(15) . ?
O24 C116 1.242(18) . ?
F24 C112 1.369(19) . ?
F25 C101 1.35(2) . ?
O25 C121 1.221(19) . ?
O26 C18 1.224(17) . ?
F26 C49 1.331(19) . ?
O27 C82 1.249(16) . ?
O28 C17 1.256(16) . ?
O29 C41 1.237(19) . ?
O30 C51 1.238(17) . ?
F27 C72 1.338(19) . ?
O31 C94 1.262(18) . ?
O32 C47 1.206(16) . ?
F28 C122 1.350(18) . ?
O33 C87 1.27(2) . ?
O34 N5 1.286(13) . ?
O35 C59 1.216(19) . ?
O36 C111 1.233(19) . ?
O37 C103 1.242(17) . ?
O38 C105 1.283(17) . ?
N2 C19 1.331(15) . ?
N2 C28 1.511(16) . ?
O39 C75 1.226(19) . ?
O40 C102 1.24(2) . ?
O41 C100 1.251(16) . ?
F29 C134 1.30(2) . ?
F30 C34 1.308(17) . ?
F31 C91 1.292(19) . ?
O42 C42 1.249(16) . ?
F32 C118 1.34(2) . ?
F33 C101 1.30(2) . ?
F34 C124 1.31(2) . ?
O43 C77 1.233(17) . ?
F35 C106 1.31(2) . ?
F36 C91 1.35(2) . ?
F37 C107 1.32(2) . ?
F38 C107 1.322(18) . ?
F39 C101 1.34(2) . ?
F40 C113 1.33(2) . ?
N3 C32 1.250(17) . ?
N3 C117 1.535(17) . ?
F41 C113 1.30(2) . ?
F42 C145 1.31(2) . ?
F43 C79 1.32(2) . ?
F44 C126 1.324(19) . ?
F45 C145 1.26(2) . ?
F46 C56 1.31(2) . ?
F47 C120 1.25(2) . ?
F48 C119 1.32(2) . ?
F49 C128 1.302(18) . ?
F50 C115 1.30(2) . ?
F51 C142 1.27(3) . ?
N4 C31 1.352(16) . ?
N4 C1A 1.501(16) . ?
N5 C31 1.332(16) . ?
N5 C57 1.488(17) . ?
F52 C72 1.29(2) . ?
F53 C79 1.287(17) . ?
F54 C56 1.32(2) . ?
F1A C93 1.30(2) . ?
F55 C93 1.36(2) . ?
F56 C109 1.28(2) . ?
F57 C85 1.30(2) . ?
N6 C35 1.355(17) . ?
N6 C90 1.493(18) . ?
F58 C129 1.31(2) . ?
F59 C83 1.30(2) . ?
F60 C85 1.33(2) . ?
F61 C83 1.280(19) . ?
F62 C129 1.31(2) . ?
F63 C119 1.32(2) . ?
F64 C112 1.28(2) . ?
F65 C83 1.310(18) . ?
F66 C79 1.294(19) . ?
F67 C124 1.33(2) . ?
N7 C35 1.334(16) . ?
N7 C141 1.49(2) . ?
N8 C58 1.132(17) . ?
F68 C129 1.33(2) . ?
F69 C119 1.355(19) . ?
F70 C118 1.32(2) . ?
F71 C109 1.37(2) . ?
F72 C70 1.30(2) . ?
F73 C115 1.28(2) . ?
F74 C127 1.28(2) . ?
F75 C135 1.30(2) . ?
F76 C142 1.27(2) . ?
F77 C133 1.28(2) . ?
C6 H6 0.9500 . ?
C6 C23 1.3900 . ?
C6 C16 1.3900 . ?
C23 H23 0.9500 . ?
C23 C8 1.3900 . ?
C8 C3 1.3900 . ?
C8 C27 1.374(14) . ?
C3 H3 0.9500 . ?
C3 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C16 1.3900 . ?
C16 C32 1.520(12) . ?
F78 C91 1.28(2) . ?
F79 C107 1.33(2) . ?
F80 C115 1.30(2) . ?
F81 C135 1.28(2) . ?
F82 C109 1.29(2) . ?
N9 C73 1.125(18) . ?
N10 C27 1.163(17) . ?
F83 C139 1.29(2) . ?
N11 C32 1.303(17) . ?
N11 C67 1.518(16) . ?
F84 C124 1.31(2) . ?
F85 C134 1.31(3) . ?
F86 C145 1.33(2) . ?
C14 H14 0.9500 . ?
C14 C53 1.36(2) . ?
C14 C100 1.39(2) . ?
F87 C127 1.28(2) . ?
C17 C101 1.51(2) . ?
C17 C104 1.38(2) . ?
C18 C108 1.37(2) . ?
C18 C120 1.55(2) . ?
N12 C37 1.173(17) . ?
F88 C131 1.30(3) . ?
F89 C127 1.30(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C67 1.473(19) . ?
C21 H21 0.9500 . ?
C21 C47 1.41(2) . ?
C21 C82 1.40(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C1A 1.486(18) . ?
C26 H26 0.9500 . ?
C26 C54 1.3900 . ?
C26 C44 1.3900 . ?
C54 H54 0.9500 . ?
C54 C5 1.3900 . ?
C5 C4 1.3900 . ?
C5 C58 1.418(16) . ?
C4 H4 0.9500 . ?
C4 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C44 1.3900 . ?
C44 C35 1.466(13) . ?
C28 C50 1.45(2) . ?
C28 C62 1.565(17) . ?
C28 C66 1.52(2) . ?
C29 H29 0.9500 . ?
C29 C55 1.36(2) . ?
C29 C76 1.38(2) . ?
C30 C56 1.54(2) . ?
C30 C80 1.430(19) . ?
C31 C12 1.484(14) . ?
F90 C134 1.33(2) . ?
C33 C48 1.391(19) . ?
C33 C115 1.54(2) . ?
C34 C45 1.526(19) . ?
C36 C104 1.39(2) . ?
C36 C112 1.49(2) . ?
C38 H38 0.9500 . ?
C38 C59 1.39(2) . ?
C38 C111 1.39(2) . ?
C39 C64 1.41(2) . ?
C39 C85 1.54(2) . ?
C41 C125 1.39(2) . ?
C41 C145 1.48(3) . ?
C42 C49 1.527(19) . ?
C42 C95 1.38(2) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 C141 1.41(2) . ?
C45 C48 1.387(19) . ?
C46 C95 1.42(2) . ?
C46 C109 1.48(2) . ?
C47 C134 1.53(2) . ?
C48 H48 0.9500 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C92 1.40(2) . ?
C51 C93 1.52(2) . ?
C52 C68 1.37(2) . ?
C52 C83 1.548(19) . ?
F91 C126 1.29(3) . ?
C53 C135 1.53(2) . ?
F92 C133 1.31(3) . ?
C55 C79 1.534(19) . ?
C57 C1A 1.563(19) . ?
C57 C78 1.51(2) . ?
C57 C138 1.53(2) . ?
C59 C113 1.55(2) . ?
C60 C22 1.3900 . ?
C60 C2 1.3900 . ?
C60 C73 1.418(17) . ?
C22 H22 0.9500 . ?
C22 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C2 1.3900 . ?
C2 H2 0.9500 . ?
C61 H61 0.9500 . ?
C61 C75 1.38(2) . ?
C61 C102 1.35(3) . ?
C62 C96 1.52(2) . ?
C62 C123 1.53(2) . ?
C63 C86 1.41(2) . ?
C63 C106 1.53(2) . ?
F93 C136 1.27(2) . ?
C64 H64 0.9500 . ?
C64 C65 1.38(2) . ?
C65 C72 1.52(2) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C97 1.55(2) . ?
C67 C117 1.58(2) . ?
C68 H68 0.9500 . ?
C68 C74 1.37(2) . ?
C69 C114 1.42(2) . ?
C69 C127 1.52(2) . ?
C70 C94 1.521(19) . ?
F94 C128 1.33(2) . ?
C71 C98 1.543(19) . ?
F95 C120 1.32(2) . ?
C1A C99 1.54(2) . ?
C74 C89 1.53(2) . ?
C75 C131 1.53(3) . ?
C76 C122 1.55(2) . ?
C77 C91 1.53(2) . ?
C77 C110 1.39(2) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C80 H80 0.9500 . ?
C80 C94 1.36(2) . ?
F96 C139 1.31(3) . ?
F97 C128 1.29(2) . ?
C82 C128 1.51(2) . ?
C84 C108 1.38(2) . ?
C84 C129 1.52(2) . ?
C86 H86 0.9500 . ?
C86 C88 1.38(2) . ?
C87 C125 1.35(2) . ?
C87 C133 1.50(2) . ?
C88 C107 1.52(2) . ?
C90 C141 1.58(2) . ?
C90 C143 1.52(3) . ?
C90 C144 1.39(2) . ?
C92 H92 0.9500 . ?
C92 C105 1.37(2) . ?
F98 C131 1.26(2) . ?
C95 H95 0.9500 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
F99 C135 1.28(2) . ?
F100 C131 1.37(3) . ?
C98 C114 1.37(2) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C126 1.54(2) . ?
C102 C139 1.49(3) . ?
C103 C110 1.41(2) . ?
C103 C119 1.49(2) . ?
F101 C136 1.30(3) . ?
C104 H104 0.9500 . ?
C105 C118 1.47(2) . ?
C108 H108 0.9500 . ?
F102 C126 1.32(2) . ?
C110 H110 0.9500 . ?
C111 C136 1.54(2) . ?
C114 H114 0.9500 . ?
F103 C142 1.27(2) . ?
C116 C124 1.51(2) . ?
C116 C130 1.35(2) . ?
C117 C132 1.46(2) . ?
C117 C137 1.49(2) . ?
C120 F104 1.25(2) . ?
C121 C130 1.40(2) . ?
C121 C142 1.51(3) . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C125 H125 0.9500 . ?
F105 C133 1.30(3) . ?
F106 C139 1.29(3) . ?
F107 C136 1.28(3) . ?
C130 H130 0.9500 . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C137 H13D 0.9800 . ?
C137 H13E 0.9800 . ?
C137 H13F 0.9800 . ?
C138 H13G 0.9800 . ?
C138 H13H 0.9800 . ?
C138 H13I 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C140 C141 1.62(3) . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C144 H14G 0.9800 . ?
C144 H14H 0.9800 . ?
C144 H14I 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
O3 Tb6 O8 139.8(3) . . ?
O3 Tb6 O15 78.0(3) . . ?
O3 Tb6 O17 89.7(3) . . ?
O3 Tb6 O18 72.3(3) . . ?
O3 Tb6 O1A 103.3(3) . . ?
O3 Tb6 O37 76.6(3) . . ?
O3 Tb6 O43 148.3(3) . . ?
O8 Tb6 O15 72.3(3) . . ?
O8 Tb6 O17 106.5(3) . . ?
O8 Tb6 O18 76.1(3) . . ?
O8 Tb6 O1A 89.8(3) . . ?
O8 Tb6 O37 143.1(3) . . ?
O8 Tb6 O43 71.8(3) . . ?
O17 Tb6 O15 72.9(3) . . ?
O17 Tb6 O1A 136.9(3) . . ?
O17 Tb6 O37 72.0(3) . . ?
O18 Tb6 O15 79.6(3) . . ?
O18 Tb6 O17 149.8(3) . . ?
O18 Tb6 O1A 72.3(4) . . ?
O18 Tb6 O37 124.2(3) . . ?
O1A Tb6 O15 149.7(4) . . ?
O1A Tb6 O37 71.4(4) . . ?
O37 Tb6 O15 136.4(3) . . ?
O43 Tb6 O15 121.0(3) . . ?
O43 Tb6 O17 74.5(3) . . ?
O43 Tb6 O18 132.3(3) . . ?
O43 Tb6 O1A 73.3(3) . . ?
O43 Tb6 O37 72.5(3) . . ?
O2 Tb3 O9 133.4(3) . . ?
O2 Tb3 O23 72.3(3) . . ?
O4 Tb3 O2 74.1(3) . . ?
O4 Tb3 O9 76.5(3) . . ?
O4 Tb3 O13 72.4(3) . . ?
O4 Tb3 O22 145.9(3) . . ?
O4 Tb3 O23 104.4(3) . . ?
O7 Tb3 O2 72.3(3) . . ?
O7 Tb3 O4 91.0(3) . . ?
O7 Tb3 O9 72.9(3) . . ?
O7 Tb3 O13 150.3(3) . . ?
O7 Tb3 O16 103.1(3) . . ?
O7 Tb3 O22 72.1(3) . . ?
O7 Tb3 O23 135.4(3) . . ?
O9 Tb3 O23 151.1(3) . . ?
O13 Tb3 O2 123.4(3) . . ?
O13 Tb3 O9 79.3(3) . . ?
O13 Tb3 O22 134.1(3) . . ?
O13 Tb3 O23 73.7(3) . . ?
O16 Tb3 O2 146.1(3) . . ?
O16 Tb3 O4 139.7(3) . . ?
O16 Tb3 O9 72.1(3) . . ?
O16 Tb3 O13 77.4(3) . . ?
O16 Tb3 O22 74.1(3) . . ?
O16 Tb3 O23 91.7(3) . . ?
O22 Tb3 O2 72.6(3) . . ?
O22 Tb3 O9 123.3(3) . . ?
O22 Tb3 O23 72.0(3) . . ?
O6 Tb2 N9 140.5(3) . 1_456 ?
O20 Tb2 O6 71.4(3) . . ?
O20 Tb2 O36 145.6(3) . . ?
O20 Tb2 O42 125.2(3) . . ?
O20 Tb2 N9 72.4(4) . 1_456 ?
O21 Tb2 O6 104.8(3) . . ?
O21 Tb2 O20 76.9(3) . . ?
O21 Tb2 O28 145.3(3) . . ?
O21 Tb2 O35 74.8(4) . . ?
O21 Tb2 O36 137.5(3) . . ?
O21 Tb2 O42 73.3(3) . . ?
O21 Tb2 N9 81.7(4) . 1_456 ?
O28 Tb2 O6 81.4(3) . . ?
O28 Tb2 O20 72.9(3) . . ?
O28 Tb2 O35 115.5(4) . . ?
O28 Tb2 O36 74.4(3) . . ?
O28 Tb2 O42 139.4(3) . . ?
O28 Tb2 N9 73.3(3) . 1_456 ?
O35 Tb2 O6 151.6(3) . . ?
O35 Tb2 O20 133.8(3) . . ?
O35 Tb2 O36 71.3(4) . . ?
O35 Tb2 O42 79.7(3) . . ?
O35 Tb2 N9 67.9(4) . 1_456 ?
O36 Tb2 O6 93.6(3) . . ?
O36 Tb2 O42 76.0(3) . . ?
O36 Tb2 N9 107.8(4) . 1_456 ?
O42 Tb2 O6 73.3(3) . . ?
O42 Tb2 N9 143.3(4) . 1_456 ?
O5 Tb5 O10 78.9(3) . 1_455 ?
O5 Tb5 N10 74.1(4) . . ?
O10 Tb5 N10 142.1(4) 1_455 . ?
O27 Tb5 O5 120.3(3) . . ?
O27 Tb5 O10 148.9(3) . 1_455 ?
O27 Tb5 N10 69.0(4) . . ?
O29 Tb5 O5 145.9(3) . . ?
O29 Tb5 O10 106.1(3) . 1_455 ?
O29 Tb5 O27 72.5(3) . . ?
O29 Tb5 N10 83.4(4) . . ?
O31 Tb5 O5 73.0(3) . . ?
O31 Tb5 O10 73.4(3) . 1_455 ?
O31 Tb5 O27 133.1(3) . . ?
O31 Tb5 O29 76.2(3) . . ?
O31 Tb5 N10 73.5(3) . . ?
O32 Tb5 O5 73.1(3) . . ?
O32 Tb5 O10 94.2(3) . 1_455 ?
O32 Tb5 O27 71.5(3) . . ?
O32 Tb5 O29 138.1(3) . . ?
O32 Tb5 O31 145.6(4) . . ?
O32 Tb5 O33 78.3(3) . . ?
O32 Tb5 N10 102.8(4) . . ?
O33 Tb5 O5 137.8(3) . . ?
O33 Tb5 O10 73.0(3) . 1_455 ?
O33 Tb5 O27 77.1(3) . . ?
O33 Tb5 O29 73.5(3) . . ?
O33 Tb5 O31 125.4(3) . . ?
O33 Tb5 N10 143.4(4) . . ?
O1 Tb4 N8 143.5(3) . . ?
O11 Tb4 O1 107.3(3) . . ?
O11 Tb4 O12 75.1(3) . . ?
O11 Tb4 O14 143.9(3) . . ?
O11 Tb4 O19 76.3(3) . . ?
O11 Tb4 O26 73.0(3) . . ?
O11 Tb4 N8 79.9(4) . . ?
O12 Tb4 O1 147.2(3) . . ?
O12 Tb4 O14 116.5(3) . . ?
O12 Tb4 O19 135.8(3) . . ?
O12 Tb4 O26 76.7(3) . . ?
O12 Tb4 N8 69.2(4) . . ?
O14 Tb4 O1 81.4(3) . . ?
O14 Tb4 O26 141.2(3) . . ?
O14 Tb4 N8 74.0(4) . . ?
O19 Tb4 O1 74.0(3) . . ?
O19 Tb4 O14 72.7(3) . . ?
O19 Tb4 O26 124.9(3) . . ?
O19 Tb4 N8 73.2(3) . . ?
O26 Tb4 O1 73.1(3) . . ?
O26 Tb4 N8 140.8(3) . . ?
O41 Tb4 O1 89.6(3) . . ?
O41 Tb4 O11 140.7(3) . . ?
O41 Tb4 O12 72.1(3) . . ?
O41 Tb4 O14 72.2(3) . . ?
O41 Tb4 O19 143.1(3) . . ?
O41 Tb4 O26 78.8(3) . . ?
O41 Tb4 N8 107.5(4) . . ?
O24 Tb1 O30 141.8(3) . . ?
O24 Tb1 O34 73.6(3) . 1_556 ?
O24 Tb1 O40 80.0(4) . . ?
O24 Tb1 N12 142.6(4) . . ?
O25 Tb1 O24 72.6(3) . . ?
O25 Tb1 O30 143.6(3) . . ?
O25 Tb1 O34 108.3(3) . 1_556 ?
O25 Tb1 O40 75.5(4) . . ?
O25 Tb1 N12 79.6(4) . . ?
O30 Tb1 O34 80.5(3) . 1_556 ?
O30 Tb1 N12 72.8(4) . . ?
O34 Tb1 N12 140.4(4) 1_556 . ?
O38 Tb1 O24 123.0(4) . . ?
O38 Tb1 O25 76.0(4) . . ?
O38 Tb1 O30 73.2(4) . . ?
O38 Tb1 O34 72.9(3) . 1_556 ?
O38 Tb1 O40 134.6(4) . . ?
O38 Tb1 N12 71.7(4) . . ?
O39 Tb1 O24 76.1(4) . . ?
O39 Tb1 O25 137.5(4) . . ?
O39 Tb1 O30 75.9(4) . . ?
O39 Tb1 O34 89.2(4) . 1_556 ?
O39 Tb1 O38 146.3(4) . . ?
O39 Tb1 O40 71.4(4) . . ?
O39 Tb1 N12 111.4(4) . . ?
O40 Tb1 O30 114.5(4) . . ?
O40 Tb1 O34 150.4(3) . 1_556 ?
O40 Tb1 N12 69.0(4) . . ?
N3 O1 Tb4 137.8(7) . . ?
C88 O2 Tb3 135.3(9) . . ?
C55 O3 Tb6 133.7(8) . . ?
C52 O4 Tb3 133.2(8) . . ?
C30 O5 Tb5 133.0(9) . . ?
N1 O6 Tb2 135.7(7) . . ?
N2 O7 Tb3 142.8(7) . . ?
C69 O8 Tb6 135.7(8) . . ?
C45 O9 Tb3 134.4(8) . . ?
N6 O10 Tb5 137.5(8) . 1_655 ?
C84 O11 Tb4 132.5(9) . . ?
C53 O12 Tb4 136.2(9) . . ?
C74 O13 Tb3 134.2(9) . . ?
C39 O14 Tb4 131.6(9) . . ?
C98 O15 Tb6 133.2(9) . . ?
C33 O16 Tb3 135.2(8) . . ?
N4 O17 Tb6 143.3(8) . . ?
C76 O18 Tb6 133.9(9) . . ?
C65 O19 Tb4 132.8(9) . . ?
C36 O20 Tb2 132.5(9) . . ?
C40 C1 H1 120.0 . . ?
C40 C1 C11 120.0 . . ?
C11 C1 H1 120.0 . . ?
C81 C40 C1 120.0 . . ?
C37 C40 C1 117.2(7) . . ?
C37 C40 C81 122.7(7) . . ?
C40 C81 H81 120.0 . . ?
C15 C81 C40 120.0 . . ?
C15 C81 H81 120.0 . . ?
C81 C15 H15 120.0 . . ?
C10 C15 C81 120.0 . . ?
C10 C15 H15 120.0 . . ?
C15 C10 C11 120.0 . . ?
C15 C10 C19 120.8(7) . . ?
C11 C10 C19 119.0(7) . . ?
C1 C11 H11 120.0 . . ?
C10 C11 C1 120.0 . . ?
C10 C11 H11 120.0 . . ?
C46 O21 Tb2 133.0(9) . . ?
C63 O22 Tb3 134.2(9) . . ?
N7 O1A Tb6 143.1(9) . . ?
N11 O23 Tb3 139.5(8) . . ?
O6 N1 C62 117.0(9) . . ?
C19 N1 O6 127.7(10) . . ?
C19 N1 C62 114.7(10) . . ?
C116 O24 Tb1 131.2(9) . . ?
C121 O25 Tb1 131.3(11) . . ?
C18 O26 Tb4 130.7(9) . . ?
C82 O27 Tb5 135.5(9) . . ?
C17 O28 Tb2 131.0(8) . . ?
C41 O29 Tb5 131.5(9) . . ?
C51 O30 Tb1 131.3(10) . . ?
C94 O31 Tb5 132.6(9) . . ?
C47 O32 Tb5 137.9(10) . . ?
C87 O33 Tb5 130.8(9) . . ?
N5 O34 Tb1 138.9(8) . 1_554 ?
C59 O35 Tb2 135.2(10) . . ?
C111 O36 Tb2 135.8(10) . . ?
C103 O37 Tb6 133.4(9) . . ?
C105 O38 Tb1 132.2(9) . . ?
O7 N2 C19 126.2(9) . . ?
O7 N2 C28 117.5(9) . . ?
C19 N2 C28 115.4(10) . . ?
C75 O39 Tb1 135.4(11) . . ?
C102 O40 Tb1 136.7(11) . . ?
C100 O41 Tb4 134.4(9) . . ?
C42 O42 Tb2 129.8(9) . . ?
C77 O43 Tb6 136.9(9) . . ?
O1 N3 C117 117.2(10) . . ?
C32 N3 O1 128.7(10) . . ?
C32 N3 C117 113.6(10) . . ?
O17 N4 C31 126.5(10) . . ?
O17 N4 C1A 120.2(10) . . ?
C31 N4 C1A 112.6(10) . . ?
O34 N5 C31 125.7(10) . . ?
O34 N5 C57 121.1(10) . . ?
C31 N5 C57 112.4(10) . . ?
O10 N6 C35 124.5(10) . . ?
O10 N6 C90 122.1(11) . . ?
C35 N6 C90 113.3(10) . . ?
O1A N7 C35 125.3(11) . . ?
O1A N7 C141 116.6(11) . . ?
C35 N7 C141 115.7(12) . . ?
C58 N8 Tb4 165.5(11) . . ?
C23 C6 H6 120.0 . . ?
C23 C6 C16 120.0 . . ?
C16 C6 H6 120.0 . . ?
C6 C23 H23 120.0 . . ?
C8 C23 C6 120.0 . . ?
C8 C23 H23 120.0 . . ?
C23 C8 C3 120.0 . . ?
C27 C8 C23 121.0(8) . . ?
C27 C8 C3 119.0(8) . . ?
C8 C3 H3 120.0 . . ?
C24 C3 C8 120.0 . . ?
C24 C3 H3 120.0 . . ?
C3 C24 H24 120.0 . . ?
C16 C24 C3 120.0 . . ?
C16 C24 H24 120.0 . . ?
C6 C16 C32 119.7(7) . . ?
C24 C16 C6 120.0 . . ?
C24 C16 C32 120.2(7) . . ?
C73 N9 Tb2 163.7(12) . 1_654 ?
C27 N10 Tb5 165.9(12) . . ?
O23 N11 C67 116.1(10) . . ?
C32 N11 O23 130.6(10) . . ?
C32 N11 C67 111.9(10) . . ?
C53 C14 H14 120.3 . . ?
C53 C14 C100 119.3(14) . . ?
C100 C14 H14 120.3 . . ?
O28 C17 C101 114.7(13) . . ?
O28 C17 C104 128.5(13) . . ?
C104 C17 C101 116.8(12) . . ?
O26 C18 C108 129.9(15) . . ?
O26 C18 C120 113.0(14) . . ?
C108 C18 C120 117.0(15) . . ?
C37 N12 Tb1 164.4(11) . . ?
N1 C19 C10 127.9(11) . . ?
N1 C19 N2 106.1(10) . . ?
N2 C19 C10 126.0(10) . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C67 C20 H20A 109.5 . . ?
C67 C20 H20B 109.5 . . ?
C67 C20 H20C 109.5 . . ?
C47 C21 H21 120.3 . . ?
C82 C21 H21 120.3 . . ?
C82 C21 C47 119.5(13) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C1A C25 H25A 109.5 . . ?
C1A C25 H25B 109.5 . . ?
C1A C25 H25C 109.5 . . ?
C54 C26 H26 120.0 . . ?
C54 C26 C44 120.0 . . ?
C44 C26 H26 120.0 . . ?
C26 C54 H54 120.0 . . ?
C26 C54 C5 120.0 . . ?
C5 C54 H54 120.0 . . ?
C54 C5 C4 120.0 . . ?
C54 C5 C58 123.6(7) . . ?
C4 C5 C58 116.4(7) . . ?
C5 C4 H4 120.0 . . ?
C7 C4 C5 120.0 . . ?
C7 C4 H4 120.0 . . ?
C4 C7 H7 120.0 . . ?
C44 C7 C4 120.0 . . ?
C44 C7 H7 120.0 . . ?
C26 C44 C35 119.3(7) . . ?
C7 C44 C26 120.0 . . ?
C7 C44 C35 120.6(7) . . ?
N10 C27 C8 176.4(16) . . ?
N2 C28 C62 96.7(9) . . ?
N2 C28 C66 104.2(11) . . ?
C50 C28 N2 113.5(11) . . ?
C50 C28 C62 116.4(12) . . ?
C50 C28 C66 112.4(12) . . ?
C66 C28 C62 111.9(13) . . ?
C55 C29 H29 119.2 . . ?
C55 C29 C76 121.7(13) . . ?
C76 C29 H29 119.2 . . ?
O5 C30 C56 116.0(12) . . ?
O5 C30 C80 126.7(15) . . ?
C80 C30 C56 117.3(13) . . ?
N4 C31 C12 124.9(10) . . ?
N5 C31 N4 107.6(11) . . ?
N5 C31 C12 127.4(10) . . ?
N3 C32 C16 127.0(12) . . ?
N3 C32 N11 110.9(10) . . ?
N11 C32 C16 122.1(11) . . ?
O16 C33 C48 128.1(12) . . ?
O16 C33 C115 114.9(12) . . ?
C48 C33 C115 117.0(12) . . ?
F14 C34 F21 107.0(13) . . ?
F14 C34 F30 111.0(13) . . ?
F14 C34 C45 112.6(13) . . ?
F21 C34 C45 107.9(12) . . ?
F30 C34 F21 104.5(14) . . ?
F30 C34 C45 113.2(12) . . ?
N6 C35 C44 127.6(10) . . ?
N7 C35 N6 106.0(10) . . ?
N7 C35 C44 126.3(11) . . ?
O20 C36 C104 125.2(14) . . ?
O20 C36 C112 114.7(13) . . ?
C104 C36 C112 120.1(13) . . ?
N12 C37 C40 176.4(14) . . ?
C59 C38 H38 121.1 . . ?
C111 C38 H38 121.1 . . ?
C111 C38 C59 117.8(16) . . ?
O14 C39 C64 128.7(14) . . ?
O14 C39 C85 116.1(13) . . ?
C64 C39 C85 115.1(14) . . ?
O29 C41 C125 127.2(15) . . ?
O29 C41 C145 113.5(15) . . ?
C125 C41 C145 119.4(17) . . ?
O42 C42 C49 112.4(12) . . ?
O42 C42 C95 129.2(13) . . ?
C95 C42 C49 118.4(13) . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C141 C43 H43A 109.5 . . ?
C141 C43 H43B 109.5 . . ?
C141 C43 H43C 109.5 . . ?
O9 C45 C34 113.4(11) . . ?
O9 C45 C48 127.2(12) . . ?
C48 C45 C34 119.4(12) . . ?
O21 C46 C95 125.9(13) . . ?
O21 C46 C109 116.5(14) . . ?
C95 C46 C109 117.6(14) . . ?
O32 C47 C21 127.7(13) . . ?
O32 C47 C134 115.7(14) . . ?
C21 C47 C134 116.5(13) . . ?
C33 C48 H48 119.3 . . ?
C45 C48 C33 121.3(13) . . ?
C45 C48 H48 119.3 . . ?
F5 C49 C42 111.9(12) . . ?
F15 C49 F5 104.4(13) . . ?
F15 C49 C42 110.9(13) . . ?
F26 C49 F5 106.7(14) . . ?
F26 C49 F15 109.2(13) . . ?
F26 C49 C42 113.2(13) . . ?
C28 C50 H50A 109.5 . . ?
C28 C50 H50B 109.5 . . ?
C28 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O30 C51 C92 128.1(14) . . ?
O30 C51 C93 114.5(14) . . ?
C92 C51 C93 117.4(13) . . ?
O4 C52 C68 128.1(12) . . ?
O4 C52 C83 112.0(12) . . ?
C68 C52 C83 119.8(13) . . ?
O12 C53 C14 127.3(14) . . ?
O12 C53 C135 113.6(15) . . ?
C14 C53 C135 119.0(14) . . ?
O3 C55 C29 128.4(12) . . ?
O3 C55 C79 113.7(12) . . ?
C29 C55 C79 117.9(12) . . ?
F3 C56 F46 108.0(15) . . ?
F3 C56 F54 107.6(17) . . ?
F3 C56 C30 111.3(15) . . ?
F46 C56 F54 109.9(18) . . ?
F46 C56 C30 108.3(16) . . ?
F54 C56 C30 111.6(14) . . ?
N5 C57 C1A 100.4(10) . . ?
N5 C57 C78 108.7(12) . . ?
N5 C57 C138 107.1(13) . . ?
C78 C57 C1A 114.9(14) . . ?
C78 C57 C138 111.9(15) . . ?
C138 C57 C1A 112.8(12) . . ?
N8 C58 C5 177.1(14) . . ?
O35 C59 C38 130.8(16) . . ?
O35 C59 C113 111.9(14) . . ?
C38 C59 C113 117.3(16) . . ?
C22 C60 C2 120.0 . . ?
C22 C60 C73 123.6(8) . . ?
C2 C60 C73 116.3(8) . . ?
C60 C22 H22 120.0 . . ?
C13 C22 C60 120.0 . . ?
C13 C22 H22 120.0 . . ?
C22 C13 H13 120.0 . . ?
C12 C13 C22 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 C31 120.4(6) . . ?
C13 C12 C9 120.0 . . ?
C9 C12 C31 119.5(6) . . ?
C12 C9 H9 120.0 . . ?
C2 C9 C12 120.0 . . ?
C2 C9 H9 120.0 . . ?
C60 C2 H2 120.0 . . ?
C9 C2 C60 120.0 . . ?
C9 C2 H2 120.0 . . ?
C75 C61 H61 118.4 . . ?
C102 C61 H61 118.4 . . ?
C102 C61 C75 123.2(17) . . ?
N1 C62 C28 99.2(9) . . ?
N1 C62 C96 110.0(11) . . ?
N1 C62 C123 107.2(12) . . ?
C96 C62 C28 115.9(13) . . ?
C96 C62 C123 111.1(14) . . ?
C123 C62 C28 112.5(12) . . ?
O22 C63 C86 129.0(14) . . ?
O22 C63 C106 112.4(14) . . ?
C86 C63 C106 118.7(13) . . ?
C39 C64 H64 120.0 . . ?
C65 C64 C39 120.1(14) . . ?
C65 C64 H64 120.0 . . ?
O19 C65 C64 128.3(13) . . ?
O19 C65 C72 114.8(14) . . ?
C64 C65 C72 116.8(15) . . ?
C28 C66 H66A 109.5 . . ?
C28 C66 H66B 109.5 . . ?
C28 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N11 C67 C97 106.0(11) . . ?
N11 C67 C117 98.2(10) . . ?
C20 C67 N11 112.6(11) . . ?
C20 C67 C97 111.6(14) . . ?
C20 C67 C117 115.5(12) . . ?
C97 C67 C117 111.9(12) . . ?
C52 C68 H68 119.1 . . ?
C52 C68 C74 121.8(14) . . ?
C74 C68 H68 119.1 . . ?
O8 C69 C114 127.3(14) . . ?
O8 C69 C127 115.0(12) . . ?
C114 C69 C127 117.7(14) . . ?
F2 C70 F16 105.2(13) . . ?
F2 C70 C94 110.6(12) . . ?
F16 C70 C94 114.2(14) . . ?
F72 C70 F2 107.3(15) . . ?
F72 C70 F16 108.5(13) . . ?
F72 C70 C94 110.7(14) . . ?
F4 C71 F12 105.9(13) . . ?
F4 C71 C98 113.5(13) . . ?
F11 C71 F4 109.5(13) . . ?
F11 C71 F12 106.9(13) . . ?
F11 C71 C98 111.6(13) . . ?
F12 C71 C98 109.1(13) . . ?
F6 C72 C65 109.4(13) . . ?
F27 C72 F6 104.5(13) . . ?
F27 C72 C65 114.1(14) . . ?
F52 C72 F6 106.7(14) . . ?
F52 C72 F27 108.9(15) . . ?
F52 C72 C65 112.7(14) . . ?
N9 C73 C60 178.0(16) . . ?
N4 C1A C57 98.7(10) . . ?
N4 C1A C99 104.8(11) . . ?
C25 C1A N4 111.7(11) . . ?
C25 C1A C57 116.1(11) . . ?
C25 C1A C99 111.1(12) . . ?
C99 C1A C57 113.3(12) . . ?
O13 C74 C68 127.8(13) . . ?
O13 C74 C89 114.0(13) . . ?
C68 C74 C89 118.2(13) . . ?
O39 C75 C61 127.5(17) . . ?
O39 C75 C131 113.9(16) . . ?
C61 C75 C131 118.6(18) . . ?
O18 C76 C29 128.0(14) . . ?
O18 C76 C122 111.9(13) . . ?
C29 C76 C122 119.8(13) . . ?
O43 C77 C91 115.0(14) . . ?
O43 C77 C110 124.9(13) . . ?
C110 C77 C91 120.1(13) . . ?
C57 C78 H78A 109.5 . . ?
C57 C78 H78B 109.5 . . ?
C57 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
F43 C79 C55 111.7(13) . . ?
F53 C79 F43 107.4(15) . . ?
F53 C79 F66 107.3(15) . . ?
F53 C79 C55 114.3(12) . . ?
F66 C79 F43 106.0(14) . . ?
F66 C79 C55 109.8(13) . . ?
C30 C80 H80 119.0 . . ?
C94 C80 C30 122.0(13) . . ?
C94 C80 H80 119.0 . . ?
O27 C82 C21 127.7(14) . . ?
O27 C82 C128 114.5(13) . . ?
C21 C82 C128 117.7(13) . . ?
F59 C83 C52 108.3(13) . . ?
F61 C83 F59 108.0(14) . . ?
F61 C83 F65 107.2(15) . . ?
F61 C83 C52 112.4(13) . . ?
F65 C83 F59 108.6(15) . . ?
F65 C83 C52 112.3(12) . . ?
O11 C84 C108 127.6(14) . . ?
O11 C84 C129 113.9(14) . . ?
C108 C84 C129 118.5(14) . . ?
F1 C85 C39 111.3(13) . . ?
F57 C85 F1 106.6(14) . . ?
F57 C85 F60 110.8(16) . . ?
F57 C85 C39 110.8(15) . . ?
F60 C85 F1 105.0(15) . . ?
F60 C85 C39 112.1(14) . . ?
C63 C86 H86 119.7 . . ?
C88 C86 C63 120.7(13) . . ?
C88 C86 H86 119.7 . . ?
O33 C87 C125 127.5(15) . . ?
O33 C87 C133 111.8(15) . . ?
C125 C87 C133 120.7(17) . . ?
O2 C88 C86 128.1(14) . . ?
O2 C88 C107 114.4(14) . . ?
C86 C88 C107 117.4(14) . . ?
F9 C89 F22 108.7(13) . . ?
F9 C89 F23 106.4(12) . . ?
F9 C89 C74 111.5(14) . . ?
F22 C89 F23 105.8(14) . . ?
F22 C89 C74 114.5(12) . . ?
F23 C89 C74 109.4(12) . . ?
N6 C90 C141 101.4(13) . . ?
N6 C90 C143 103.8(14) . . ?
C143 C90 C141 104.9(16) . . ?
C144 C90 N6 110.5(14) . . ?
C144 C90 C141 114.1(16) . . ?
C144 C90 C143 120.1(19) . . ?
F31 C91 F36 106.5(15) . . ?
F31 C91 C77 112.6(14) . . ?
F36 C91 C77 107.1(14) . . ?
F78 C91 F31 110.7(17) . . ?
F78 C91 F36 106.1(15) . . ?
F78 C91 C77 113.3(15) . . ?
C51 C92 H92 118.5 . . ?
C105 C92 C51 123.0(13) . . ?
C105 C92 H92 118.5 . . ?
F7 C93 F55 104.0(16) . . ?
F7 C93 C51 113.0(15) . . ?
F1A C93 F7 107.6(15) . . ?
F1A C93 F55 109.0(17) . . ?
F1A C93 C51 112.3(16) . . ?
F55 C93 C51 110.5(14) . . ?
O31 C94 C70 114.7(14) . . ?
O31 C94 C80 127.9(13) . . ?
C80 C94 C70 117.4(14) . . ?
C42 C95 C46 121.6(13) . . ?
C42 C95 H95 119.2 . . ?
C46 C95 H95 119.2 . . ?
C62 C96 H96A 109.5 . . ?
C62 C96 H96B 109.5 . . ?
C62 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C67 C97 H97A 109.5 . . ?
C67 C97 H97B 109.5 . . ?
C67 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
O15 C98 C71 112.2(13) . . ?
O15 C98 C114 129.9(13) . . ?
C114 C98 C71 117.8(13) . . ?
C1A C99 H99A 109.5 . . ?
C1A C99 H99B 109.5 . . ?
C1A C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
O41 C100 C14 130.6(13) . . ?
O41 C100 C126 111.5(12) . . ?
C14 C100 C126 117.9(13) . . ?
F25 C101 C17 112.5(13) . . ?
F33 C101 F25 106.7(13) . . ?
F33 C101 F39 108.0(15) . . ?
F33 C101 C17 112.0(16) . . ?
F39 C101 F25 105.2(16) . . ?
F39 C101 C17 112.0(12) . . ?
O40 C102 C61 125.4(16) . . ?
O40 C102 C139 112.7(18) . . ?
C61 C102 C139 122(2) . . ?
O37 C103 C110 128.2(13) . . ?
O37 C103 C119 113.6(13) . . ?
C110 C103 C119 118.2(14) . . ?
C17 C104 C36 122.8(13) . . ?
C17 C104 H104 118.6 . . ?
C36 C104 H104 118.6 . . ?
O38 C105 C92 126.1(14) . . ?
O38 C105 C118 114.1(14) . . ?
C92 C105 C118 119.8(14) . . ?
F13 C106 F17 106.7(14) . . ?
F13 C106 C63 112.9(14) . . ?
F17 C106 C63 110.0(12) . . ?
F35 C106 F13 107.0(13) . . ?
F35 C106 F17 108.2(15) . . ?
F35 C106 C63 111.8(14) . . ?
F37 C107 F38 106.2(13) . . ?
F37 C107 F79 107.4(17) . . ?
F37 C107 C88 111.3(15) . . ?
F38 C107 F79 106.2(15) . . ?
F38 C107 C88 115.0(15) . . ?
F79 C107 C88 110.3(13) . . ?
C18 C108 C84 121.0(15) . . ?
C18 C108 H108 119.5 . . ?
C84 C108 H108 119.5 . . ?
F56 C109 F71 102.4(15) . . ?
F56 C109 F82 110.0(17) . . ?
F56 C109 C46 113.6(16) . . ?
F71 C109 C46 111.6(15) . . ?
F82 C109 F71 101.9(18) . . ?
F82 C109 C46 115.9(15) . . ?
C77 C110 C103 122.6(13) . . ?
C77 C110 H110 118.7 . . ?
C103 C110 H110 118.7 . . ?
O36 C111 C38 129.0(15) . . ?
O36 C111 C136 113.8(15) . . ?
C38 C111 C136 117.2(16) . . ?
F8 C112 F24 102.3(14) . . ?
F8 C112 C36 108.9(13) . . ?
F24 C112 C36 113.4(14) . . ?
F64 C112 F8 108.2(16) . . ?
F64 C112 F24 109.0(14) . . ?
F64 C112 C36 114.2(15) . . ?
F20 C113 C59 110.3(13) . . ?
F40 C113 F20 105.1(13) . . ?
F40 C113 C59 113.0(15) . . ?
F41 C113 F20 108.1(15) . . ?
F41 C113 F40 105.6(14) . . ?
F41 C113 C59 114.3(14) . . ?
C69 C114 H114 119.9 . . ?
C98 C114 C69 120.1(14) . . ?
C98 C114 H114 119.9 . . ?
F50 C115 C33 114.7(12) . . ?
F73 C115 F50 107.7(17) . . ?
F73 C115 F80 106.2(15) . . ?
F73 C115 C33 112.0(14) . . ?
F80 C115 F50 105.7(16) . . ?
F80 C115 C33 110.2(16) . . ?
O24 C116 C124 112.9(14) . . ?
O24 C116 C130 129.3(15) . . ?
C130 C116 C124 117.9(14) . . ?
N3 C117 C67 97.5(10) . . ?
C132 C117 N3 111.4(12) . . ?
C132 C117 C67 116.2(14) . . ?
C132 C117 C137 114.0(16) . . ?
C137 C117 N3 105.4(12) . . ?
C137 C117 C67 110.6(13) . . ?
F19 C118 F32 103.4(15) . . ?
F19 C118 C105 112.4(13) . . ?
F32 C118 C105 114.5(15) . . ?
F70 C118 F19 104.4(15) . . ?
F70 C118 F32 107.0(15) . . ?
F70 C118 C105 114.1(16) . . ?
F48 C119 F63 104.3(16) . . ?
F48 C119 F69 106.4(14) . . ?
F48 C119 C103 112.9(15) . . ?
F63 C119 F69 105.8(16) . . ?
F63 C119 C103 111.4(14) . . ?
F69 C119 C103 115.2(15) . . ?
F47 C120 C18 114.2(14) . . ?
F47 C120 F95 103.4(19) . . ?
F95 C120 C18 112.0(16) . . ?
F104 C120 F47 110.3(19) . . ?
F104 C120 C18 111.2(17) . . ?
F104 C120 F95 105.1(19) . . ?
O25 C121 C130 129.0(15) . . ?
O25 C121 C142 113.2(16) . . ?
C130 C121 C142 117.8(16) . . ?
F10 C122 F28 106.6(12) . . ?
F10 C122 C76 110.4(13) . . ?
F18 C122 F10 109.0(14) . . ?
F18 C122 F28 106.6(14) . . ?
F18 C122 C76 111.7(12) . . ?
F28 C122 C76 112.3(13) . . ?
C62 C123 H12A 109.5 . . ?
C62 C123 H12B 109.5 . . ?
C62 C123 H12C 109.5 . . ?
H12A C123 H12B 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
F34 C124 F67 103.2(15) . . ?
F34 C124 F84 107.7(15) . . ?
F34 C124 C116 112.4(15) . . ?
F67 C124 C116 112.7(14) . . ?
F84 C124 F67 105.0(17) . . ?
F84 C124 C116 114.9(14) . . ?
C41 C125 H125 118.2 . . ?
C87 C125 C41 123.6(16) . . ?
C87 C125 H125 118.2 . . ?
F44 C126 C100 114.1(15) . . ?
F44 C126 F102 106.8(19) . . ?
F91 C126 F44 105.6(17) . . ?
F91 C126 C100 113.1(19) . . ?
F91 C126 F102 107.9(18) . . ?
F102 C126 C100 108.9(16) . . ?
F74 C127 F87 110.5(18) . . ?
F74 C127 F89 106.0(16) . . ?
F74 C127 C69 111.8(15) . . ?
F87 C127 F89 103.8(19) . . ?
F87 C127 C69 115.4(13) . . ?
F89 C127 C69 108.6(16) . . ?
F49 C128 F94 104.9(14) . . ?
F49 C128 C82 115.4(13) . . ?
F94 C128 C82 109.9(15) . . ?
F97 C128 F49 108.5(17) . . ?
F97 C128 F94 104.5(18) . . ?
F97 C128 C82 112.9(13) . . ?
F58 C129 F68 106.3(17) . . ?
F58 C129 C84 114.3(15) . . ?
F62 C129 F58 107.4(14) . . ?
F62 C129 F68 103.0(16) . . ?
F62 C129 C84 112.1(15) . . ?
F68 C129 C84 112.9(13) . . ?
C116 C130 C121 120.9(14) . . ?
C116 C130 H130 119.5 . . ?
C121 C130 H130 119.5 . . ?
F88 C131 C75 115(2) . . ?
F88 C131 F100 103(2) . . ?
F98 C131 F88 112(2) . . ?
F98 C131 C75 114.2(19) . . ?
F98 C131 F100 101(3) . . ?
F100 C131 C75 109(2) . . ?
C117 C132 H13A 109.5 . . ?
C117 C132 H13B 109.5 . . ?
C117 C132 H13C 109.5 . . ?
H13A C132 H13B 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
F77 C133 F92 101.3(19) . . ?
F77 C133 C87 114.8(16) . . ?
F77 C133 F105 111(2) . . ?
F92 C133 C87 113.4(18) . . ?
F105 C133 F92 102.5(19) . . ?
F105 C133 C87 112.4(19) . . ?
F29 C134 F85 108.6(17) . . ?
F29 C134 F90 107.2(17) . . ?
F29 C134 C47 114.7(16) . . ?
F85 C134 F90 108.2(18) . . ?
F85 C134 C47 110.0(16) . . ?
F90 C134 C47 108.0(15) . . ?
F75 C135 C53 111.2(14) . . ?
F81 C135 F75 106.4(17) . . ?
F81 C135 C53 113.5(16) . . ?
F99 C135 F75 106.9(19) . . ?
F99 C135 F81 106.2(18) . . ?
F99 C135 C53 112.1(16) . . ?
F93 C136 F101 107(2) . . ?
F93 C136 C111 114.7(17) . . ?
F93 C136 F107 109(2) . . ?
F101 C136 C111 111(2) . . ?
F107 C136 F101 106(2) . . ?
F107 C136 C111 109(2) . . ?
C117 C137 H13D 109.5 . . ?
C117 C137 H13E 109.5 . . ?
C117 C137 H13F 109.5 . . ?
H13D C137 H13E 109.5 . . ?
H13D C137 H13F 109.5 . . ?
H13E C137 H13F 109.5 . . ?
C57 C138 H13G 109.5 . . ?
C57 C138 H13H 109.5 . . ?
C57 C138 H13I 109.5 . . ?
H13G C138 H13H 109.5 . . ?
H13G C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
F83 C139 F96 105(2) . . ?
F83 C139 C102 114.3(17) . . ?
F96 C139 C102 114(2) . . ?
F106 C139 F83 105.3(19) . . ?
F106 C139 F96 103(2) . . ?
F106 C139 C102 113(2) . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C141 C140 H14A 109.5 . . ?
C141 C140 H14B 109.5 . . ?
C141 C140 H14C 109.5 . . ?
N7 C141 C90 97.7(13) . . ?
N7 C141 C140 105.8(15) . . ?
C43 C141 N7 116.3(15) . . ?
C43 C141 C90 123.8(17) . . ?
C43 C141 C140 103.5(16) . . ?
C90 C141 C140 108.6(16) . . ?
F51 C142 C121 111.8(18) . . ?
F76 C142 F51 99.3(19) . . ?
F76 C142 C121 114.3(18) . . ?
F103 C142 F51 102(2) . . ?
F103 C142 F76 110.1(19) . . ?
F103 C142 C121 117.4(18) . . ?
C90 C143 H14D 109.5 . . ?
C90 C143 H14E 109.5 . . ?
C90 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C90 C144 H14G 109.5 . . ?
C90 C144 H14H 109.5 . . ?
C90 C144 H14I 109.5 . . ?
H14G C144 H14H 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
F42 C145 F86 109.3(18) . . ?
F42 C145 C41 114.9(17) . . ?
F45 C145 F42 100.5(19) . . ?
F45 C145 F86 102.3(18) . . ?
F45 C145 C41 113.4(18) . . ?
F86 C145 C41 114.9(19) . . ?

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
Tb6 O3 C55 C29 -9(2) . . . . ?
Tb6 O3 C55 C79 170.7(9) . . . . ?
Tb6 O8 C69 C114 -7(3) . . . . ?
Tb6 O8 C69 C127 176.1(11) . . . . ?
Tb6 O15 C98 C71 -171.2(10) . . . . ?
Tb6 O15 C98 C114 11(3) . . . . ?
Tb6 O17 N4 C31 82.4(16) . . . . ?
Tb6 O17 N4 C1A -107.6(14) . . . . ?
Tb6 O18 C76 C29 13(2) . . . . ?
Tb6 O18 C76 C122 -173.2(10) . . . . ?
Tb6 O1A N7 C35 84.0(18) . . . . ?
Tb6 O1A N7 C141 -114.3(15) . . . . ?
Tb6 O37 C103 C110 0(2) . . . . ?
Tb6 O37 C103 C119 -179.8(10) . . . . ?
Tb6 O43 C77 C91 -166.1(11) . . . . ?
Tb6 O43 C77 C110 14(2) . . . . ?
Tb3 O2 C88 C86 -6(2) . . . . ?
Tb3 O2 C88 C107 172.9(10) . . . . ?
Tb3 O4 C52 C68 12(2) . . . . ?
Tb3 O4 C52 C83 -170.9(9) . . . . ?
Tb3 O7 N2 C19 -83.0(15) . . . . ?
Tb3 O7 N2 C28 108.4(12) . . . . ?
Tb3 O9 C45 C34 171.6(10) . . . . ?
Tb3 O9 C45 C48 -7(2) . . . . ?
Tb3 O13 C74 C68 -12(2) . . . . ?
Tb3 O13 C74 C89 169.4(9) . . . . ?
Tb3 O16 C33 C48 9(2) . . . . ?
Tb3 O16 C33 C115 -170.8(11) . . . . ?
Tb3 O22 C63 C86 -2(2) . . . . ?
Tb3 O22 C63 C106 176.3(9) . . . . ?
Tb3 O23 N11 C32 -80.7(16) . . . . ?
Tb3 O23 N11 C67 113.9(12) . . . . ?
Tb2 O6 N1 C19 -79.8(16) . . . . ?
Tb2 O6 N1 C62 110.0(11) . . . . ?
Tb2 O20 C36 C104 -19(2) . . . . ?
Tb2 O20 C36 C112 162.8(10) . . . . ?
Tb2 O21 C46 C95 18(2) . . . . ?
Tb2 O21 C46 C109 -162.6(12) . . . . ?
Tb2 O28 C17 C101 -164.8(11) . . . . ?
Tb2 O28 C17 C104 16(2) . . . . ?
Tb2 O35 C59 C38 3(3) . . . . ?
Tb2 O35 C59 C113 -174.3(9) . . . . ?
Tb2 O36 C111 C38 6(3) . . . . ?
Tb2 O36 C111 C136 -175.5(13) . . . . ?
Tb2 O42 C42 C49 162.7(10) . . . . ?
Tb2 O42 C42 C95 -18(2) . . . . ?
Tb5 O5 C30 C56 168.8(11) . . . . ?
Tb5 O5 C30 C80 -12(2) . . . . ?
Tb5 O10 N6 C35 81.2(15) 1_655 . . . ?
Tb5 O10 N6 C90 -103.5(15) 1_655 . . . ?
Tb5 O27 C82 C21 3(2) . . . . ?
Tb5 O27 C82 C128 179.9(10) . . . . ?
Tb5 O29 C41 C125 -17(2) . . . . ?
Tb5 O29 C41 C145 163.3(11) . . . . ?
Tb5 O31 C94 C70 -168.0(9) . . . . ?
Tb5 O31 C94 C80 14(2) . . . . ?
Tb5 O32 C47 C21 4(3) . . . . ?
Tb5 O32 C47 C134 -174.4(12) . . . . ?
Tb5 O33 C87 C125 19(2) . . . . ?
Tb5 O33 C87 C133 -160.0(12) . . . . ?
Tb4 O1 N3 C32 -76.8(15) . . . . ?
Tb4 O1 N3 C117 112.4(11) . . . . ?
Tb4 O11 C84 C108 14(2) . . . . ?
Tb4 O11 C84 C129 -166.8(10) . . . . ?
Tb4 O12 C53 C14 -3(3) . . . . ?
Tb4 O12 C53 C135 179.5(11) . . . . ?
Tb4 O14 C39 C64 14(2) . . . . ?
Tb4 O14 C39 C85 -169.5(10) . . . . ?
Tb4 O19 C65 C64 -19(2) . . . . ?
Tb4 O19 C65 C72 163.4(9) . . . . ?
Tb4 O26 C18 C108 -20(2) . . . . ?
Tb4 O26 C18 C120 161.8(10) . . . . ?
Tb4 O41 C100 C14 0(3) . . . . ?
Tb4 O41 C100 C126 178.7(13) . . . . ?
Tb1 O24 C116 C124 -164.3(10) . . . . ?
Tb1 O24 C116 C130 17(3) . . . . ?
Tb1 O25 C121 C130 -19(3) . . . . ?
Tb1 O25 C121 C142 164.8(12) . . . . ?
Tb1 O30 C51 C92 -15(2) . . . . ?
Tb1 O30 C51 C93 166.9(11) . . . . ?
Tb1 O34 N5 C31 78.5(18) 1_554 . . . ?
Tb1 O34 N5 C57 -113.0(13) 1_554 . . . ?
Tb1 O38 C105 C92 16(2) . . . . ?
Tb1 O38 C105 C118 -164.9(9) . . . . ?
Tb1 O39 C75 C61 -8(3) . . . . ?
Tb1 O39 C75 C131 170.7(15) . . . . ?
Tb1 O40 C102 C61 -1(3) . . . . ?
Tb1 O40 C102 C139 176.7(13) . . . . ?
O1 N3 C32 C16 1.0(19) . . . . ?
O1 N3 C32 N11 -179.2(10) . . . . ?
O1 N3 C117 C67 -165.2(9) . . . . ?
O1 N3 C117 C132 -43.3(17) . . . . ?
O1 N3 C117 C137 80.9(14) . . . . ?
O2 C88 C107 F37 50.1(19) . . . . ?
O2 C88 C107 F38 170.9(15) . . . . ?
O2 C88 C107 F79 -69.0(19) . . . . ?
F2 C70 C94 O31 -71.8(18) . . . . ?
F2 C70 C94 C80 106.0(16) . . . . ?
O3 C55 C79 F43 39.4(18) . . . . ?
O3 C55 C79 F53 161.5(15) . . . . ?
O3 C55 C79 F66 -77.9(17) . . . . ?
F4 C71 C98 O15 171.2(14) . . . . ?
F4 C71 C98 C114 -11(2) . . . . ?
O4 C52 C68 C74 0(2) . . . . ?
O4 C52 C83 F59 81.6(16) . . . . ?
O4 C52 C83 F61 -37.6(19) . . . . ?
O4 C52 C83 F65 -158.5(14) . . . . ?
O5 C30 C56 F3 -20(2) . . . . ?
O5 C30 C56 F46 98.3(17) . . . . ?
O5 C30 C56 F54 -140.6(16) . . . . ?
O5 C30 C80 C94 -7(2) . . . . ?
O6 N1 C19 C10 0(2) . . . . ?
O6 N1 C19 N2 179.8(11) . . . . ?
O6 N1 C62 C28 -164.3(10) . . . . ?
O6 N1 C62 C96 -42.3(16) . . . . ?
O6 N1 C62 C123 78.5(14) . . . . ?
O7 N2 C19 C10 0.7(19) . . . . ?
O7 N2 C19 N1 -179.3(10) . . . . ?
O7 N2 C28 C50 -43.3(15) . . . . ?
O7 N2 C28 C62 -166.0(10) . . . . ?
O7 N2 C28 C66 79.3(14) . . . . ?
F11 C71 C98 O15 47.0(19) . . . . ?
F11 C71 C98 C114 -135.3(15) . . . . ?
O8 C69 C114 C98 -2(3) . . . . ?
O8 C69 C127 F74 37(2) . . . . ?
O8 C69 C127 F87 164.9(18) . . . . ?
O8 C69 C127 F89 -79(2) . . . . ?
O9 C45 C48 C33 -4(3) . . . . ?
F12 C71 C98 O15 -70.9(17) . . . . ?
F12 C71 C98 C114 106.8(16) . . . . ?
F14 C34 C45 O9 -43(2) . . . . ?
F14 C34 C45 C48 135.8(15) . . . . ?
F16 C70 C94 O31 169.7(13) . . . . ?
F16 C70 C94 C80 -12(2) . . . . ?
O10 N6 C35 N7 179.1(12) . . . . ?
O10 N6 C35 C44 -3(2) . . . . ?
O10 N6 C90 C141 167.0(12) . . . . ?
O10 N6 C90 C143 -84.4(17) . . . . ?
O10 N6 C90 C144 46(2) . . . . ?
O11 C84 C108 C18 3(3) . . . . ?
O11 C84 C129 F58 -165.0(16) . . . . ?
O11 C84 C129 F62 72.5(18) . . . . ?
O11 C84 C129 F68 -43(2) . . . . ?
O12 C53 C135 F75 62(2) . . . . ?
O12 C53 C135 F81 -178.1(17) . . . . ?
O12 C53 C135 F99 -58(2) . . . . ?
O13 C74 C89 F9 -48.1(18) . . . . ?
O13 C74 C89 F22 -172.1(13) . . . . ?
O13 C74 C89 F23 69.3(17) . . . . ?
O14 C39 C64 C65 6(2) . . . . ?
O14 C39 C85 F1 18(2) . . . . ?
O14 C39 C85 F57 -100.1(16) . . . . ?
O14 C39 C85 F60 135.6(15) . . . . ?
O15 C98 C114 C69 -1(3) . . . . ?
O16 C33 C48 C45 3(3) . . . . ?
O16 C33 C115 F50 -160.2(16) . . . . ?
O16 C33 C115 F73 -37(2) . . . . ?
O16 C33 C115 F80 80.8(18) . . . . ?
O17 N4 C31 N5 179.8(11) . . . . ?
O17 N4 C31 C12 1(2) . . . . ?
O17 N4 C1A C25 42.5(16) . . . . ?
O17 N4 C1A C57 165.1(11) . . . . ?
O17 N4 C1A C99 -77.9(14) . . . . ?
O18 C76 C122 F10 -70.9(16) . . . . ?
O18 C76 C122 F18 50.5(18) . . . . ?
O18 C76 C122 F28 170.3(13) . . . . ?
O19 C65 C72 F6 73.0(17) . . . . ?
O19 C65 C72 F27 -170.4(13) . . . . ?
O19 C65 C72 F52 -46(2) . . . . ?
O20 C36 C104 C17 -6(2) . . . . ?
O20 C36 C112 F8 74.3(17) . . . . ?
O20 C36 C112 F24 -172.5(13) . . . . ?
O20 C36 C112 F64 -47(2) . . . . ?
F21 C34 C45 O9 75.1(16) . . . . ?
F21 C34 C45 C48 -106.3(16) . . . . ?
C1 C40 C81 C15 0.0 . . . . ?
C40 C1 C11 C10 0.0 . . . . ?
C40 C81 C15 C10 0.0 . . . . ?
C81 C15 C10 C11 0.0 . . . . ?
C81 C15 C10 C19 174.6(9) . . . . ?
C15 C10 C11 C1 0.0 . . . . ?
C15 C10 C19 N1 -24.0(16) . . . . ?
C15 C10 C19 N2 156.0(10) . . . . ?
C11 C1 C40 C81 0.0 . . . . ?
C11 C1 C40 C37 177.4(11) . . . . ?
C11 C10 C19 N1 150.6(11) . . . . ?
C11 C10 C19 N2 -29.4(15) . . . . ?
O21 C46 C95 C42 6(3) . . . . ?
O21 C46 C109 F56 67(2) . . . . ?
O21 C46 C109 F71 -48(2) . . . . ?
O21 C46 C109 F82 -164.3(19) . . . . ?
O22 C63 C86 C88 3(2) . . . . ?
O22 C63 C106 F13 177.9(12) . . . . ?
O22 C63 C106 F17 58.8(19) . . . . ?
O22 C63 C106 F35 -61.5(16) . . . . ?
O1A N7 C35 N6 175.8(12) . . . . ?
O1A N7 C35 C44 -2(2) . . . . ?
O1A N7 C141 C43 39(2) . . . . ?
O1A N7 C141 C90 173.2(12) . . . . ?
O1A N7 C141 C140 -74.9(17) . . . . ?
O23 N11 C32 N3 -177.7(11) . . . . ?
O23 N11 C32 C16 2.1(19) . . . . ?
O23 N11 C67 C20 -45.1(16) . . . . ?
O23 N11 C67 C97 77.2(14) . . . . ?
O23 N11 C67 C117 -167.2(10) . . . . ?
O24 C116 C124 F34 -67.1(19) . . . . ?
O24 C116 C124 F67 49(2) . . . . ?
O24 C116 C124 F84 169.3(16) . . . . ?
O24 C116 C130 C121 3(3) . . . . ?
O25 C121 C130 C116 -1(3) . . . . ?
O25 C121 C142 F51 47(2) . . . . ?
O25 C121 C142 F76 -64(2) . . . . ?
O25 C121 C142 F103 164(2) . . . . ?
O26 C18 C108 C84 0(3) . . . . ?
O26 C18 C120 F47 48(2) . . . . ?
O26 C18 C120 F95 165.1(18) . . . . ?
O26 C18 C120 F104 -78(2) . . . . ?
O27 C82 C128 F49 167.1(15) . . . . ?
O27 C82 C128 F94 -74.6(19) . . . . ?
O27 C82 C128 F97 42(2) . . . . ?
O28 C17 C101 F25 20(2) . . . . ?
O28 C17 C101 F33 -100.3(16) . . . . ?
O28 C17 C101 F39 138.1(16) . . . . ?
O28 C17 C104 C36 7(2) . . . . ?
O29 C41 C125 C87 -3(3) . . . . ?
O29 C41 C145 F42 -69(2) . . . . ?
O29 C41 C145 F45 46(2) . . . . ?
O29 C41 C145 F86 163.3(17) . . . . ?
O30 C51 C92 C105 -7(2) . . . . ?
O30 C51 C93 F7 -23(2) . . . . ?
O30 C51 C93 F1A 99.0(19) . . . . ?
O30 C51 C93 F55 -139.1(16) . . . . ?
O32 C47 C134 F29 172.9(16) . . . . ?
O32 C47 C134 F85 -64(2) . . . . ?
O32 C47 C134 F90 53(2) . . . . ?
O33 C87 C125 C41 1(3) . . . . ?
O33 C87 C133 F77 55(3) . . . . ?
O33 C87 C133 F92 -61(2) . . . . ?
O33 C87 C133 F105 -176.9(19) . . . . ?
O34 N5 C31 N4 -179.3(12) . . . . ?
O34 N5 C31 C12 -1(2) . . . . ?
O34 N5 C57 C1A 164.8(12) . . . . ?
O34 N5 C57 C78 43.8(19) . . . . ?
O34 N5 C57 C138 -77.3(16) . . . . ?
O35 C59 C113 F20 67.7(19) . . . . ?
O35 C59 C113 F40 -49.5(18) . . . . ?
O35 C59 C113 F41 -170.3(14) . . . . ?
O36 C111 C136 F93 169(2) . . . . ?
O36 C111 C136 F101 48(3) . . . . ?
O36 C111 C136 F107 -69(3) . . . . ?
O37 C103 C110 C77 -6(3) . . . . ?
O37 C103 C119 F48 -50(2) . . . . ?
O37 C103 C119 F63 67.2(19) . . . . ?
O37 C103 C119 F69 -172.2(15) . . . . ?
O38 C105 C118 F19 -83.5(18) . . . . ?
O38 C105 C118 F32 158.9(15) . . . . ?
O38 C105 C118 F70 35.1(19) . . . . ?
N2 C28 C62 N1 -24.9(12) . . . . ?
N2 C28 C62 C96 -142.5(12) . . . . ?
N2 C28 C62 C123 88.1(13) . . . . ?
O39 C75 C131 F88 175(2) . . . . ?
O39 C75 C131 F98 43(3) . . . . ?
O39 C75 C131 F100 -69(2) . . . . ?
O40 C102 C139 F83 -62(3) . . . . ?
O40 C102 C139 F96 59(3) . . . . ?
O40 C102 C139 F106 177(2) . . . . ?
O41 C100 C126 F44 -177.9(18) . . . . ?
O41 C100 C126 F91 61(2) . . . . ?
O41 C100 C126 F102 -59(2) . . . . ?
F30 C34 C45 O9 -169.6(14) . . . . ?
F30 C34 C45 C48 9(2) . . . . ?
O42 C42 C49 F5 -43.8(19) . . . . ?
O42 C42 C49 F15 72.4(17) . . . . ?
O42 C42 C49 F26 -164.4(14) . . . . ?
O42 C42 C95 C46 -5(3) . . . . ?
O43 C77 C91 F31 158.0(15) . . . . ?
O43 C77 C91 F36 -85.2(16) . . . . ?
O43 C77 C91 F78 31(2) . . . . ?
O43 C77 C110 C103 0(2) . . . . ?
N4 C31 C12 C13 -154.8(10) . . . . ?
N4 C31 C12 C9 28.0(15) . . . . ?
N5 C31 C12 C13 26.6(17) . . . . ?
N5 C31 C12 C9 -150.6(11) . . . . ?
N5 C57 C1A N4 26.6(13) . . . . ?
N5 C57 C1A C25 146.1(12) . . . . ?
N5 C57 C1A C99 -83.7(14) . . . . ?
N6 C90 C141 N7 21.5(15) . . . . ?
N6 C90 C141 C43 150.5(17) . . . . ?
N6 C90 C141 C140 -88.1(16) . . . . ?
F72 C70 C94 O31 47.0(18) . . . . ?
F72 C70 C94 C80 -135.2(16) . . . . ?
C6 C23 C8 C3 0.0 . . . . ?
C6 C23 C8 C27 -178.4(10) . . . . ?
C6 C16 C32 N3 -27.0(15) . . . . ?
C6 C16 C32 N11 153.3(9) . . . . ?
C23 C6 C16 C24 0.0 . . . . ?
C23 C6 C16 C32 176.0(8) . . . . ?
C23 C8 C3 C24 0.0 . . . . ?
C8 C3 C24 C16 0.0 . . . . ?
C3 C24 C16 C6 0.0 . . . . ?
C3 C24 C16 C32 -176.0(9) . . . . ?
C24 C16 C32 N3 149.1(10) . . . . ?
C24 C16 C32 N11 -30.7(14) . . . . ?
C16 C6 C23 C8 0.0 . . . . ?
N11 C67 C117 N3 -24.9(11) . . . . ?
N11 C67 C117 C132 -143.2(14) . . . . ?
N11 C67 C117 C137 84.8(14) . . . . ?
C14 C53 C135 F75 -115.5(19) . . . . ?
C14 C53 C135 F81 4(3) . . . . ?
C14 C53 C135 F99 125(2) . . . . ?
C14 C100 C126 F44 1(3) . . . . ?
C14 C100 C126 F91 -119.7(17) . . . . ?
C14 C100 C126 F102 120.3(19) . . . . ?
C19 C10 C11 C1 -174.7(9) . . . . ?
C19 N1 C62 C28 24.2(15) . . . . ?
C19 N1 C62 C96 146.2(13) . . . . ?
C19 N1 C62 C123 -92.9(14) . . . . ?
C19 N2 C28 C50 146.8(11) . . . . ?
C19 N2 C28 C62 24.2(14) . . . . ?
C19 N2 C28 C66 -90.5(13) . . . . ?
C20 C67 C117 N3 -144.8(11) . . . . ?
C20 C67 C117 C132 96.8(17) . . . . ?
C20 C67 C117 C137 -35.2(17) . . . . ?
C21 C47 C134 F29 -6(2) . . . . ?
C21 C47 C134 F85 116.9(17) . . . . ?
C21 C47 C134 F90 -125.2(18) . . . . ?
C21 C82 C128 F49 -16(2) . . . . ?
C21 C82 C128 F94 102.3(18) . . . . ?
C21 C82 C128 F97 -141.5(19) . . . . ?
C26 C54 C5 C4 0.0 . . . . ?
C26 C54 C5 C58 178.7(10) . . . . ?
C26 C44 C35 N6 29.9(16) . . . . ?
C26 C44 C35 N7 -152.5(11) . . . . ?
C54 C26 C44 C7 0.0 . . . . ?
C54 C26 C44 C35 -177.4(9) . . . . ?
C54 C5 C4 C7 0.0 . . . . ?
C5 C4 C7 C44 0.0 . . . . ?
C4 C7 C44 C26 0.0 . . . . ?
C4 C7 C44 C35 177.4(9) . . . . ?
C7 C44 C35 N6 -147.5(11) . . . . ?
C7 C44 C35 N7 30.0(16) . . . . ?
C44 C26 C54 C5 0.0 . . . . ?
C27 C8 C3 C24 178.5(10) . . . . ?
C28 N2 C19 C10 169.5(11) . . . . ?
C28 N2 C19 N1 -10.5(15) . . . . ?
C29 C55 C79 F43 -140.7(15) . . . . ?
C29 C55 C79 F53 -18(2) . . . . ?
C29 C55 C79 F66 102.1(16) . . . . ?
C29 C76 C122 F10 103.8(16) . . . . ?
C29 C76 C122 F18 -134.7(15) . . . . ?
C29 C76 C122 F28 -15(2) . . . . ?
C30 C80 C94 O31 6(2) . . . . ?
C30 C80 C94 C70 -171.2(13) . . . . ?
C31 N4 C1A C25 -146.2(12) . . . . ?
C31 N4 C1A C57 -23.6(14) . . . . ?
C31 N4 C1A C99 93.4(13) . . . . ?
C31 N5 C57 C1A -25.3(15) . . . . ?
C31 N5 C57 C78 -146.2(14) . . . . ?
C31 N5 C57 C138 92.7(15) . . . . ?
C31 C12 C9 C2 177.2(9) . . . . ?
C32 N3 C117 C67 22.7(13) . . . . ?
C32 N3 C117 C132 144.6(14) . . . . ?
C32 N3 C117 C137 -91.2(15) . . . . ?
C32 N11 C67 C20 146.9(13) . . . . ?
C32 N11 C67 C97 -90.9(14) . . . . ?
C32 N11 C67 C117 24.7(13) . . . . ?
C34 C45 C48 C33 177.6(15) . . . . ?
C35 N6 C90 C141 -17.2(17) . . . . ?
C35 N6 C90 C143 91.4(16) . . . . ?
C35 N6 C90 C144 -138.5(17) . . . . ?
C35 N7 C141 C43 -157.2(16) . . . . ?
C35 N7 C141 C90 -23.3(18) . . . . ?
C35 N7 C141 C140 88.6(18) . . . . ?
C37 C40 C81 C15 -177.3(11) . . . . ?
C38 C59 C113 F20 -110.0(17) . . . . ?
C38 C59 C113 F40 132.8(15) . . . . ?
C38 C59 C113 F41 12(2) . . . . ?
C38 C111 C136 F93 -12(3) . . . . ?
C38 C111 C136 F101 -134(2) . . . . ?
C38 C111 C136 F107 110(2) . . . . ?
C39 C64 C65 O19 -3(2) . . . . ?
C39 C64 C65 C72 174.2(13) . . . . ?
C47 C21 C82 O27 -3(2) . . . . ?
C47 C21 C82 C128 -179.1(14) . . . . ?
C48 C33 C115 F50 20(2) . . . . ?
C48 C33 C115 F73 143.0(17) . . . . ?
C48 C33 C115 F80 -99.1(17) . . . . ?
C49 C42 C95 C46 174.2(15) . . . . ?
C50 C28 C62 N1 -145.4(12) . . . . ?
C50 C28 C62 C96 97.0(16) . . . . ?
C50 C28 C62 C123 -32.4(17) . . . . ?
C51 C92 C105 O38 7(2) . . . . ?
C51 C92 C105 C118 -172.2(14) . . . . ?
C52 C68 C74 O13 -1(2) . . . . ?
C52 C68 C74 C89 177.8(14) . . . . ?
C53 C14 C100 O41 1(3) . . . . ?
C53 C14 C100 C126 -177.9(17) . . . . ?
C55 C29 C76 O18 0(3) . . . . ?
C55 C29 C76 C122 -174.1(14) . . . . ?
C56 C30 C80 C94 171.5(14) . . . . ?
C57 N5 C31 N4 11.3(16) . . . . ?
C57 N5 C31 C12 -170.0(12) . . . . ?
C58 C5 C4 C7 -178.8(9) . . . . ?
C59 C38 C111 O36 -3(3) . . . . ?
C59 C38 C111 C136 178.5(17) . . . . ?
C60 C22 C13 C12 0.0 . . . . ?
C22 C60 C2 C9 0.0 . . . . ?
C22 C13 C12 C31 -177.2(9) . . . . ?
C22 C13 C12 C9 0.0 . . . . ?
C13 C12 C9 C2 0.0 . . . . ?
C12 C9 C2 C60 0.0 . . . . ?
C2 C60 C22 C13 0.0 . . . . ?
C61 C75 C131 F88 -6(3) . . . . ?
C61 C75 C131 F98 -139(2) . . . . ?
C61 C75 C131 F100 109(2) . . . . ?
C61 C102 C139 F83 116(2) . . . . ?
C61 C102 C139 F96 -123(2) . . . . ?
C61 C102 C139 F106 -5(3) . . . . ?
C62 N1 C19 C10 170.2(12) . . . . ?
C62 N1 C19 N2 -9.9(15) . . . . ?
C63 C86 C88 O2 1(3) . . . . ?
C63 C86 C88 C107 -177.8(14) . . . . ?
C64 C39 C85 F1 -164.4(13) . . . . ?
C64 C39 C85 F57 77.1(18) . . . . ?
C64 C39 C85 F60 -47(2) . . . . ?
C64 C65 C72 F6 -105.0(16) . . . . ?
C64 C65 C72 F27 12(2) . . . . ?
C64 C65 C72 F52 136.4(16) . . . . ?
C66 C28 C62 N1 83.5(13) . . . . ?
C66 C28 C62 C96 -34.1(17) . . . . ?
C66 C28 C62 C123 -163.5(13) . . . . ?
C67 N11 C32 N3 -11.9(15) . . . . ?
C67 N11 C32 C16 168.0(10) . . . . ?
C68 C52 C83 F59 -101.3(17) . . . . ?
C68 C52 C83 F61 139.6(15) . . . . ?
C68 C52 C83 F65 19(2) . . . . ?
C68 C74 C89 F9 133.2(15) . . . . ?
C68 C74 C89 F22 9(2) . . . . ?
C68 C74 C89 F23 -109.5(15) . . . . ?
C71 C98 C114 C69 -178.0(15) . . . . ?
C73 C60 C22 C13 177.5(12) . . . . ?
C73 C60 C2 C9 -177.7(11) . . . . ?
C1A N4 C31 N5 9.2(15) . . . . ?
C1A N4 C31 C12 -169.7(11) . . . . ?
C75 C61 C102 O40 1(3) . . . . ?
C75 C61 C102 C139 -176.6(18) . . . . ?
C76 C29 C55 O3 -1(2) . . . . ?
C76 C29 C55 C79 178.6(14) . . . . ?
C78 C57 C1A N4 143.0(13) . . . . ?
C78 C57 C1A C25 -97.6(16) . . . . ?
C78 C57 C1A C99 32.7(18) . . . . ?
C80 C30 C56 F3 160.7(13) . . . . ?
C80 C30 C56 F46 -80.6(17) . . . . ?
C80 C30 C56 F54 40(2) . . . . ?
C82 C21 C47 O32 -1(3) . . . . ?
C82 C21 C47 C134 177.5(15) . . . . ?
C83 C52 C68 C74 -176.1(14) . . . . ?
C85 C39 C64 C65 -170.9(14) . . . . ?
C86 C63 C106 F13 -3(2) . . . . ?
C86 C63 C106 F17 -122.5(16) . . . . ?
C86 C63 C106 F35 117.2(16) . . . . ?
C86 C88 C107 F37 -130.9(16) . . . . ?
C86 C88 C107 F38 -10(2) . . . . ?
C86 C88 C107 F79 109.9(18) . . . . ?
C90 N6 C35 N7 3.4(16) . . . . ?
C90 N6 C35 C44 -178.6(12) . . . . ?
C91 C77 C110 C103 179.8(16) . . . . ?
C92 C51 C93 F7 158.9(14) . . . . ?
C92 C51 C93 F1A -79.1(19) . . . . ?
C92 C51 C93 F55 43(2) . . . . ?
C92 C105 C118 F19 95.6(17) . . . . ?
C92 C105 C118 F32 -22(2) . . . . ?
C92 C105 C118 F70 -145.8(15) . . . . ?
C93 C51 C92 C105 170.6(15) . . . . ?
C95 C42 C49 F5 136.7(15) . . . . ?
C95 C42 C49 F15 -107.2(17) . . . . ?
C95 C42 C49 F26 16(2) . . . . ?
C95 C46 C109 F56 -114.0(18) . . . . ?
C95 C46 C109 F71 130.8(16) . . . . ?
C95 C46 C109 F82 15(3) . . . . ?
C97 C67 C117 N3 86.1(12) . . . . ?
C97 C67 C117 C132 -32.2(18) . . . . ?
C97 C67 C117 C137 -164.3(13) . . . . ?
C100 C14 C53 O12 1(3) . . . . ?
C100 C14 C53 C135 178.0(15) . . . . ?
C101 C17 C104 C36 -172.0(15) . . . . ?
C102 C61 C75 O39 4(3) . . . . ?
C102 C61 C75 C131 -175(2) . . . . ?
C104 C17 C101 F25 -160.7(14) . . . . ?
C104 C17 C101 F33 79.1(17) . . . . ?
C104 C17 C101 F39 -42(2) . . . . ?
C104 C36 C112 F8 -104.4(16) . . . . ?
C104 C36 C112 F24 9(2) . . . . ?
C104 C36 C112 F64 134.5(17) . . . . ?
C106 C63 C86 C88 -175.3(14) . . . . ?
C108 C18 C120 F47 -130.7(18) . . . . ?
C108 C18 C120 F95 -14(2) . . . . ?
C108 C18 C120 F104 104(2) . . . . ?
C108 C84 C129 F58 14(2) . . . . ?
C108 C84 C129 F62 -108.7(17) . . . . ?
C108 C84 C129 F68 135.6(17) . . . . ?
C109 C46 C95 C42 -173.5(16) . . . . ?
C110 C77 C91 F31 -22(2) . . . . ?
C110 C77 C91 F36 95.0(17) . . . . ?
C110 C77 C91 F78 -148.4(17) . . . . ?
C110 C103 C119 F48 130.9(16) . . . . ?
C110 C103 C119 F63 -112.1(17) . . . . ?
C110 C103 C119 F69 8(2) . . . . ?
C111 C38 C59 O35 -1(3) . . . . ?
C111 C38 C59 C113 175.8(14) . . . . ?
C112 C36 C104 C17 172.6(14) . . . . ?
C114 C69 C127 F74 -140.1(18) . . . . ?
C114 C69 C127 F87 -13(3) . . . . ?
C114 C69 C127 F89 103.3(19) . . . . ?
C115 C33 C48 C45 -177.0(15) . . . . ?
C117 N3 C32 C16 172.0(11) . . . . ?
C117 N3 C32 N11 -8.2(15) . . . . ?
C119 C103 C110 C77 172.9(15) . . . . ?
C120 C18 C108 C84 178.5(15) . . . . ?
C124 C116 C130 C121 -176.5(16) . . . . ?
C125 C41 C145 F42 111(2) . . . . ?
C125 C41 C145 F45 -133.8(19) . . . . ?
C125 C41 C145 F86 -17(3) . . . . ?
C125 C87 C133 F77 -125(2) . . . . ?
C125 C87 C133 F92 120(2) . . . . ?
C125 C87 C133 F105 4(3) . . . . ?
C127 C69 C114 C98 175.4(16) . . . . ?
C129 C84 C108 C18 -175.6(15) . . . . ?
C130 C116 C124 F34 112.2(17) . . . . ?
C130 C116 C124 F67 -131.7(17) . . . . ?
C130 C116 C124 F84 -11(2) . . . . ?
C130 C121 C142 F51 -129.2(19) . . . . ?
C130 C121 C142 F76 119(2) . . . . ?
C130 C121 C142 F103 -12(3) . . . . ?
C133 C87 C125 C41 -179.3(17) . . . . ?
C138 C57 C1A N4 -87.0(14) . . . . ?
C138 C57 C1A C25 32.4(18) . . . . ?
C138 C57 C1A C99 162.7(14) . . . . ?
C141 N7 C35 N6 13.9(17) . . . . ?
C141 N7 C35 C44 -164.1(13) . . . . ?
C142 C121 C130 C116 174.5(17) . . . . ?
C143 C90 C141 N7 -86.3(16) . . . . ?
C143 C90 C141 C43 43(2) . . . . ?
C143 C90 C141 C140 164.1(16) . . . . ?
C144 C90 C141 N7 140.3(17) . . . . ?
C144 C90 C141 C43 -91(2) . . . . ?
C144 C90 C141 C140 31(2) . . . . ?
C145 C41 C125 C87 177.1(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.889
_oxdiff_exptl_absorpt_empirical_full_min 0.151
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8950(15)
2 0.1050(15)

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

data_Dy
_database_code_depnum_ccdc_archive 'CCDC 2544862'
loop_
_audit_author_name
_audit_author_address
'yan zhou'
;NANKAI UNIVERSITY
China
;
_audit_update_record             
;
2026-05-19 deposited with the CCDC.	2026-05-21 downloaded from the CCDC.
;
_audit_creation_date             2026-05-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H82 Dy6 F108 N12 O44'
_chemical_formula_sum            'C146 H82 Dy6 F108 N12 O44'
_chemical_formula_weight         5735.23
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   17.0005(2)
_cell_length_b                   21.7702(4)
_cell_length_c                   29.5143(3)
_cell_angle_alpha                71.8829(13)
_cell_angle_beta                 89.9359(10)
_cell_angle_gamma                75.6612(12)
_cell_volume                     10024.2(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    47302
_cell_measurement_temperature    120(10)
_cell_measurement_theta_max      75.5880
_cell_measurement_theta_min      3.6220
_shelx_estimated_absorpt_T_max   0.698
_shelx_estimated_absorpt_T_min   0.146
_exptl_absorpt_coefficient_mu    13.340
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish violet'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5524
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
7 -3 -14 0.0266
7 4 15 0.0621
-11 0 3 0.0652
0 -13 1 0.0133
0 16 0 0.0140

_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.029
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
7.1233 -2.5962 -14.4396 0.2296 0.9642 0.1325
7.0558 3.7637 14.5035 0.0016 -0.0097 -1.0000
-10.7287 -0.3187 2.5194 -0.1951 -0.8083 0.5556
-0.2387 -12.9105 0.5449 -0.9321 0.3293 -0.1506
0.2553 15.8854 -0.3023 1.1379 -0.4179 0.1723

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0899
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            33611
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        65.089
_diffrn_reflns_theta_max         65.089
_diffrn_reflns_theta_min         3.618
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      120(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -58.00   0.25    0.50    --  -47.27 -55.00 157.00  244
  2  ω    -23.00  23.00   0.25    0.50    --  -47.27  55.00 -58.00  184
  3  ω     61.00 117.00   0.25    0.50    --   47.27  55.00 -58.00  224
  4  ω    -24.00  62.00   0.25    0.50    --   47.27 -55.00 157.00  344
  5  ω   -174.00 -95.00   0.25    1.00    -- -104.50 -55.00 157.00  316
  6  ω    -59.00 -34.00   0.25    1.00    -- -104.50  55.00 -58.00  100
  7  ω    133.00 178.00   0.25    1.00    --  105.91  55.00 -58.00  180
  8  ω     34.00  64.00   0.25    1.00    --  105.91 -55.00 157.00  120
  9  ω     -9.00  17.00   0.25    0.50    --  -47.27  19.00 -60.00  104
 10  ω     36.00  89.00   0.25    0.50    --   47.27-125.00 -90.00  212
 11  ω     35.00 119.00   0.25    0.50    --   47.27  38.00  30.00  336
 12  ω      0.00  29.00   0.25    0.50    --   47.27 -19.00   0.00  116
 13  ω     34.00  93.00   0.25    0.50    --   47.27-125.00-150.00  236
 14  ω   -107.00 -45.00   0.25    1.00    -- -104.50 125.00 -30.00  248
 15  ω    -67.00 -41.00   0.25    1.00    -- -104.50 125.00  60.00  104
 16  ω   -111.00 -43.00   0.25    1.00    -- -104.50 125.00 150.00  272
 17  ω   -108.00 -70.00   0.25    1.00    -- -104.50 125.00 -60.00  152
 18  ω   -108.00 -36.00   0.25    1.00    -- -104.50 125.00-180.00  288
 19  ω   -174.00-104.00   0.25    1.00    -- -104.50 -30.00  30.00  280
 20  ω   -108.00 -82.00   0.25    1.00    -- -104.50 125.00  60.00  104
 21  ω   -107.00 -52.00   0.25    1.00    -- -104.50 125.00-150.00  220
 22  ω    -71.00 -37.00   0.25    1.00    -- -104.50 125.00  30.00  136
 23  ω   -110.00 -76.00   0.25    1.00    -- -104.50 125.00  30.00  136
 24  ω    -68.00 -35.00   0.25    1.00    -- -104.50  61.00 150.00  132
 25  ω    -67.00 -36.00   0.25    1.00    -- -104.50  61.00 -30.00  124
 26  ω     34.00  59.00   0.25    1.00    --  105.91-146.00  -6.14  100
 27  ω     97.00 123.00   0.25    1.00    --  105.91  30.00-180.00  104
 28  ω     35.00  71.00   0.25    1.00    --  105.91 -61.00 -30.00  144
 29  ω     56.00 108.00   0.25    1.00    --  105.91-110.00  60.94  208
 30  ω    104.00 177.00   0.25    1.00    --  105.91  45.00-120.00  292
 31  ω     44.00  99.00   0.25    1.00    --  105.91 -95.00  90.00  220
 32  ω     33.00  74.00   0.25    1.00    --  105.91 -61.00 -60.00  164
 33  ω     33.00  58.00   0.25    1.00    --  105.91 -61.00-120.00  100
 34  ω     41.00 104.00   0.25    1.00    --  105.91 -77.00  90.00  252
 35  ω     42.00  77.00   0.25    1.00    --  105.91-107.00 -61.93  140
 36  ω    135.00 174.00   0.25    1.00    --  105.91  30.00-180.00  156
 37  ω     97.00 152.00   0.25    1.00    --  105.91  45.00 -30.00  220
 38  ω     93.00 127.00   0.25    1.00    --  105.91-146.00  -6.14  136
 39  ω    131.00 157.00   0.25    1.00    --  105.91 125.00  60.00  104
 40  ω     81.00 107.00   0.25    1.00    --  105.91 125.00  60.00  104
 41  ω     82.00 107.00   0.25    1.00    --  105.91-108.00 155.35  100
 42  ω     55.00  81.00   0.25    1.00    --  105.91-108.00 155.35  104
 43  ω     91.00 176.00   0.25    1.00    --  105.91  61.00-150.00  340
 44  ω     36.00  63.00   0.25    1.00    --  105.91 -61.00   0.00  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0105653000
_diffrn_orient_matrix_UB_12      0.0710152000
_diffrn_orient_matrix_UB_13      -0.0234591000
_diffrn_orient_matrix_UB_21      0.0697455000
_diffrn_orient_matrix_UB_22      -0.0279499000
_diffrn_orient_matrix_UB_23      -0.0273442000
_diffrn_orient_matrix_UB_31      -0.0619026000
_diffrn_orient_matrix_UB_32      0.0110484000
_diffrn_orient_matrix_UB_33      -0.0416979000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25891
_reflns_number_total             33611
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         4.277
_refine_diff_density_min         -3.031
_refine_diff_density_rms         0.224
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2814
_refine_ls_number_reflns         33611
_refine_ls_number_restraints     1981
_refine_ls_R_factor_all          0.1211
_refine_ls_R_factor_gt           0.1033
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+200.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2425
_refine_ls_wR_factor_ref         0.2530
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.8925(15)
 0.1075(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 H14I-H14A
 2 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(C117) \\sim Ueq, Uanis(C141) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(F104) \\sim Ueq,
Uanis(F62) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(F42)
\\sim Ueq, Uanis(C145) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C11) \\sim Ueq,
Uanis(C8) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C1) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C7) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(N10) \\sim Ueq, Uanis(C142) \\sim Ueq, Uanis(N12) \\sim Ueq, Uanis(C144)
\\sim Ueq, Uanis(F98) \\sim Ueq, Uanis(F103) \\sim Ueq, Uanis(F105) \\sim Ueq,
Uanis(F106) \\sim Ueq, Uanis(N7) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(N3)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C81(H81), C15(H15), C11(H11), C6(H6), C23(H23), C3(H3), C24(H24),
 C14(H14), C21(H21), C26(H26), C54(H54), C4(H4), C7(H7), C29(H29), C38(H38),
 C48(H48), C22(H22), C13(H13), C9(H9), C2(H2), C61(H61), C64(H64), C68(H68),
 C80(H80), C86(H86), C92(H92), C95(H95), C104(H104), C108(H108), C110(H110),
 C114(H114), C125(H125), C130(H130)
5.b Fitted hexagon refined as free rotating group:
 C1(C40,C81,C15,C10,C11), C6(C23,C8,C3,C24,C16), C26(C54,C5,C4,C7,C44),
 C60(C22,C13,C12,C9,C2)
5.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C25(H25A,H25B,H25C), C43(H43A,H43B,H43C), C50(H50A,H50B,
 H50C), C66(H66A,H66B,H66C), C78(H78A,H78B,H78C), C96(H96A,H96B,H96C), C97(H97A,
 H97B,H97C), C99(H99A,H99B,H99C), C123(H12A,H12B,H12C), C132(H13A,H13B,H13C),
 C137(H13D,H13E,H13F), C138(H13G,H13H,H13I), C140(H14A,H14B,H14C), C143(H14D,
 H14E,H14F), C144(H14G,H14H,H14I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy6 Dy 1.07697(4) 0.27618(4) 0.29931(3) 0.02864(17) Uani 1 1 d . . . . .
Dy3 Dy 0.57688(4) 0.27055(4) 0.80251(3) 0.02874(17) Uani 1 1 d . . . . .
Dy2 Dy 0.17523(5) 0.25664(4) 0.97472(3) 0.0357(2) Uani 1 1 d . . . . .
Dy5 Dy 0.48020(4) 0.25949(4) 0.47661(3) 0.03234(19) Uani 1 1 d . . . . .
Dy4 Dy 0.98307(4) 0.25569(4) 0.63512(3) 0.03130(18) Uani 1 1 d . . . . .
Dy1 Dy 0.67835(5) 0.25048(4) 1.13858(3) 0.0377(2) Uani 1 1 d . . . . .
O1 O 0.9073(5) 0.2974(5) 0.6920(3) 0.0348(19) Uani 1 1 d . U . . .
F1 F 1.2081(5) 0.3392(5) 0.6704(3) 0.061(2) Uani 1 1 d . U . . .
O2 O 0.5794(6) 0.1734(5) 0.7812(3) 0.041(2) Uani 1 1 d . U . . .
F2 F 0.3274(5) 0.5109(5) 0.4328(4) 0.067(3) Uani 1 1 d . U . . .
F3 F 0.7038(5) 0.3429(5) 0.4018(4) 0.064(2) Uani 1 1 d . U . . .
O3 O 1.0067(5) 0.3124(4) 0.3590(3) 0.0332(19) Uani 1 1 d . U . . .
F4 F 0.8766(6) 0.5169(5) 0.1671(4) 0.069(3) Uani 1 1 d . U . . .
F5 F 0.3602(6) 0.0514(4) 0.9714(3) 0.061(2) Uani 1 1 d . U . . .
F6 F 0.8291(5) 0.5076(5) 0.5664(4) 0.069(3) Uani 1 1 d . U . . .
O4 O 0.5073(5) 0.3091(5) 0.7259(3) 0.037(2) Uani 1 1 d . U . . .
F7 F 0.3997(5) 0.3374(5) 1.1686(4) 0.068(3) Uani 1 1 d . U . . .
O5 O 0.5655(5) 0.3229(5) 0.4312(3) 0.038(2) Uani 1 1 d . U . . .
F8 F 0.1619(6) 0.5106(5) 0.9277(4) 0.069(3) Uani 1 1 d . U . . .
F9 F 0.6542(7) 0.4808(5) 0.7407(4) 0.068(3) Uani 1 1 d . U . . .
O6 O 0.2269(5) 0.3034(5) 0.9001(3) 0.0352(19) Uani 1 1 d . U . . .
F10 F 1.2166(6) 0.4424(5) 0.3331(4) 0.069(3) Uani 1 1 d . U . . .
O7 O 0.4684(5) 0.2283(4) 0.8371(3) 0.0292(17) Uani 1 1 d . U . . .
F11 F 0.8577(6) 0.4826(5) 0.2415(4) 0.069(3) Uani 1 1 d . U . . .
O8 O 1.1206(5) 0.3213(4) 0.2229(3) 0.035(2) Uani 1 1 d . U . . .
O9 O 0.4705(5) 0.3635(4) 0.8049(3) 0.038(2) Uani 1 1 d . U . . .
F12 F 0.8214(5) 0.4364(5) 0.1939(4) 0.068(3) Uani 1 1 d . U . . .
F13 F 0.7006(6) 0.0087(4) 0.9402(3) 0.064(3) Uani 1 1 d . U . . .
F14 F 0.3639(6) 0.4818(5) 0.7632(4) 0.076(3) Uani 1 1 d . U . . .
F15 F 0.4512(6) 0.1035(4) 0.9533(4) 0.068(3) Uani 1 1 d . U . . .
F16 F 0.4234(6) 0.5346(4) 0.4633(4) 0.067(3) Uani 1 1 d . U . . .
O10 O 1.4044(5) 0.3066(5) 0.4006(3) 0.038(2) Uani 1 1 d . U . . .
F17 F 0.6412(6) 0.0925(5) 0.9627(3) 0.069(3) Uani 1 1 d . U . . .
O11 O 0.8893(6) 0.2533(5) 0.5782(3) 0.042(2) Uani 1 1 d . U . . .
O12 O 1.0460(6) 0.1616(5) 0.6125(3) 0.042(2) Uani 1 1 d . U . . .
O13 O 0.6261(6) 0.3599(5) 0.7551(3) 0.043(2) Uani 1 1 d . U . . .
O14 O 1.0694(6) 0.3179(5) 0.6506(3) 0.041(2) Uani 1 1 d . U . . .
F18 F 1.1468(7) 0.4905(5) 0.2653(4) 0.073(3) Uani 1 1 d . U . . .
F19 F 0.6661(6) 0.5085(5) 1.0679(4) 0.072(3) Uani 1 1 d . U . . .
O15 O 0.9677(5) 0.3659(4) 0.2534(3) 0.040(2) Uani 1 1 d . U . . .
O16 O 0.6198(5) 0.3134(5) 0.8594(3) 0.0355(19) Uani 1 1 d . U . . .
O17 O 0.9704(5) 0.2291(4) 0.2875(3) 0.0331(19) Uani 1 1 d . U . . .
O18 O 1.1206(6) 0.3688(5) 0.3049(4) 0.043(2) Uani 1 1 d . U . . .
F20 F 0.0893(6) 0.1086(5) 1.1218(4) 0.074(3) Uani 1 1 d . U . . .
O19 O 0.9206(6) 0.3697(5) 0.5948(3) 0.041(2) Uani 1 1 d . U . . .
O20 O 0.1641(6) 0.3712(5) 0.9630(4) 0.042(2) Uani 1 1 d . U . . .
F21 F 0.3244(5) 0.4391(5) 0.8319(4) 0.074(3) Uani 1 1 d . U . . .
F22 F 0.6162(6) 0.5119(5) 0.6660(4) 0.067(3) Uani 1 1 d . U . . .
C1 C 0.5303(3) 0.2444(4) 0.9692(3) 0.033(2) Uani 1 1 d G U . . .
H1 H 0.584030 0.216841 0.979234 0.039 Uiso 1 1 calc R U . . .
C40 C 0.4952(5) 0.2899(4) 0.9924(3) 0.039(2) Uani 1 1 d G U . . .
C81 C 0.4165(5) 0.3303(4) 0.9777(3) 0.038(3) Uani 1 1 d G U . . .
H81 H 0.392543 0.361409 0.993505 0.046 Uiso 1 1 calc R U . . .
C15 C 0.3729(4) 0.3252(4) 0.9398(3) 0.035(3) Uani 1 1 d G U . . .
H15 H 0.319129 0.352844 0.929718 0.042 Uiso 1 1 calc R U . . .
C10 C 0.4080(4) 0.2798(4) 0.9166(2) 0.032(2) Uani 1 1 d G U . . .
C11 C 0.4866(4) 0.2394(4) 0.9313(3) 0.026(2) Uani 1 1 d G U . . .
H11 H 0.510614 0.208276 0.915446 0.031 Uiso 1 1 calc R U . . .
F23 F 0.7250(6) 0.4336(5) 0.6949(4) 0.064(2) Uani 1 1 d . U . . .
O21 O 0.2718(6) 0.2529(5) 1.0327(4) 0.045(2) Uani 1 1 d . U . . .
O22 O 0.6322(5) 0.1759(5) 0.8709(3) 0.039(2) Uani 1 1 d . U . . .
O1A O 1.2145(5) 0.2360(6) 0.3321(3) 0.047(2) Uani 1 1 d . U . . .
O23 O 0.7143(5) 0.2228(5) 0.7903(3) 0.041(2) Uani 1 1 d . U . . .
N1 N 0.2822(6) 0.2804(5) 0.8735(4) 0.0287(19) Uani 1 1 d . U . . .
O24 O 0.7999(6) 0.1704(5) 1.1785(4) 0.050(2) Uani 1 1 d . U . . .
F24 F 0.0534(6) 0.5313(5) 0.9621(5) 0.079(3) Uani 1 1 d . U . . .
F25 F -0.1017(5) 0.3333(5) 0.9055(4) 0.065(3) Uani 1 1 d . U . . .
O25 O 0.7737(6) 0.2443(5) 1.0809(4) 0.048(2) Uani 1 1 d . U . . .
O26 O 0.9130(6) 0.1755(4) 0.6748(3) 0.040(2) Uani 1 1 d . U . . .
F26 F 0.4532(6) 0.0368(5) 1.0256(4) 0.077(3) Uani 1 1 d . U . . .
O27 O 0.5363(6) 0.1642(5) 0.5441(3) 0.046(2) Uani 1 1 d . U . . .
O28 O 0.0501(5) 0.3184(5) 0.9295(3) 0.041(2) Uani 1 1 d . U . . .
O29 O 0.3830(6) 0.2545(5) 0.5339(3) 0.042(2) Uani 1 1 d . U . . .
O30 O 0.5532(5) 0.3159(5) 1.1535(3) 0.044(2) Uani 1 1 d . U . . .
F27 F 0.9243(6) 0.5293(5) 0.5220(4) 0.078(3) Uani 1 1 d . U . . .
O31 O 0.4189(5) 0.3726(5) 0.4677(4) 0.044(2) Uani 1 1 d . U . . .
O32 O 0.5823(6) 0.1850(5) 0.4522(4) 0.045(2) Uani 1 1 d . U . . .
F28 F 1.1057(7) 0.5203(5) 0.3250(4) 0.072(3) Uani 1 1 d . U . . .
O33 O 0.4111(6) 0.1814(5) 0.4692(4) 0.047(2) Uani 1 1 d . U . . .
O34 O 0.7279(5) 0.2945(5) 0.1937(3) 0.040(2) Uani 1 1 d . U . . .
O35 O 0.1682(6) 0.1647(5) 1.0419(4) 0.048(2) Uani 1 1 d . U . . .
O36 O 0.1278(6) 0.1790(5) 0.9482(4) 0.049(2) Uani 1 1 d . U . . .
O37 O 1.0905(5) 0.1751(4) 0.3638(3) 0.036(2) Uani 1 1 d . U . . .
O38 O 0.6732(6) 0.3634(5) 1.0969(3) 0.045(2) Uani 1 1 d . U . . .
N2 N 0.3903(6) 0.2463(5) 0.8444(3) 0.0268(19) Uani 1 1 d . U . . .
O39 O 0.6327(7) 0.1757(5) 1.2026(4) 0.054(3) Uani 1 1 d . U . . .
O40 O 0.6669(7) 0.1576(6) 1.1156(4) 0.053(3) Uani 1 1 d . U . . .
O41 O 1.0806(6) 0.1836(5) 0.6962(3) 0.042(2) Uani 1 1 d . U . . .
F29 F 0.7495(7) 0.0535(5) 0.4578(4) 0.089(4) Uani 1 1 d . U . . .
F30 F 0.3845(6) 0.5165(5) 0.8213(4) 0.073(3) Uani 1 1 d . U . . .
F31 F 1.2737(7) 0.0386(6) 0.2771(4) 0.086(3) Uani 1 1 d . U . . .
O42 O 0.2957(6) 0.1766(5) 0.9701(3) 0.042(2) Uani 1 1 d . U . . .
F32 F 0.5714(8) 0.5189(6) 1.0181(4) 0.104(4) Uani 1 1 d . U . . .
F33 F -0.0888(8) 0.4270(6) 0.8591(4) 0.093(4) Uani 1 1 d . U . . .
F34 F 0.9512(7) 0.0988(6) 1.2306(4) 0.092(4) Uani 1 1 d . U . . .
O43 O 1.1380(5) 0.1867(4) 0.2713(3) 0.036(2) Uani 1 1 d . U . . .
F35 F 0.7591(6) 0.0862(5) 0.9348(4) 0.074(3) Uani 1 1 d . U . . .
F36 F 1.1657(7) 0.0758(6) 0.2307(4) 0.082(3) Uani 1 1 d . U . . .
F37 F 0.6088(8) 0.0849(5) 0.7317(4) 0.084(3) Uani 1 1 d . U . . .
F38 F 0.6072(8) 0.0042(5) 0.7941(4) 0.085(3) Uani 1 1 d . U . . .
F39 F -0.1364(6) 0.4206(7) 0.9272(5) 0.091(4) Uani 1 1 d . U . . .
F40 F 0.2176(7) 0.0666(6) 1.1272(4) 0.081(3) Uani 1 1 d . U . . .
N3 N 0.8671(6) 0.2746(5) 0.7293(3) 0.030(2) Uani 1 1 d . U . . .
F41 F 0.1392(8) 0.0145(5) 1.1107(4) 0.085(3) Uani 1 1 d . U . . .
F42 F 0.3622(7) 0.2086(7) 0.6333(4) 0.087(3) Uani 1 1 d . U . . .
F43 F 0.9388(7) 0.3106(5) 0.4401(4) 0.084(3) Uani 1 1 d . U . . .
F44 F 1.2374(7) 0.0455(5) 0.7587(5) 0.098(4) Uani 1 1 d . U . . .
F45 F 0.2699(8) 0.2772(7) 0.5918(4) 0.092(3) Uani 1 1 d . U . . .
F46 F 0.6238(8) 0.4314(7) 0.3555(5) 0.114(5) Uani 1 1 d . U . . .
F47 F 0.8356(9) 0.0931(6) 0.7352(4) 0.091(4) Uani 1 1 d . U . . .
F48 F 1.1359(8) 0.0881(6) 0.4526(4) 0.086(3) Uani 1 1 d . U . . .
F49 F 0.6466(8) 0.0036(5) 0.6093(4) 0.087(4) Uani 1 1 d . U . . .
F50 F 0.6194(7) 0.4155(7) 0.9284(5) 0.107(4) Uani 1 1 d . U . . .
F51 F 0.8695(9) 0.2690(9) 1.0112(5) 0.115(4) Uani 1 1 d . U . . .
N4 N 0.8945(6) 0.2434(6) 0.2742(4) 0.032(2) Uani 1 1 d . U . . .
N5 N 0.7806(6) 0.2745(6) 0.2301(4) 0.036(2) Uani 1 1 d . U . . .
F52 F 0.8561(9) 0.4642(6) 0.5114(4) 0.100(4) Uani 1 1 d . U . . .
F53 F 0.9404(8) 0.4103(6) 0.4305(4) 0.088(3) Uani 1 1 d . U . . .
F54 F 0.6817(8) 0.4315(7) 0.4210(5) 0.099(4) Uani 1 1 d . U . . .
F1A F 0.4202(8) 0.4268(6) 1.1746(5) 0.097(4) Uani 1 1 d . U . . .
F55 F 0.3708(6) 0.4248(7) 1.1076(5) 0.109(5) Uani 1 1 d . U . . .
F56 F 0.3157(7) 0.2130(7) 1.1325(4) 0.093(4) Uani 1 1 d . U . . .
F57 F 1.1297(8) 0.4300(6) 0.6734(5) 0.102(4) Uani 1 1 d . U . . .
N6 N 1.3690(6) 0.2864(6) 0.3717(4) 0.038(2) Uani 1 1 d . U . . .
F58 F 0.7585(9) 0.1885(8) 0.5280(4) 0.106(4) Uani 1 1 d . U . . .
F59 F 0.3622(6) 0.3913(7) 0.6633(4) 0.100(4) Uani 1 1 d . U . . .
F60 F 1.1870(7) 0.4250(7) 0.6085(5) 0.102(4) Uani 1 1 d . U . . .
F61 F 0.4367(8) 0.3110(6) 0.6463(4) 0.089(4) Uani 1 1 d . U . . .
F62 F 0.8653(7) 0.2107(6) 0.4974(4) 0.083(3) Uani 1 1 d . U . . .
F63 F 1.0399(8) 0.0661(6) 0.4223(4) 0.093(4) Uani 1 1 d . U . . .
F64 F 0.1646(9) 0.4669(6) 1.0033(4) 0.099(4) Uani 1 1 d . U . . .
F65 F 0.4444(8) 0.4079(7) 0.6091(4) 0.097(4) Uani 1 1 d . U . . .
F66 F 0.8611(6) 0.3894(7) 0.3864(5) 0.095(4) Uani 1 1 d . U . . .
F67 F 0.8685(8) 0.0428(6) 1.2326(5) 0.099(4) Uani 1 1 d . U . . .
N7 N 1.2789(7) 0.2553(6) 0.3394(4) 0.041(2) Uani 1 1 d . U . . .
N8 N 1.0571(7) 0.2894(6) 0.5598(4) 0.040(2) Uani 1 1 d . U . . .
F68 F 0.7726(9) 0.2868(7) 0.5067(4) 0.108(4) Uani 1 1 d . U . . .
F69 F 1.1605(9) 0.0043(6) 0.4264(4) 0.102(4) Uani 1 1 d . U . . .
F70 F 0.6909(8) 0.4560(6) 1.0184(4) 0.090(3) Uani 1 1 d . U . . .
F71 F 0.3726(9) 0.2814(7) 1.0902(4) 0.100(4) Uani 1 1 d . U . . .
F72 F 0.3586(9) 0.4686(6) 0.5068(4) 0.102(4) Uani 1 1 d . U . . .
F73 F 0.6894(8) 0.3182(6) 0.9378(5) 0.104(4) Uani 1 1 d . U . . .
F74 F 1.1873(9) 0.3238(6) 0.1426(5) 0.110(5) Uani 1 1 d . U . . .
F75 F 1.1457(10) 0.0918(6) 0.5598(4) 0.107(4) Uani 1 1 d . U . . .
F76 F 0.8142(8) 0.2064(8) 1.0000(4) 0.102(4) Uani 1 1 d . U . . .
F77 F 0.4312(8) 0.0502(6) 0.4776(6) 0.114(4) Uani 1 1 d . U . . .
C6 C 0.7463(4) 0.3198(4) 0.6433(3) 0.034(3) Uani 1 1 d G U . . .
H6 H 0.782178 0.347741 0.640794 0.041 Uiso 1 1 calc R U . . .
C23 C 0.6985(5) 0.3256(4) 0.6033(2) 0.037(3) Uani 1 1 d G U . . .
H23 H 0.701616 0.357594 0.573381 0.044 Uiso 1 1 calc R U . . .
C8 C 0.6460(5) 0.2848(4) 0.6070(2) 0.036(2) Uani 1 1 d G U . . .
C3 C 0.6414(4) 0.2380(4) 0.6508(3) 0.030(2) Uani 1 1 d G U . . .
H3 H 0.605541 0.210072 0.653334 0.036 Uiso 1 1 calc R U . . .
C24 C 0.6893(5) 0.2322(3) 0.6908(2) 0.027(2) Uani 1 1 d G U . . .
H24 H 0.686102 0.200218 0.720747 0.032 Uiso 1 1 calc R U . . .
C16 C 0.7417(4) 0.2731(4) 0.6871(2) 0.031(2) Uani 1 1 d G U . . .
F78 F 1.2509(8) 0.1333(6) 0.2233(5) 0.096(4) Uani 1 1 d . U . . .
F79 F 0.4988(8) 0.0810(6) 0.7659(5) 0.096(4) Uani 1 1 d . U . . .
F80 F 0.7111(7) 0.3979(8) 0.8838(5) 0.102(4) Uani 1 1 d . U . . .
F81 F 1.1696(10) 0.0057(6) 0.6193(5) 0.119(5) Uani 1 1 d . U . . .
F82 F 0.4377(8) 0.1821(8) 1.1157(5) 0.121(5) Uani 1 1 d . U . . .
N9 N 1.0772(7) 0.2920(6) 0.0327(4) 0.042(3) Uani 1 1 d . U . . .
N10 N 0.5582(7) 0.2892(6) 0.5358(4) 0.047(3) Uani 1 1 d . U . . .
F83 F 0.5943(8) 0.0964(6) 1.0635(4) 0.090(4) Uani 1 1 d . U . . .
N11 N 0.7787(6) 0.2421(5) 0.7736(4) 0.031(2) Uani 1 1 d . U . . .
F84 F 0.9636(9) 0.0353(7) 1.1878(5) 0.116(5) Uani 1 1 d . U . . .
F85 F 0.6518(9) 0.0966(7) 0.4030(5) 0.109(5) Uani 1 1 d . U . . .
F86 F 0.2556(8) 0.1840(7) 0.6117(5) 0.104(4) Uani 1 1 d . U . . .
C14 C 1.1431(10) 0.0865(7) 0.6745(6) 0.047(3) Uani 1 1 d . U . . .
H14 H 1.182628 0.044518 0.685009 0.056 Uiso 1 1 calc R U . . .
F87 F 1.1174(8) 0.4223(8) 0.1073(5) 0.135(6) Uani 1 1 d . U . . .
C17 C 0.0050(9) 0.3752(7) 0.9265(5) 0.043(3) Uani 1 1 d . U . . .
C18 C 0.8764(10) 0.1431(8) 0.6591(6) 0.049(3) Uani 1 1 d . U . . .
N12 N 0.5822(8) 0.2887(6) 1.0631(4) 0.046(3) Uani 1 1 d . U . . .
C19 C 0.3600(7) 0.2694(6) 0.8793(4) 0.031(2) Uani 1 1 d . U . . .
F88 F 0.5858(10) 0.0307(6) 1.2714(5) 0.111(4) Uani 1 1 d . U . . .
F89 F 1.2076(8) 0.4049(9) 0.1584(5) 0.122(5) Uani 1 1 d . U . . .
C20 C 0.8281(9) 0.2354(8) 0.8549(5) 0.046(3) Uani 1 1 d . U . . .
H20A H 0.797465 0.203850 0.872004 0.069 Uiso 1 1 calc R U . . .
H20B H 0.793992 0.281320 0.847680 0.069 Uiso 1 1 calc R U . . .
H20C H 0.877125 0.229603 0.874852 0.069 Uiso 1 1 calc R U . . .
C21 C 0.6412(9) 0.0895(7) 0.5182(5) 0.046(3) Uani 1 1 d . U . . .
H21 H 0.681554 0.047917 0.528026 0.055 Uiso 1 1 calc R U . . .
C25 C 0.8512(9) 0.2415(8) 0.3542(5) 0.044(3) Uani 1 1 d . U . . .
H25A H 0.898752 0.207338 0.372965 0.066 Uiso 1 1 calc R U . . .
H25B H 0.803848 0.241238 0.373190 0.066 Uiso 1 1 calc R U . . .
H25C H 0.862211 0.285614 0.345715 0.066 Uiso 1 1 calc R U . . .
C26 C 1.2437(4) 0.3273(4) 0.4376(3) 0.034(3) Uani 1 1 d G U . . .
H26 H 1.279290 0.355599 0.427863 0.041 Uiso 1 1 calc R U . . .
C54 C 1.1954(5) 0.3318(4) 0.4751(3) 0.034(2) Uani 1 1 d G U . . .
H54 H 1.197912 0.363299 0.490889 0.041 Uiso 1 1 calc R U . . .
C5 C 1.1434(5) 0.2904(4) 0.4894(3) 0.034(2) Uani 1 1 d G U . . .
C4 C 1.1397(4) 0.2443(4) 0.4662(3) 0.036(3) Uani 1 1 d G U . . .
H4 H 1.104186 0.215996 0.475973 0.044 Uiso 1 1 calc R U . . .
C7 C 1.1881(5) 0.2398(3) 0.4288(3) 0.024(2) Uani 1 1 d G U . . .
H7 H 1.185563 0.208295 0.412947 0.029 Uiso 1 1 calc R U . . .
C44 C 1.2401(4) 0.2812(4) 0.4145(2) 0.034(2) Uani 1 1 d G U . . .
C27 C 0.5991(8) 0.2890(7) 0.5674(5) 0.038(3) Uani 1 1 d . U . . .
C28 C 0.3302(8) 0.2287(7) 0.8161(5) 0.036(2) Uani 1 1 d . U . . .
C29 C 1.0353(8) 0.4147(7) 0.3559(5) 0.042(3) Uani 1 1 d . U . . .
H29 H 1.020993 0.451740 0.367520 0.051 Uiso 1 1 calc R U . . .
C30 C 0.5727(9) 0.3791(7) 0.4265(5) 0.044(3) Uani 1 1 d . U . . .
C31 C 0.8610(7) 0.2657(7) 0.2288(4) 0.031(2) Uani 1 1 d . U . . .
F90 F 0.7271(9) 0.1561(6) 0.4156(5) 0.116(5) Uani 1 1 d . U . . .
C32 C 0.7977(7) 0.2637(7) 0.7300(4) 0.033(2) Uani 1 1 d . U . . .
C33 C 0.5954(8) 0.3644(7) 0.8701(5) 0.042(3) Uani 1 1 d . U . . .
C34 C 0.3844(10) 0.4642(8) 0.8083(6) 0.052(3) Uani 1 1 d . U . . .
C35 C 1.2939(7) 0.2755(7) 0.3762(4) 0.035(2) Uani 1 1 d . U . . .
C36 C 0.1027(9) 0.4218(8) 0.9556(5) 0.045(3) Uani 1 1 d . U . . .
C37 C 0.5405(9) 0.2906(7) 1.0309(5) 0.040(3) Uani 1 1 d . U . . .
C38 C 0.1220(10) 0.0866(8) 1.0151(6) 0.057(3) Uani 1 1 d . U . . .
H38 H 0.108441 0.044912 1.025426 0.069 Uiso 1 1 calc R U . . .
C39 C 1.0759(9) 0.3751(8) 0.6290(5) 0.044(3) Uani 1 1 d . U . . .
C41 C 0.3486(10) 0.2098(9) 0.5536(6) 0.052(3) Uani 1 1 d . U . . .
C42 C 0.3531(9) 0.1425(7) 1.0013(5) 0.043(3) Uani 1 1 d . U . . .
C43 C 1.3341(10) 0.2391(9) 0.2654(6) 0.055(4) Uani 1 1 d . U . . .
H43A H 1.310793 0.202296 0.265102 0.082 Uiso 1 1 calc R U . . .
H43B H 1.384663 0.235630 0.249283 0.082 Uiso 1 1 calc R U . . .
H43C H 1.295158 0.281937 0.248680 0.082 Uiso 1 1 calc R U . . .
C45 C 0.4652(8) 0.4090(7) 0.8234(5) 0.043(3) Uani 1 1 d . U . . .
C46 C 0.3322(9) 0.2088(8) 1.0557(5) 0.049(3) Uani 1 1 d . U . . .
C47 C 0.6312(9) 0.1316(7) 0.4702(6) 0.044(3) Uani 1 1 d . U . . .
C48 C 0.5231(8) 0.4145(7) 0.8542(5) 0.042(3) Uani 1 1 d . U . . .
H48 H 0.513169 0.452800 0.864503 0.051 Uiso 1 1 calc R U . . .
C49 C 0.4057(10) 0.0828(8) 0.9884(6) 0.052(3) Uani 1 1 d . U . . .
C50 C 0.3452(8) 0.2414(7) 0.7657(5) 0.041(3) Uani 1 1 d . U . . .
H50A H 0.300671 0.233989 0.748796 0.061 Uiso 1 1 calc R U . . .
H50B H 0.396770 0.210898 0.762992 0.061 Uiso 1 1 calc R U . . .
H50C H 0.348243 0.287769 0.751596 0.061 Uiso 1 1 calc R U . . .
C51 C 0.5117(9) 0.3725(8) 1.1308(5) 0.046(3) Uani 1 1 d . U . . .
C52 C 0.4985(8) 0.3623(7) 0.6906(5) 0.040(3) Uani 1 1 d . U . . .
F91 F 1.1402(10) 0.0968(7) 0.7872(4) 0.122(5) Uani 1 1 d . U . . .
C53 C 1.0993(10) 0.1069(8) 0.6314(6) 0.051(3) Uani 1 1 d . U . . .
F92 F 0.3231(8) 0.1051(7) 0.4432(6) 0.116(4) Uani 1 1 d . U . . .
C55 C 0.9975(8) 0.3643(7) 0.3711(5) 0.038(2) Uani 1 1 d . U . . .
C56 C 0.6473(11) 0.3972(9) 0.4005(7) 0.062(3) Uani 1 1 d . U . . .
C57 C 0.7542(8) 0.2712(8) 0.2788(5) 0.042(3) Uani 1 1 d . U . . .
C58 C 1.0937(8) 0.2906(7) 0.5280(5) 0.034(2) Uani 1 1 d . U . . .
C59 C 0.1484(10) 0.1132(8) 1.0482(6) 0.052(3) Uani 1 1 d . U . . .
C60 C 0.9931(4) 0.2901(4) 0.1041(2) 0.041(3) Uani 1 1 d G U . . .
C22 C 0.9132(5) 0.3280(4) 0.1011(2) 0.038(3) Uani 1 1 d G U . . .
H22 H 0.887933 0.358874 0.071252 0.045 Uiso 1 1 calc R U . . .
C13 C 0.8704(3) 0.3207(4) 0.1418(3) 0.032(2) Uani 1 1 d G U . . .
H13 H 0.815798 0.346621 0.139682 0.038 Uiso 1 1 calc R U . . .
C12 C 0.9074(4) 0.2755(4) 0.1854(2) 0.029(2) Uani 1 1 d G U . . .
C9 C 0.9873(4) 0.2376(4) 0.1885(2) 0.028(2) Uani 1 1 d G U . . .
H9 H 1.012592 0.206766 0.218316 0.033 Uiso 1 1 calc R U . . .
C2 C 1.0301(3) 0.2449(4) 0.1478(3) 0.036(2) Uani 1 1 d G U . . .
H2 H 1.084728 0.219019 0.149886 0.043 Uiso 1 1 calc R U . . .
C61 C 0.6261(11) 0.0830(9) 1.1797(6) 0.061(3) Uani 1 1 d . U . . .
H61 H 0.613189 0.041042 1.190592 0.073 Uiso 1 1 calc R U . . .
C62 C 0.2512(7) 0.2756(7) 0.8268(5) 0.035(2) Uani 1 1 d . U . . .
C63 C 0.6458(9) 0.1147(7) 0.8794(5) 0.043(3) Uani 1 1 d . U . . .
F93 F 0.0896(11) 0.0306(6) 0.9491(5) 0.121(5) Uani 1 1 d . U . . .
C64 C 1.0222(9) 0.4272(7) 0.5926(5) 0.042(3) Uani 1 1 d . U . . .
H64 H 1.037088 0.467515 0.577047 0.050 Uiso 1 1 calc R U . . .
C65 C 0.9478(9) 0.4193(7) 0.5797(5) 0.044(3) Uani 1 1 d . U . . .
C66 C 0.3369(10) 0.1548(8) 0.8423(6) 0.053(4) Uani 1 1 d . U . . .
H66A H 0.298290 0.139730 0.826401 0.080 Uiso 1 1 calc R U . . .
H66B H 0.324151 0.148958 0.875514 0.080 Uiso 1 1 calc R U . . .
H66C H 0.392404 0.128333 0.841715 0.080 Uiso 1 1 calc R U . . .
C67 C 0.8518(8) 0.2227(7) 0.8098(5) 0.037(2) Uani 1 1 d . U . . .
C68 C 0.5410(9) 0.4101(8) 0.6832(5) 0.043(3) Uani 1 1 d . U . . .
H68 H 0.528485 0.447434 0.654723 0.052 Uiso 1 1 calc R U . . .
C69 C 1.0939(9) 0.3714(8) 0.1878(6) 0.048(3) Uani 1 1 d . U . . .
C70 C 0.3892(10) 0.4844(8) 0.4661(6) 0.055(3) Uani 1 1 d . U . . .
F94 F 0.6435(10) 0.0888(7) 0.6289(4) 0.115(5) Uani 1 1 d . U . . .
C71 C 0.8790(9) 0.4643(8) 0.2042(6) 0.053(3) Uani 1 1 d . U . . .
C72 C 0.8902(10) 0.4798(8) 0.5436(6) 0.055(3) Uani 1 1 d . U . . .
C73 C 1.0399(9) 0.2917(8) 0.0642(5) 0.046(3) Uani 1 1 d . U . . .
F95 F 0.8024(11) 0.0594(7) 0.6838(5) 0.121(5) Uani 1 1 d . U . . .
C1A C 0.8342(8) 0.2268(7) 0.3102(5) 0.037(3) Uani 1 1 d . U . . .
C74 C 0.6015(8) 0.4053(7) 0.7163(5) 0.040(3) Uani 1 1 d . U . . .
C75 C 0.6223(11) 0.1198(9) 1.2110(6) 0.061(3) Uani 1 1 d . U . . .
C76 C 1.0945(9) 0.4123(8) 0.3237(5) 0.045(3) Uani 1 1 d . U . . .
C77 C 1.1709(9) 0.1261(7) 0.2892(5) 0.044(3) Uani 1 1 d . U . . .
C78 C 0.6823(10) 0.2406(10) 0.2867(6) 0.065(5) Uani 1 1 d . U . . .
H78A H 0.632449 0.274887 0.271289 0.097 Uiso 1 1 calc R U . . .
H78B H 0.677039 0.222844 0.321105 0.097 Uiso 1 1 calc R U . . .
H78C H 0.691034 0.204159 0.272860 0.097 Uiso 1 1 calc R U . . .
C79 C 0.9343(10) 0.3697(9) 0.4075(6) 0.052(3) Uani 1 1 d . U . . .
C80 C 0.5196(9) 0.4303(7) 0.4409(5) 0.042(3) Uani 1 1 d . U . . .
H80 H 0.535519 0.470005 0.438389 0.051 Uiso 1 1 calc R U . . .
F96 F 0.7177(10) 0.0508(9) 1.0820(7) 0.140(6) Uani 1 1 d . U . . .
F97 F 0.5365(9) 0.0633(8) 0.6228(5) 0.145(7) Uani 1 1 d . U . . .
C82 C 0.5899(9) 0.1104(7) 0.5512(5) 0.044(3) Uani 1 1 d . U . . .
C83 C 0.4351(10) 0.3675(9) 0.6514(6) 0.056(3) Uani 1 1 d . U . . .
C84 C 0.8529(9) 0.2098(8) 0.5770(6) 0.048(3) Uani 1 1 d . U . . .
C85 C 1.1501(11) 0.3939(9) 0.6452(7) 0.059(3) Uani 1 1 d . U . . .
C86 C 0.6298(9) 0.0784(7) 0.8502(6) 0.047(3) Uani 1 1 d . U . . .
H86 H 0.641388 0.031039 0.862645 0.056 Uiso 1 1 calc R U . . .
C87 C 0.3732(10) 0.1464(9) 0.4987(7) 0.057(3) Uani 1 1 d . U . . .
C88 C 0.5970(9) 0.1116(7) 0.8031(6) 0.046(3) Uani 1 1 d . U . . .
C89 C 0.6481(10) 0.4594(8) 0.7042(6) 0.050(3) Uani 1 1 d . U . . .
C90 C 1.4060(9) 0.2769(8) 0.3278(5) 0.046(3) Uani 1 1 d . U . . .
C91 C 1.2192(12) 0.0937(9) 0.2549(7) 0.061(4) Uani 1 1 d . U . . .
C92 C 0.5345(9) 0.4226(8) 1.0940(5) 0.044(3) Uani 1 1 d . U . . .
H92 H 0.494022 0.462402 1.077667 0.052 Uiso 1 1 calc R U . . .
F98 F 0.5552(11) 0.1277(7) 1.2793(5) 0.133(5) Uani 1 1 d . U . . .
C93 C 0.4257(11) 0.3907(10) 1.1462(7) 0.066(4) Uani 1 1 d . U . . .
C94 C 0.4467(9) 0.4239(7) 0.4582(5) 0.044(3) Uani 1 1 d . U . . .
C95 C 0.3737(9) 0.1516(8) 1.0435(5) 0.047(3) Uani 1 1 d . U . . .
H95 H 0.416599 0.118839 1.064887 0.057 Uiso 1 1 calc R U . . .
C96 C 0.1767(9) 0.2486(10) 0.8341(6) 0.059(4) Uani 1 1 d . U . . .
H96A H 0.189684 0.205591 0.859938 0.089 Uiso 1 1 calc R U . . .
H96B H 0.159852 0.242170 0.804487 0.089 Uiso 1 1 calc R U . . .
H96C H 0.132336 0.280399 0.842551 0.089 Uiso 1 1 calc R U . . .
C97 C 0.8919(10) 0.1478(8) 0.8187(6) 0.059(4) Uani 1 1 d . U . . .
H97A H 0.937428 0.132362 0.843381 0.088 Uiso 1 1 calc R U . . .
H97B H 0.912210 0.141366 0.789016 0.088 Uiso 1 1 calc R U . . .
H97C H 0.851689 0.122129 0.829499 0.088 Uiso 1 1 calc R U . . .
F99 F 1.0533(10) 0.0480(8) 0.5882(6) 0.125(5) Uani 1 1 d . U . . .
F100 F 0.6730(11) 0.0720(8) 1.2924(5) 0.120(5) Uani 1 1 d . U . . .
C98 C 0.9624(8) 0.4113(7) 0.2147(5) 0.042(3) Uani 1 1 d . U . . .
C99 C 0.8441(10) 0.1508(8) 0.3209(6) 0.054(4) Uani 1 1 d . U . . .
H99A H 0.830445 0.142325 0.291529 0.081 Uiso 1 1 calc R U . . .
H99B H 0.807595 0.135677 0.345157 0.081 Uiso 1 1 calc R U . . .
H99C H 0.900616 0.126335 0.332788 0.081 Uiso 1 1 calc R U . . .
C100 C 1.1294(10) 0.1277(7) 0.7029(6) 0.047(3) Uani 1 1 d . U . . .
C101 C -0.0803(10) 0.3900(9) 0.9041(7) 0.058(3) Uani 1 1 d . U . . .
C102 C 0.6474(12) 0.1044(9) 1.1344(7) 0.064(3) Uani 1 1 d . U . . .
C103 C 1.1244(10) 0.1153(7) 0.3690(5) 0.046(3) Uani 1 1 d . U . . .
F101 F 0.1362(13) 0.0956(9) 0.8962(6) 0.139(5) Uani 1 1 d . U . . .
C104 C 0.0238(8) 0.4254(7) 0.9400(5) 0.040(3) Uani 1 1 d . U . . .
H104 H -0.018504 0.463925 0.938617 0.049 Uiso 1 1 calc R U . . .
C105 C 0.6130(9) 0.4160(8) 1.0809(5) 0.046(3) Uani 1 1 d . U . . .
C106 C 0.6876(10) 0.0749(8) 0.9297(6) 0.055(3) Uani 1 1 d . U . . .
C107 C 0.5791(12) 0.0695(8) 0.7743(7) 0.062(3) Uani 1 1 d . U . . .
C108 C 0.8458(10) 0.1549(8) 0.6138(6) 0.051(3) Uani 1 1 d . U . . .
H108 H 0.819107 0.124594 0.607438 0.061 Uiso 1 1 calc R U . . .
C109 C 0.3644(12) 0.2177(11) 1.0989(7) 0.069(4) Uani 1 1 d . U . . .
F102 F 1.2221(10) 0.1487(6) 0.7508(6) 0.135(6) Uani 1 1 d . U . . .
C110 C 1.1678(10) 0.0883(8) 0.3360(5) 0.049(3) Uani 1 1 d . U . . .
H110 H 1.196313 0.042269 0.346458 0.059 Uiso 1 1 calc R U . . .
C111 C 0.1163(11) 0.1232(9) 0.9671(6) 0.060(3) Uani 1 1 d . U . . .
C112 C 0.1215(11) 0.4810(9) 0.9642(7) 0.059(3) Uani 1 1 d . U . . .
C113 C 0.1482(11) 0.0743(9) 1.1018(6) 0.058(3) Uani 1 1 d . U . . .
C114 C 1.0183(9) 0.4193(8) 0.1808(5) 0.046(3) Uani 1 1 d . U . . .
H114 H 1.005664 0.457115 0.152645 0.056 Uiso 1 1 calc R U . . .
F103 F 0.9360(9) 0.1756(9) 1.0283(5) 0.140(5) Uani 1 1 d . U . . .
C115 C 0.6535(10) 0.3741(9) 0.9061(7) 0.063(3) Uani 1 1 d . U . . .
C116 C 0.8574(9) 0.1365(8) 1.1635(6) 0.050(3) Uani 1 1 d . U . . .
C117 C 0.9032(9) 0.2690(7) 0.7782(5) 0.041(3) Uani 1 1 d . U . . .
C118 C 0.6343(11) 0.4735(9) 1.0464(6) 0.061(3) Uani 1 1 d . U . . .
C119 C 1.1163(12) 0.0685(9) 0.4170(6) 0.062(4) Uani 1 1 d . U . . .
C120 C 0.8642(14) 0.0809(10) 0.6988(8) 0.072(4) Uani 1 1 d . U . . .
C121 C 0.8332(10) 0.1998(9) 1.0799(6) 0.057(3) Uani 1 1 d . U . . .
C122 C 1.1416(10) 0.4672(8) 0.3108(6) 0.052(3) Uani 1 1 d . U . . .
C123 C 0.2305(11) 0.3465(9) 0.7906(6) 0.064(5) Uani 1 1 d . U . . .
H12A H 0.188579 0.376202 0.802477 0.096 Uiso 1 1 calc R U . . .
H12B H 0.210034 0.345541 0.759862 0.096 Uiso 1 1 calc R U . . .
H12C H 0.279515 0.362961 0.786397 0.096 Uiso 1 1 calc R U . . .
F104 F 0.9258(10) 0.0330(8) 0.7088(6) 0.138(5) Uani 1 1 d . U . . .
C124 C 0.9109(11) 0.0786(9) 1.2028(7) 0.062(4) Uani 1 1 d . U . . .
C125 C 0.3430(10) 0.1560(9) 0.5393(6) 0.054(3) Uani 1 1 d . U . . .
H125 H 0.317005 0.124446 0.558804 0.065 Uiso 1 1 calc R U . . .
C126 C 1.1827(13) 0.1037(9) 0.7502(8) 0.072(4) Uani 1 1 d . U . . .
C127 C 1.1500(12) 0.3798(10) 0.1473(7) 0.071(4) Uani 1 1 d . U . . .
C128 C 0.6033(12) 0.0650(9) 0.6026(6) 0.063(4) Uani 1 1 d . U . . .
C129 C 0.8127(12) 0.2225(10) 0.5279(7) 0.063(3) Uani 1 1 d . U . . .
F105 F 0.3176(12) 0.0541(8) 0.5129(7) 0.139(5) Uani 1 1 d . U . . .
F106 F 0.6324(12) 0.0079(7) 1.1205(6) 0.132(5) Uani 1 1 d . U . . .
F107 F 0.0195(12) 0.1265(9) 0.9110(7) 0.167(7) Uani 1 1 d . U . . .
C130 C 0.8771(10) 0.1453(8) 1.1176(6) 0.053(3) Uani 1 1 d . U . . .
H130 H 0.921571 0.113718 1.111187 0.064 Uiso 1 1 calc R U . . .
C131 C 0.6045(17) 0.0873(11) 1.2631(9) 0.091(4) Uani 1 1 d . U . . .
C132 C 0.9910(9) 0.2413(10) 0.7843(6) 0.066(5) Uani 1 1 d . U . . .
H13A H 1.011454 0.237904 0.816207 0.098 Uiso 1 1 calc R U . . .
H13B H 1.016553 0.270545 0.760006 0.098 Uiso 1 1 calc R U . . .
H13C H 1.004119 0.196675 0.780688 0.098 Uiso 1 1 calc R U . . .
C133 C 0.3649(13) 0.0871(11) 0.4855(9) 0.080(4) Uani 1 1 d . U . . .
C134 C 0.6914(12) 0.1074(9) 0.4368(7) 0.068(4) Uani 1 1 d . U . . .
C135 C 1.1180(14) 0.0627(9) 0.5995(8) 0.071(4) Uani 1 1 d . U . . .
C136 C 0.0882(17) 0.0926(11) 0.9320(9) 0.091(4) Uani 1 1 d . U . . .
C137 C 0.8768(13) 0.3382(9) 0.7818(7) 0.068(5) Uani 1 1 d . U . . .
H13D H 0.817400 0.351165 0.782356 0.101 Uiso 1 1 calc R U . . .
H13E H 0.893113 0.369749 0.754114 0.101 Uiso 1 1 calc R U . . .
H13F H 0.902480 0.339001 0.811228 0.101 Uiso 1 1 calc R U . . .
C138 C 0.7312(12) 0.3427(9) 0.2808(6) 0.066(5) Uani 1 1 d . U . . .
H13G H 0.778204 0.361732 0.274099 0.098 Uiso 1 1 calc R U . . .
H13H H 0.714959 0.342292 0.312787 0.098 Uiso 1 1 calc R U . . .
H13I H 0.685800 0.370025 0.256948 0.098 Uiso 1 1 calc R U . . .
C139 C 0.6455(16) 0.0661(11) 1.1009(9) 0.086(4) Uani 1 1 d . U . . .
C140 C 1.3914(13) 0.1564(11) 0.3400(9) 0.089(6) Uani 1 1 d . U . . .
H14A H 1.407271 0.149179 0.373534 0.134 Uiso 1 1 calc DR U . . .
H14B H 1.439594 0.141132 0.324209 0.134 Uiso 1 1 calc R U . . .
H14C H 1.351679 0.131101 0.338437 0.134 Uiso 1 1 calc R U . . .
C141 C 1.3509(10) 0.2354(9) 0.3132(6) 0.058(3) Uani 1 1 d . U . . .
C142 C 0.8651(13) 0.2096(13) 1.0314(7) 0.078(4) Uani 1 1 d . U . . .
C143 C 1.3798(15) 0.3467(12) 0.2906(8) 0.094(6) Uani 1 1 d . U . . .
H14D H 1.322480 0.356277 0.279368 0.141 Uiso 1 1 calc R U . . .
H14E H 1.413519 0.348319 0.263492 0.141 Uiso 1 1 calc R U . . .
H14F H 1.386681 0.380089 0.305051 0.141 Uiso 1 1 calc R U . . .
C144 C 1.4876(12) 0.2436(13) 0.3378(8) 0.092(6) Uani 1 1 d . U . . .
H14G H 1.516050 0.268856 0.351170 0.137 Uiso 1 1 calc R U . . .
H14H H 1.511185 0.239260 0.308247 0.137 Uiso 1 1 calc R U . . .
H14I H 1.493526 0.198951 0.360961 0.137 Uiso 1 1 calc DR U . . .
C145 C 0.3100(13) 0.2197(12) 0.5973(8) 0.073(4) Uani 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
Dy6 O3 2.354(8) . ?
Dy6 O8 2.362(9) . ?
Dy6 O15 2.380(8) . ?
Dy6 O17 2.366(8) . ?
Dy6 O18 2.365(10) . ?
Dy6 O1A 2.374(8) . ?
Dy6 O37 2.379(9) . ?
Dy6 O43 2.357(8) . ?
Dy3 O2 2.377(10) . ?
Dy3 O4 2.355(9) . ?
Dy3 O7 2.353(8) . ?
Dy3 O9 2.377(8) . ?
Dy3 O13 2.356(10) . ?
Dy3 O16 2.352(9) . ?
Dy3 O22 2.380(9) . ?
Dy3 O23 2.387(8) . ?
Dy2 O6 2.389(9) . ?
Dy2 O20 2.368(10) . ?
Dy2 O21 2.342(9) . ?
Dy2 O28 2.364(9) . ?
Dy2 O35 2.368(11) . ?
Dy2 O36 2.371(10) . ?
Dy2 O42 2.372(9) . ?
Dy2 N9 2.544(10) 1_456 ?
Dy5 O5 2.376(10) . ?
Dy5 O10 2.381(8) 1_455 ?
Dy5 O27 2.375(10) . ?
Dy5 O29 2.359(10) . ?
Dy5 O31 2.355(9) . ?
Dy5 O32 2.344(9) . ?
Dy5 O33 2.354(10) . ?
Dy5 N10 2.522(12) . ?
Dy4 O1 2.381(8) . ?
Dy4 O11 2.338(9) . ?
Dy4 O12 2.355(9) . ?
Dy4 O14 2.360(10) . ?
Dy4 O19 2.360(9) . ?
Dy4 O26 2.364(9) . ?
Dy4 O41 2.329(9) . ?
Dy4 N8 2.549(11) . ?
Dy1 O24 2.375(9) . ?
Dy1 O25 2.361(10) . ?
Dy1 O30 2.374(9) . ?
Dy1 O34 2.377(9) 1_556 ?
Dy1 O38 2.362(10) . ?
Dy1 O39 2.352(12) . ?
Dy1 O40 2.375(11) . ?
Dy1 N12 2.551(12) . ?
O1 N3 1.322(13) . ?
F1 C85 1.347(19) . ?
O2 C88 1.256(17) . ?
F2 C70 1.323(18) . ?
F3 C56 1.316(19) . ?
O3 C55 1.261(15) . ?
F4 C71 1.308(19) . ?
F5 C49 1.339(19) . ?
F6 C72 1.354(19) . ?
O4 C52 1.271(17) . ?
F7 C93 1.33(2) . ?
O5 C30 1.224(17) . ?
F8 C112 1.35(2) . ?
F9 C89 1.311(18) . ?
O6 N1 1.326(12) . ?
F10 C122 1.338(19) . ?
O7 N2 1.326(12) . ?
F11 C71 1.304(19) . ?
O8 C69 1.234(18) . ?
O9 C45 1.257(16) . ?
F12 C71 1.35(2) . ?
F13 C106 1.336(19) . ?
F14 C34 1.289(18) . ?
F15 C49 1.327(19) . ?
F16 C70 1.340(19) . ?
O10 N6 1.284(13) . ?
F17 C106 1.341(18) . ?
O11 C84 1.263(18) . ?
O12 C53 1.267(18) . ?
O13 C74 1.248(17) . ?
O14 C39 1.241(18) . ?
F18 C122 1.292(19) . ?
F19 C118 1.334(19) . ?
O15 C98 1.243(17) . ?
O16 C33 1.224(16) . ?
O17 N4 1.282(13) . ?
O18 C76 1.235(17) . ?
F20 C113 1.347(18) . ?
O19 C65 1.235(18) . ?
O20 C36 1.277(17) . ?
F21 C34 1.37(2) . ?
F22 C89 1.328(18) . ?
C1 H1 0.9500 . ?
C1 C40 1.3900 . ?
C1 C11 1.3900 . ?
C40 C81 1.3900 . ?
C40 C37 1.381(14) . ?
C81 H81 0.9500 . ?
C81 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C10 1.3900 . ?
C10 C11 1.3900 . ?
C10 C19 1.475(13) . ?
C11 H11 0.9500 . ?
F23 C89 1.353(18) . ?
O21 C46 1.242(18) . ?
O22 C63 1.238(17) . ?
O1A N7 1.307(15) . ?
O23 N11 1.310(14) . ?
N1 C19 1.286(16) . ?
N1 C62 1.519(15) . ?
O24 C116 1.242(18) . ?
F24 C112 1.369(19) . ?
F25 C101 1.36(2) . ?
O25 C121 1.222(19) . ?
O26 C18 1.233(17) . ?
F26 C49 1.333(19) . ?
O27 C82 1.250(17) . ?
O28 C17 1.260(16) . ?
O29 C41 1.247(19) . ?
O30 C51 1.234(17) . ?
F27 C72 1.34(2) . ?
O31 C94 1.271(18) . ?
O32 C47 1.209(17) . ?
F28 C122 1.353(18) . ?
O33 C87 1.26(2) . ?
O34 N5 1.290(13) . ?
O35 C59 1.21(2) . ?
O36 C111 1.23(2) . ?
O37 C103 1.247(17) . ?
O38 C105 1.290(18) . ?
N2 C19 1.331(16) . ?
N2 C28 1.510(16) . ?
O39 C75 1.22(2) . ?
O40 C102 1.24(2) . ?
O41 C100 1.248(17) . ?
F29 C134 1.31(2) . ?
F30 C34 1.311(17) . ?
F31 C91 1.30(2) . ?
O42 C42 1.254(17) . ?
F32 C118 1.33(2) . ?
F33 C101 1.31(2) . ?
F34 C124 1.31(2) . ?
O43 C77 1.239(17) . ?
F35 C106 1.32(2) . ?
F36 C91 1.35(2) . ?
F37 C107 1.33(2) . ?
F38 C107 1.318(19) . ?
F39 C101 1.337(19) . ?
F40 C113 1.35(2) . ?
N3 C32 1.259(17) . ?
N3 C117 1.527(17) . ?
F41 C113 1.29(2) . ?
F42 C145 1.31(2) . ?
F43 C79 1.33(2) . ?
F44 C126 1.33(2) . ?
F45 C145 1.23(2) . ?
F46 C56 1.31(2) . ?
F47 C120 1.25(2) . ?
F48 C119 1.32(2) . ?
F49 C128 1.31(2) . ?
F50 C115 1.30(2) . ?
F51 C142 1.27(3) . ?
N4 C31 1.349(16) . ?
N4 C1A 1.499(16) . ?
N5 C31 1.335(16) . ?
N5 C57 1.490(17) . ?
F52 C72 1.29(2) . ?
F53 C79 1.293(17) . ?
F54 C56 1.33(2) . ?
F1A C93 1.31(2) . ?
F55 C93 1.36(2) . ?
F56 C109 1.29(2) . ?
F57 C85 1.31(2) . ?
N6 C35 1.354(17) . ?
N6 C90 1.487(18) . ?
F58 C129 1.32(2) . ?
F59 C83 1.31(2) . ?
F60 C85 1.33(2) . ?
F61 C83 1.28(2) . ?
F62 C129 1.31(2) . ?
F63 C119 1.32(2) . ?
F64 C112 1.28(2) . ?
F65 C83 1.320(19) . ?
F66 C79 1.30(2) . ?
F67 C124 1.32(2) . ?
N7 C35 1.338(16) . ?
N7 C141 1.49(2) . ?
N8 C58 1.124(16) . ?
F68 C129 1.34(2) . ?
F69 C119 1.35(2) . ?
F70 C118 1.33(2) . ?
F71 C109 1.37(2) . ?
F72 C70 1.29(2) . ?
F73 C115 1.29(2) . ?
F74 C127 1.28(2) . ?
F75 C135 1.30(2) . ?
F76 C142 1.30(2) . ?
F77 C133 1.28(2) . ?
C6 H6 0.9500 . ?
C6 C23 1.3900 . ?
C6 C16 1.3900 . ?
C23 H23 0.9500 . ?
C23 C8 1.3900 . ?
C8 C3 1.3900 . ?
C8 C27 1.381(14) . ?
C3 H3 0.9500 . ?
C3 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C16 1.3900 . ?
C16 C32 1.516(13) . ?
F78 C91 1.28(2) . ?
F79 C107 1.33(2) . ?
F80 C115 1.30(2) . ?
F81 C135 1.29(2) . ?
F82 C109 1.30(2) . ?
N9 C73 1.125(18) . ?
N10 C27 1.164(17) . ?
F83 C139 1.29(2) . ?
N11 C32 1.296(17) . ?
N11 C67 1.525(16) . ?
F84 C124 1.31(2) . ?
F85 C134 1.32(2) . ?
F86 C145 1.34(2) . ?
C14 H14 0.9500 . ?
C14 C53 1.36(2) . ?
C14 C100 1.39(2) . ?
F87 C127 1.27(2) . ?
C17 C101 1.51(2) . ?
C17 C104 1.38(2) . ?
C18 C108 1.36(2) . ?
C18 C120 1.55(2) . ?
N12 C37 1.170(17) . ?
F88 C131 1.30(3) . ?
F89 C127 1.32(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C67 1.476(19) . ?
C21 H21 0.9500 . ?
C21 C47 1.41(2) . ?
C21 C82 1.41(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C1A 1.477(18) . ?
C26 H26 0.9500 . ?
C26 C54 1.3900 . ?
C26 C44 1.3900 . ?
C54 H54 0.9500 . ?
C54 C5 1.3900 . ?
C5 C4 1.3900 . ?
C5 C58 1.418(14) . ?
C4 H4 0.9500 . ?
C4 C7 1.3900 . ?
C7 H7 0.9500 . ?
C7 C44 1.3900 . ?
C44 C35 1.468(13) . ?
C28 C50 1.460(19) . ?
C28 C62 1.571(17) . ?
C28 C66 1.53(2) . ?
C29 H29 0.9500 . ?
C29 C55 1.36(2) . ?
C29 C76 1.38(2) . ?
C30 C56 1.55(2) . ?
C30 C80 1.426(19) . ?
C31 C12 1.488(14) . ?
F90 C134 1.34(2) . ?
C33 C48 1.393(19) . ?
C33 C115 1.54(2) . ?
C34 C45 1.542(19) . ?
C36 C104 1.39(2) . ?
C36 C112 1.50(2) . ?
C38 H38 0.9500 . ?
C38 C59 1.40(2) . ?
C38 C111 1.38(2) . ?
C39 C64 1.42(2) . ?
C39 C85 1.54(2) . ?
C41 C125 1.39(2) . ?
C41 C145 1.50(3) . ?
C42 C49 1.538(19) . ?
C42 C95 1.38(2) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 C141 1.41(2) . ?
C45 C48 1.392(19) . ?
C46 C95 1.42(2) . ?
C46 C109 1.47(2) . ?
C47 C134 1.54(2) . ?
C48 H48 0.9500 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C92 1.41(2) . ?
C51 C93 1.52(2) . ?
C52 C68 1.37(2) . ?
C52 C83 1.541(19) . ?
F91 C126 1.30(3) . ?
C53 C135 1.52(2) . ?
F92 C133 1.33(3) . ?
C55 C79 1.530(19) . ?
C57 C1A 1.559(19) . ?
C57 C78 1.52(2) . ?
C57 C138 1.53(2) . ?
C59 C113 1.55(2) . ?
C60 C22 1.3900 . ?
C60 C2 1.3900 . ?
C60 C73 1.417(16) . ?
C22 H22 0.9500 . ?
C22 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C2 1.3900 . ?
C2 H2 0.9500 . ?
C61 H61 0.9500 . ?
C61 C75 1.39(2) . ?
C61 C102 1.35(3) . ?
C62 C96 1.51(2) . ?
C62 C123 1.53(2) . ?
C63 C86 1.40(2) . ?
C63 C106 1.53(2) . ?
F93 C136 1.28(3) . ?
C64 H64 0.9500 . ?
C64 C65 1.39(2) . ?
C65 C72 1.52(2) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C97 1.54(2) . ?
C67 C117 1.58(2) . ?
C68 H68 0.9500 . ?
C68 C74 1.38(2) . ?
C69 C114 1.409(19) . ?
C69 C127 1.52(2) . ?
C70 C94 1.516(19) . ?
F94 C128 1.33(2) . ?
C71 C98 1.550(19) . ?
F95 C120 1.38(2) . ?
C1A C99 1.55(2) . ?
C74 C89 1.53(2) . ?
C75 C131 1.55(3) . ?
C76 C122 1.55(2) . ?
C77 C91 1.53(2) . ?
C77 C110 1.38(2) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C80 H80 0.9500 . ?
C80 C94 1.36(2) . ?
F96 C139 1.36(3) . ?
F97 C128 1.29(2) . ?
C82 C128 1.51(2) . ?
C84 C108 1.37(2) . ?
C84 C129 1.52(2) . ?
C86 H86 0.9500 . ?
C86 C88 1.40(2) . ?
C87 C125 1.36(2) . ?
C87 C133 1.50(2) . ?
C88 C107 1.51(2) . ?
C90 C141 1.59(2) . ?
C90 C143 1.53(3) . ?
C90 C144 1.38(2) . ?
C92 H92 0.9500 . ?
C92 C105 1.37(2) . ?
F98 C131 1.26(2) . ?
C95 H95 0.9500 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
F99 C135 1.29(2) . ?
F100 C131 1.36(3) . ?
C98 C114 1.38(2) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C126 1.54(2) . ?
C102 C139 1.48(3) . ?
C103 C110 1.41(2) . ?
C103 C119 1.50(2) . ?
F101 C136 1.33(3) . ?
C104 H104 0.9500 . ?
C105 C118 1.47(2) . ?
C108 H108 0.9500 . ?
F102 C126 1.32(2) . ?
C110 H110 0.9500 . ?
C111 C136 1.53(3) . ?
C114 H114 0.9500 . ?
F103 C142 1.27(2) . ?
C116 C124 1.51(2) . ?
C116 C130 1.36(2) . ?
C117 C132 1.45(2) . ?
C117 C137 1.50(2) . ?
C120 F104 1.24(2) . ?
C121 C130 1.40(2) . ?
C121 C142 1.50(3) . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C125 H125 0.9500 . ?
F105 C133 1.32(3) . ?
F106 C139 1.29(3) . ?
F107 C136 1.26(3) . ?
C130 H130 0.9500 . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C137 H13D 0.9800 . ?
C137 H13E 0.9800 . ?
C137 H13F 0.9800 . ?
C138 H13G 0.9800 . ?
C138 H13H 0.9800 . ?
C138 H13I 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C140 C141 1.62(3) . ?
C143 H14D 0.9800 . ?
C143 H14E 0.9800 . ?
C143 H14F 0.9800 . ?
C144 H14G 0.9800 . ?
C144 H14H 0.9800 . ?
C144 H14I 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
O3 Dy6 O8 139.6(3) . . ?
O3 Dy6 O15 77.9(3) . . ?
O3 Dy6 O17 89.5(3) . . ?
O3 Dy6 O18 72.4(3) . . ?
O3 Dy6 O1A 103.5(3) . . ?
O3 Dy6 O37 76.6(3) . . ?
O3 Dy6 O43 148.3(3) . . ?
O8 Dy6 O15 72.2(3) . . ?
O8 Dy6 O17 106.4(3) . . ?
O8 Dy6 O18 76.0(3) . . ?
O8 Dy6 O1A 89.9(3) . . ?
O8 Dy6 O37 143.3(3) . . ?
O17 Dy6 O15 73.0(3) . . ?
O17 Dy6 O1A 136.8(3) . . ?
O17 Dy6 O37 72.1(3) . . ?
O18 Dy6 O15 79.6(3) . . ?
O18 Dy6 O17 149.8(3) . . ?
O18 Dy6 O1A 72.3(4) . . ?
O18 Dy6 O37 124.2(3) . . ?
O1A Dy6 O15 149.7(4) . . ?
O1A Dy6 O37 71.4(3) . . ?
O37 Dy6 O15 136.4(3) . . ?
O43 Dy6 O8 71.9(3) . . ?
O43 Dy6 O15 121.1(3) . . ?
O43 Dy6 O17 74.5(3) . . ?
O43 Dy6 O18 132.3(3) . . ?
O43 Dy6 O1A 73.2(3) . . ?
O43 Dy6 O37 72.5(3) . . ?
O2 Dy3 O22 72.6(3) . . ?
O2 Dy3 O23 72.3(3) . . ?
O4 Dy3 O2 74.0(3) . . ?
O4 Dy3 O9 76.5(3) . . ?
O4 Dy3 O13 72.4(3) . . ?
O4 Dy3 O22 145.8(3) . . ?
O4 Dy3 O23 104.4(3) . . ?
O7 Dy3 O2 72.4(3) . . ?
O7 Dy3 O4 91.0(3) . . ?
O7 Dy3 O9 72.8(3) . . ?
O7 Dy3 O13 150.3(3) . . ?
O7 Dy3 O22 72.2(3) . . ?
O7 Dy3 O23 135.4(3) . . ?
O9 Dy3 O2 133.3(3) . . ?
O9 Dy3 O22 123.4(3) . . ?
O9 Dy3 O23 151.1(3) . . ?
O13 Dy3 O2 123.3(3) . . ?
O13 Dy3 O9 79.4(3) . . ?
O13 Dy3 O22 134.1(3) . . ?
O13 Dy3 O23 73.7(3) . . ?
O16 Dy3 O2 146.3(3) . . ?
O16 Dy3 O4 139.6(3) . . ?
O16 Dy3 O7 103.2(3) . . ?
O16 Dy3 O9 72.2(3) . . ?
O16 Dy3 O13 77.2(3) . . ?
O16 Dy3 O22 74.3(3) . . ?
O16 Dy3 O23 91.6(3) . . ?
O22 Dy3 O23 72.0(3) . . ?
O6 Dy2 N9 140.4(3) . 1_456 ?
O20 Dy2 O6 71.4(3) . . ?
O20 Dy2 O36 145.7(3) . . ?
O20 Dy2 O42 125.5(3) . . ?
O20 Dy2 N9 72.4(4) . 1_456 ?
O21 Dy2 O6 104.7(3) . . ?
O21 Dy2 O20 77.0(3) . . ?
O21 Dy2 O28 145.4(3) . . ?
O21 Dy2 O35 75.0(4) . . ?
O21 Dy2 O36 137.3(3) . . ?
O21 Dy2 O42 73.3(3) . . ?
O21 Dy2 N9 81.9(4) . 1_456 ?
O28 Dy2 O6 81.3(3) . . ?
O28 Dy2 O20 72.8(3) . . ?
O28 Dy2 O35 115.5(4) . . ?
O28 Dy2 O36 74.6(3) . . ?
O28 Dy2 O42 139.3(3) . . ?
O28 Dy2 N9 73.3(3) . 1_456 ?
O35 Dy2 O6 151.6(3) . . ?
O35 Dy2 O20 133.8(3) . . ?
O35 Dy2 O36 71.1(4) . . ?
O35 Dy2 O42 79.5(3) . . ?
O35 Dy2 N9 67.9(4) . 1_456 ?
O36 Dy2 O6 93.7(3) . . ?
O36 Dy2 O42 75.7(3) . . ?
O36 Dy2 N9 107.8(4) . 1_456 ?
O42 Dy2 O6 73.5(3) . . ?
O42 Dy2 N9 143.2(4) . 1_456 ?
O5 Dy5 O10 78.9(3) . 1_455 ?
O5 Dy5 N10 74.1(4) . . ?
O10 Dy5 N10 142.1(4) 1_455 . ?
O27 Dy5 O5 120.4(3) . . ?
O27 Dy5 O10 149.0(3) . 1_455 ?
O27 Dy5 N10 68.9(4) . . ?
O29 Dy5 O5 145.9(3) . . ?
O29 Dy5 O10 106.0(3) . 1_455 ?
O29 Dy5 O27 72.5(3) . . ?
O29 Dy5 N10 83.6(4) . . ?
O31 Dy5 O5 73.0(3) . . ?
O31 Dy5 O10 73.4(3) . 1_455 ?
O31 Dy5 O27 133.0(3) . . ?
O31 Dy5 O29 76.1(4) . . ?
O31 Dy5 N10 73.6(3) . . ?
O32 Dy5 O5 73.1(3) . . ?
O32 Dy5 O10 94.4(3) . 1_455 ?
O32 Dy5 O27 71.4(3) . . ?
O32 Dy5 O29 138.1(3) . . ?
O32 Dy5 O31 145.6(4) . . ?
O32 Dy5 O33 78.4(3) . . ?
O32 Dy5 N10 102.5(4) . . ?
O33 Dy5 O5 138.0(3) . . ?
O33 Dy5 O10 73.1(3) . 1_455 ?
O33 Dy5 O27 77.0(4) . . ?
O33 Dy5 O29 73.3(3) . . ?
O33 Dy5 O31 125.4(3) . . ?
O33 Dy5 N10 143.3(4) . . ?
O1 Dy4 N8 143.5(3) . . ?
O11 Dy4 O1 107.3(3) . . ?
O11 Dy4 O12 75.3(3) . . ?
O11 Dy4 O14 143.7(3) . . ?
O11 Dy4 O19 76.1(3) . . ?
O11 Dy4 O26 73.0(3) . . ?
O11 Dy4 N8 80.0(4) . . ?
O12 Dy4 O1 147.3(3) . . ?
O12 Dy4 O14 116.4(3) . . ?
O12 Dy4 O19 135.9(3) . . ?
O12 Dy4 O26 76.7(3) . . ?
O12 Dy4 N8 69.1(4) . . ?
O14 Dy4 O1 81.4(3) . . ?
O14 Dy4 O26 141.5(3) . . ?
O14 Dy4 N8 73.8(4) . . ?
O19 Dy4 O1 74.0(3) . . ?
O19 Dy4 O14 72.7(3) . . ?
O19 Dy4 O26 124.8(3) . . ?
O19 Dy4 N8 73.3(3) . . ?
O26 Dy4 O1 73.3(3) . . ?
O26 Dy4 N8 140.7(3) . . ?
O41 Dy4 O1 89.7(3) . . ?
O41 Dy4 O11 140.6(3) . . ?
O41 Dy4 O12 71.8(3) . . ?
O41 Dy4 O14 72.5(3) . . ?
O41 Dy4 O19 143.3(3) . . ?
O41 Dy4 O26 78.8(3) . . ?
O41 Dy4 N8 107.3(4) . . ?
O24 Dy1 O34 73.6(3) . 1_556 ?
O24 Dy1 N12 142.7(4) . . ?
O25 Dy1 O24 72.6(4) . . ?
O25 Dy1 O30 143.7(3) . . ?
O25 Dy1 O34 108.2(3) . 1_556 ?
O25 Dy1 O38 75.9(4) . . ?
O25 Dy1 O40 75.5(4) . . ?
O25 Dy1 N12 79.7(4) . . ?
O30 Dy1 O24 141.8(3) . . ?
O30 Dy1 O34 80.5(3) . 1_556 ?
O30 Dy1 O40 114.6(4) . . ?
O30 Dy1 N12 72.7(4) . . ?
O34 Dy1 N12 140.3(4) 1_556 . ?
O38 Dy1 O24 123.0(4) . . ?
O38 Dy1 O30 73.3(4) . . ?
O38 Dy1 O34 72.9(3) . 1_556 ?
O38 Dy1 O40 134.6(4) . . ?
O38 Dy1 N12 71.6(4) . . ?
O39 Dy1 O24 76.1(4) . . ?
O39 Dy1 O25 137.5(4) . . ?
O39 Dy1 O30 75.9(4) . . ?
O39 Dy1 O34 89.2(4) . 1_556 ?
O39 Dy1 O38 146.4(4) . . ?
O39 Dy1 O40 71.3(4) . . ?
O39 Dy1 N12 111.3(4) . . ?
O40 Dy1 O24 79.8(4) . . ?
O40 Dy1 O34 150.3(3) . 1_556 ?
O40 Dy1 N12 69.2(4) . . ?
N3 O1 Dy4 137.7(7) . . ?
C88 O2 Dy3 135.3(9) . . ?
C55 O3 Dy6 133.6(8) . . ?
C52 O4 Dy3 133.2(8) . . ?
C30 O5 Dy5 132.4(9) . . ?
N1 O6 Dy2 135.6(7) . . ?
N2 O7 Dy3 143.0(7) . . ?
C69 O8 Dy6 135.5(8) . . ?
C45 O9 Dy3 134.2(8) . . ?
N6 O10 Dy5 137.8(8) . 1_655 ?
C84 O11 Dy4 131.9(10) . . ?
C53 O12 Dy4 136.3(9) . . ?
C74 O13 Dy3 134.4(9) . . ?
C39 O14 Dy4 131.8(9) . . ?
C98 O15 Dy6 133.6(9) . . ?
C33 O16 Dy3 135.2(8) . . ?
N4 O17 Dy6 143.4(8) . . ?
C76 O18 Dy6 133.9(9) . . ?
C65 O19 Dy4 132.6(9) . . ?
C36 O20 Dy2 132.3(9) . . ?
C40 C1 H1 120.0 . . ?
C40 C1 C11 120.0 . . ?
C11 C1 H1 120.0 . . ?
C81 C40 C1 120.0 . . ?
C37 C40 C1 117.1(7) . . ?
C37 C40 C81 122.9(7) . . ?
C40 C81 H81 120.0 . . ?
C40 C81 C15 120.0 . . ?
C15 C81 H81 120.0 . . ?
C81 C15 H15 120.0 . . ?
C10 C15 C81 120.0 . . ?
C10 C15 H15 120.0 . . ?
C15 C10 C19 120.6(7) . . ?
C11 C10 C15 120.0 . . ?
C11 C10 C19 119.1(6) . . ?
C1 C11 H11 120.0 . . ?
C10 C11 C1 120.0 . . ?
C10 C11 H11 120.0 . . ?
C46 O21 Dy2 133.1(10) . . ?
C63 O22 Dy3 133.9(9) . . ?
N7 O1A Dy6 143.0(9) . . ?
N11 O23 Dy3 139.3(8) . . ?
O6 N1 C62 117.1(9) . . ?
C19 N1 O6 127.6(10) . . ?
C19 N1 C62 114.7(10) . . ?
C116 O24 Dy1 131.4(9) . . ?
C121 O25 Dy1 131.5(11) . . ?
C18 O26 Dy4 130.8(10) . . ?
C82 O27 Dy5 135.4(9) . . ?
C17 O28 Dy2 131.1(9) . . ?
C41 O29 Dy5 131.3(10) . . ?
C51 O30 Dy1 131.4(10) . . ?
C94 O31 Dy5 132.6(9) . . ?
C47 O32 Dy5 137.9(10) . . ?
C87 O33 Dy5 131.0(10) . . ?
N5 O34 Dy1 138.9(8) . 1_554 ?
C59 O35 Dy2 135.6(10) . . ?
C111 O36 Dy2 135.9(10) . . ?
C103 O37 Dy6 133.1(9) . . ?
C105 O38 Dy1 132.0(9) . . ?
O7 N2 C19 126.2(10) . . ?
O7 N2 C28 117.6(9) . . ?
C19 N2 C28 115.3(10) . . ?
C75 O39 Dy1 135.6(11) . . ?
C102 O40 Dy1 136.6(11) . . ?
C100 O41 Dy4 134.6(9) . . ?
C42 O42 Dy2 129.8(9) . . ?
C77 O43 Dy6 136.7(9) . . ?
O1 N3 C117 116.8(10) . . ?
C32 N3 O1 128.9(10) . . ?
C32 N3 C117 113.8(10) . . ?
O17 N4 C31 126.4(10) . . ?
O17 N4 C1A 120.5(10) . . ?
C31 N4 C1A 112.6(10) . . ?
O34 N5 C31 126.2(11) . . ?
O34 N5 C57 121.0(10) . . ?
C31 N5 C57 111.9(10) . . ?
O10 N6 C35 124.3(11) . . ?
O10 N6 C90 121.8(11) . . ?
C35 N6 C90 113.8(10) . . ?
O1A N7 C35 125.5(11) . . ?
O1A N7 C141 116.5(11) . . ?
C35 N7 C141 115.6(11) . . ?
C58 N8 Dy4 165.8(11) . . ?
C23 C6 H6 120.0 . . ?
C23 C6 C16 120.0 . . ?
C16 C6 H6 120.0 . . ?
C6 C23 H23 120.0 . . ?
C6 C23 C8 120.0 . . ?
C8 C23 H23 120.0 . . ?
C3 C8 C23 120.0 . . ?
C27 C8 C23 120.8(8) . . ?
C27 C8 C3 119.2(8) . . ?
C8 C3 H3 120.0 . . ?
C8 C3 C24 120.0 . . ?
C24 C3 H3 120.0 . . ?
C3 C24 H24 120.0 . . ?
C16 C24 C3 120.0 . . ?
C16 C24 H24 120.0 . . ?
C6 C16 C32 119.9(7) . . ?
C24 C16 C6 120.0 . . ?
C24 C16 C32 120.0(7) . . ?
C73 N9 Dy2 163.4(12) . 1_654 ?
C27 N10 Dy5 166.2(12) . . ?
O23 N11 C67 116.1(10) . . ?
C32 N11 O23 130.5(11) . . ?
C32 N11 C67 111.9(10) . . ?
C53 C14 H14 120.4 . . ?
C53 C14 C100 119.3(14) . . ?
C100 C14 H14 120.4 . . ?
O28 C17 C101 114.9(13) . . ?
O28 C17 C104 128.6(13) . . ?
C104 C17 C101 116.5(13) . . ?
O26 C18 C108 129.6(15) . . ?
O26 C18 C120 112.3(14) . . ?
C108 C18 C120 118.1(15) . . ?
C37 N12 Dy1 164.4(12) . . ?
N1 C19 C10 128.1(11) . . ?
N1 C19 N2 106.2(10) . . ?
N2 C19 C10 125.7(10) . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C67 C20 H20A 109.5 . . ?
C67 C20 H20B 109.5 . . ?
C67 C20 H20C 109.5 . . ?
C47 C21 H21 120.7 . . ?
C47 C21 C82 118.5(13) . . ?
C82 C21 H21 120.7 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C1A C25 H25A 109.5 . . ?
C1A C25 H25B 109.5 . . ?
C1A C25 H25C 109.5 . . ?
C54 C26 H26 120.0 . . ?
C54 C26 C44 120.0 . . ?
C44 C26 H26 120.0 . . ?
C26 C54 H54 120.0 . . ?
C26 C54 C5 120.0 . . ?
C5 C54 H54 120.0 . . ?
C54 C5 C58 123.6(7) . . ?
C4 C5 C54 120.0 . . ?
C4 C5 C58 116.4(7) . . ?
C5 C4 H4 120.0 . . ?
C5 C4 C7 120.0 . . ?
C7 C4 H4 120.0 . . ?
C4 C7 H7 120.0 . . ?
C44 C7 C4 120.0 . . ?
C44 C7 H7 120.0 . . ?
C26 C44 C35 119.1(7) . . ?
C7 C44 C26 120.0 . . ?
C7 C44 C35 120.9(7) . . ?
N10 C27 C8 175.8(16) . . ?
N2 C28 C62 96.9(9) . . ?
N2 C28 C66 104.5(11) . . ?
C50 C28 N2 113.7(11) . . ?
C50 C28 C62 115.8(11) . . ?
C50 C28 C66 112.3(12) . . ?
C66 C28 C62 112.0(12) . . ?
C55 C29 H29 119.7 . . ?
C55 C29 C76 120.6(13) . . ?
C76 C29 H29 119.7 . . ?
O5 C30 C56 115.8(13) . . ?
O5 C30 C80 127.8(15) . . ?
C80 C30 C56 116.4(14) . . ?
N4 C31 C12 125.1(10) . . ?
N5 C31 N4 107.9(11) . . ?
N5 C31 C12 127.0(10) . . ?
N3 C32 C16 126.7(11) . . ?
N3 C32 N11 110.7(11) . . ?
N11 C32 C16 122.6(11) . . ?
O16 C33 C48 128.8(13) . . ?
O16 C33 C115 114.9(12) . . ?
C48 C33 C115 116.3(13) . . ?
F14 C34 F21 107.1(13) . . ?
F14 C34 F30 110.9(14) . . ?
F14 C34 C45 112.1(14) . . ?
F21 C34 C45 108.0(13) . . ?
F30 C34 F21 105.0(14) . . ?
F30 C34 C45 113.2(12) . . ?
N6 C35 C44 128.0(11) . . ?
N7 C35 N6 106.0(11) . . ?
N7 C35 C44 125.9(11) . . ?
O20 C36 C104 125.8(14) . . ?
O20 C36 C112 114.1(14) . . ?
C104 C36 C112 120.1(14) . . ?
N12 C37 C40 176.4(15) . . ?
C59 C38 H38 121.1 . . ?
C111 C38 H38 121.1 . . ?
C111 C38 C59 117.8(16) . . ?
O14 C39 C64 129.0(14) . . ?
O14 C39 C85 116.3(13) . . ?
C64 C39 C85 114.6(14) . . ?
O29 C41 C125 127.6(16) . . ?
O29 C41 C145 112.1(15) . . ?
C125 C41 C145 120.3(17) . . ?
O42 C42 C49 112.1(12) . . ?
O42 C42 C95 129.4(13) . . ?
C95 C42 C49 118.5(13) . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C141 C43 H43A 109.5 . . ?
C141 C43 H43B 109.5 . . ?
C141 C43 H43C 109.5 . . ?
O9 C45 C34 113.5(12) . . ?
O9 C45 C48 127.5(12) . . ?
C48 C45 C34 119.0(12) . . ?
O21 C46 C95 125.9(13) . . ?
O21 C46 C109 116.7(14) . . ?
C95 C46 C109 117.4(14) . . ?
O32 C47 C21 128.5(14) . . ?
O32 C47 C134 115.7(14) . . ?
C21 C47 C134 115.8(13) . . ?
C33 C48 H48 119.7 . . ?
C45 C48 C33 120.6(13) . . ?
C45 C48 H48 119.7 . . ?
F5 C49 C42 111.9(13) . . ?
F15 C49 F5 104.8(13) . . ?
F15 C49 F26 109.5(13) . . ?
F15 C49 C42 110.5(13) . . ?
F26 C49 F5 106.8(13) . . ?
F26 C49 C42 112.9(13) . . ?
C28 C50 H50A 109.5 . . ?
C28 C50 H50B 109.5 . . ?
C28 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O30 C51 C92 128.5(14) . . ?
O30 C51 C93 114.9(15) . . ?
C92 C51 C93 116.6(14) . . ?
O4 C52 C68 128.1(13) . . ?
O4 C52 C83 112.0(12) . . ?
C68 C52 C83 119.8(14) . . ?
O12 C53 C14 127.3(14) . . ?
O12 C53 C135 113.9(15) . . ?
C14 C53 C135 118.7(15) . . ?
O3 C55 C29 128.9(12) . . ?
O3 C55 C79 113.5(12) . . ?
C29 C55 C79 117.5(12) . . ?
F3 C56 F54 106.8(15) . . ?
F3 C56 C30 111.0(15) . . ?
F46 C56 F3 107.7(15) . . ?
F46 C56 F54 110.7(18) . . ?
F46 C56 C30 108.8(15) . . ?
F54 C56 C30 111.6(14) . . ?
N5 C57 C1A 100.5(10) . . ?
N5 C57 C78 108.6(12) . . ?
N5 C57 C138 107.3(12) . . ?
C78 C57 C1A 114.9(13) . . ?
C78 C57 C138 111.6(14) . . ?
C138 C57 C1A 113.0(12) . . ?
N8 C58 C5 177.2(15) . . ?
O35 C59 C38 130.4(16) . . ?
O35 C59 C113 112.4(15) . . ?
C38 C59 C113 117.0(16) . . ?
C22 C60 C2 120.0 . . ?
C22 C60 C73 123.8(8) . . ?
C2 C60 C73 116.1(8) . . ?
C60 C22 H22 120.0 . . ?
C13 C22 C60 120.0 . . ?
C13 C22 H22 120.0 . . ?
C22 C13 H13 120.0 . . ?
C22 C13 C12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 C31 120.3(6) . . ?
C13 C12 C9 120.0 . . ?
C9 C12 C31 119.6(6) . . ?
C12 C9 H9 120.0 . . ?
C2 C9 C12 120.0 . . ?
C2 C9 H9 120.0 . . ?
C60 C2 H2 120.0 . . ?
C9 C2 C60 120.0 . . ?
C9 C2 H2 120.0 . . ?
C75 C61 H61 118.6 . . ?
C102 C61 H61 118.6 . . ?
C102 C61 C75 122.8(18) . . ?
N1 C62 C28 99.1(9) . . ?
N1 C62 C123 106.9(11) . . ?
C96 C62 N1 110.1(11) . . ?
C96 C62 C28 116.4(12) . . ?
C96 C62 C123 110.9(13) . . ?
C123 C62 C28 112.5(12) . . ?
O22 C63 C86 129.9(14) . . ?
O22 C63 C106 112.4(14) . . ?
C86 C63 C106 117.7(14) . . ?
C39 C64 H64 120.1 . . ?
C65 C64 C39 119.8(14) . . ?
C65 C64 H64 120.1 . . ?
O19 C65 C64 128.4(13) . . ?
O19 C65 C72 114.9(14) . . ?
C64 C65 C72 116.7(15) . . ?
C28 C66 H66A 109.5 . . ?
C28 C66 H66B 109.5 . . ?
C28 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N11 C67 C97 106.6(11) . . ?
N11 C67 C117 98.1(10) . . ?
C20 C67 N11 112.2(11) . . ?
C20 C67 C97 111.1(13) . . ?
C20 C67 C117 115.8(12) . . ?
C97 C67 C117 112.1(12) . . ?
C52 C68 H68 119.2 . . ?
C52 C68 C74 121.5(14) . . ?
C74 C68 H68 119.2 . . ?
O8 C69 C114 127.9(14) . . ?
O8 C69 C127 114.4(13) . . ?
C114 C69 C127 117.7(14) . . ?
F2 C70 F16 104.7(13) . . ?
F2 C70 C94 110.8(12) . . ?
F16 C70 C94 113.9(14) . . ?
F72 C70 F2 106.9(15) . . ?
F72 C70 F16 108.6(13) . . ?
F72 C70 C94 111.5(14) . . ?
F4 C71 F12 106.3(14) . . ?
F4 C71 C98 113.4(13) . . ?
F11 C71 F4 110.0(13) . . ?
F11 C71 F12 106.8(14) . . ?
F11 C71 C98 111.6(13) . . ?
F12 C71 C98 108.5(13) . . ?
F6 C72 C65 109.5(13) . . ?
F27 C72 F6 104.8(13) . . ?
F27 C72 C65 114.4(14) . . ?
F52 C72 F6 106.3(15) . . ?
F52 C72 F27 108.7(15) . . ?
F52 C72 C65 112.4(14) . . ?
N9 C73 C60 178.9(16) . . ?
N4 C1A C57 98.9(10) . . ?
N4 C1A C99 104.5(11) . . ?
C25 C1A N4 111.7(11) . . ?
C25 C1A C57 116.5(12) . . ?
C25 C1A C99 110.7(12) . . ?
C99 C1A C57 113.2(12) . . ?
O13 C74 C68 127.7(13) . . ?
O13 C74 C89 114.2(12) . . ?
C68 C74 C89 118.0(14) . . ?
O39 C75 C61 127.6(18) . . ?
O39 C75 C131 114.4(16) . . ?
C61 C75 C131 118.0(18) . . ?
O18 C76 C29 128.7(14) . . ?
O18 C76 C122 112.0(13) . . ?
C29 C76 C122 119.1(13) . . ?
O43 C77 C91 114.6(14) . . ?
O43 C77 C110 125.2(13) . . ?
C110 C77 C91 120.2(14) . . ?
C57 C78 H78A 109.5 . . ?
C57 C78 H78B 109.5 . . ?
C57 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
F43 C79 C55 111.6(13) . . ?
F53 C79 F43 106.9(15) . . ?
F53 C79 F66 107.9(14) . . ?
F53 C79 C55 114.2(12) . . ?
F66 C79 F43 105.6(14) . . ?
F66 C79 C55 110.1(14) . . ?
C30 C80 H80 119.0 . . ?
C94 C80 C30 121.9(14) . . ?
C94 C80 H80 119.0 . . ?
O27 C82 C21 128.2(14) . . ?
O27 C82 C128 114.3(14) . . ?
C21 C82 C128 117.4(13) . . ?
F59 C83 F65 107.9(15) . . ?
F59 C83 C52 108.5(14) . . ?
F61 C83 F59 107.3(15) . . ?
F61 C83 F65 107.2(15) . . ?
F61 C83 C52 113.1(14) . . ?
F65 C83 C52 112.6(13) . . ?
O11 C84 C108 128.2(14) . . ?
O11 C84 C129 113.2(15) . . ?
C108 C84 C129 118.5(14) . . ?
F1 C85 C39 111.4(13) . . ?
F57 C85 F1 106.2(14) . . ?
F57 C85 F60 110.6(16) . . ?
F57 C85 C39 111.0(15) . . ?
F60 C85 F1 104.7(15) . . ?
F60 C85 C39 112.6(14) . . ?
C63 C86 H86 119.8 . . ?
C88 C86 C63 120.4(13) . . ?
C88 C86 H86 119.8 . . ?
O33 C87 C125 127.9(15) . . ?
O33 C87 C133 112.0(17) . . ?
C125 C87 C133 120.0(18) . . ?
O2 C88 C86 127.6(14) . . ?
O2 C88 C107 114.9(14) . . ?
C86 C88 C107 117.5(14) . . ?
F9 C89 F22 108.5(13) . . ?
F9 C89 F23 106.7(13) . . ?
F9 C89 C74 110.8(14) . . ?
F22 C89 F23 106.1(14) . . ?
F22 C89 C74 114.6(12) . . ?
F23 C89 C74 109.8(12) . . ?
N6 C90 C141 101.0(12) . . ?
N6 C90 C143 103.9(14) . . ?
C143 C90 C141 104.9(14) . . ?
C144 C90 N6 110.9(14) . . ?
C144 C90 C141 114.1(16) . . ?
C144 C90 C143 120.0(19) . . ?
F31 C91 F36 105.8(15) . . ?
F31 C91 C77 112.7(15) . . ?
F36 C91 C77 107.0(14) . . ?
F78 C91 F31 110.6(16) . . ?
F78 C91 F36 106.3(16) . . ?
F78 C91 C77 113.8(15) . . ?
C51 C92 H92 118.7 . . ?
C105 C92 C51 122.5(14) . . ?
C105 C92 H92 118.7 . . ?
F7 C93 F55 104.4(16) . . ?
F7 C93 C51 112.8(15) . . ?
F1A C93 F7 107.4(15) . . ?
F1A C93 F55 108.6(16) . . ?
F1A C93 C51 112.1(16) . . ?
F55 C93 C51 111.1(15) . . ?
O31 C94 C70 114.3(14) . . ?
O31 C94 C80 127.5(13) . . ?
C80 C94 C70 118.2(14) . . ?
C42 C95 C46 121.5(14) . . ?
C42 C95 H95 119.2 . . ?
C46 C95 H95 119.2 . . ?
C62 C96 H96A 109.5 . . ?
C62 C96 H96B 109.5 . . ?
C62 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C67 C97 H97A 109.5 . . ?
C67 C97 H97B 109.5 . . ?
C67 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
O15 C98 C71 112.8(13) . . ?
O15 C98 C114 129.4(13) . . ?
C114 C98 C71 117.9(13) . . ?
C1A C99 H99A 109.5 . . ?
C1A C99 H99B 109.5 . . ?
C1A C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
O41 C100 C14 130.6(14) . . ?
O41 C100 C126 112.1(13) . . ?
C14 C100 C126 117.3(13) . . ?
F25 C101 C17 112.2(13) . . ?
F33 C101 F25 106.5(13) . . ?
F33 C101 F39 108.2(15) . . ?
F33 C101 C17 112.4(16) . . ?
F39 C101 F25 105.0(15) . . ?
F39 C101 C17 112.1(13) . . ?
O40 C102 C61 125.7(16) . . ?
O40 C102 C139 112.8(19) . . ?
C61 C102 C139 121(2) . . ?
O37 C103 C110 128.2(14) . . ?
O37 C103 C119 113.5(14) . . ?
C110 C103 C119 118.3(14) . . ?
C17 C104 C36 122.4(13) . . ?
C17 C104 H104 118.8 . . ?
C36 C104 H104 118.8 . . ?
O38 C105 C92 126.3(14) . . ?
O38 C105 C118 114.3(14) . . ?
C92 C105 C118 119.4(15) . . ?
F13 C106 F17 106.9(13) . . ?
F13 C106 C63 113.4(14) . . ?
F17 C106 C63 110.0(12) . . ?
F35 C106 F13 106.7(13) . . ?
F35 C106 F17 108.3(15) . . ?
F35 C106 C63 111.3(14) . . ?
F37 C107 F79 106.4(16) . . ?
F37 C107 C88 111.5(15) . . ?
F38 C107 F37 106.3(13) . . ?
F38 C107 F79 106.1(16) . . ?
F38 C107 C88 115.8(16) . . ?
F79 C107 C88 110.2(13) . . ?
C18 C108 C84 121.3(15) . . ?
C18 C108 H108 119.4 . . ?
C84 C108 H108 119.4 . . ?
F56 C109 F71 101.8(16) . . ?
F56 C109 F82 110.5(17) . . ?
F56 C109 C46 113.5(17) . . ?
F71 C109 C46 111.8(16) . . ?
F82 C109 F71 101.4(18) . . ?
F82 C109 C46 116.2(15) . . ?
C77 C110 C103 122.7(14) . . ?
C77 C110 H110 118.7 . . ?
C103 C110 H110 118.7 . . ?
O36 C111 C38 129.1(16) . . ?
O36 C111 C136 114.3(17) . . ?
C38 C111 C136 116.6(18) . . ?
F8 C112 F24 102.5(14) . . ?
F8 C112 C36 109.2(13) . . ?
F24 C112 C36 113.1(15) . . ?
F64 C112 F8 108.2(16) . . ?
F64 C112 F24 109.0(14) . . ?
F64 C112 C36 114.2(15) . . ?
F20 C113 C59 110.4(13) . . ?
F40 C113 F20 104.7(14) . . ?
F40 C113 C59 112.6(15) . . ?
F41 C113 F20 108.4(15) . . ?
F41 C113 F40 105.3(14) . . ?
F41 C113 C59 114.9(14) . . ?
C69 C114 H114 119.9 . . ?
C98 C114 C69 120.2(14) . . ?
C98 C114 H114 119.9 . . ?
F50 C115 F80 105.9(16) . . ?
F50 C115 C33 114.9(14) . . ?
F73 C115 F50 107.7(17) . . ?
F73 C115 F80 106.1(15) . . ?
F73 C115 C33 111.8(15) . . ?
F80 C115 C33 109.9(16) . . ?
O24 C116 C124 113.2(14) . . ?
O24 C116 C130 128.7(15) . . ?
C130 C116 C124 118.1(14) . . ?
N3 C117 C67 97.6(10) . . ?
C132 C117 N3 112.2(12) . . ?
C132 C117 C67 115.8(13) . . ?
C132 C117 C137 113.7(15) . . ?
C137 C117 N3 105.4(12) . . ?
C137 C117 C67 110.6(13) . . ?
F19 C118 C105 112.2(14) . . ?
F32 C118 F19 103.9(15) . . ?
F32 C118 C105 114.6(15) . . ?
F70 C118 F19 104.2(15) . . ?
F70 C118 F32 107.5(15) . . ?
F70 C118 C105 113.4(16) . . ?
F48 C119 F69 106.5(14) . . ?
F48 C119 C103 112.7(15) . . ?
F63 C119 F48 104.3(16) . . ?
F63 C119 F69 106.0(16) . . ?
F63 C119 C103 111.1(14) . . ?
F69 C119 C103 115.5(15) . . ?
F47 C120 C18 114.2(16) . . ?
F47 C120 F95 99.9(18) . . ?
F95 C120 C18 109.8(16) . . ?
F104 C120 F47 113(2) . . ?
F104 C120 C18 112.7(18) . . ?
F104 C120 F95 106.6(18) . . ?
O25 C121 C130 128.9(15) . . ?
O25 C121 C142 113.7(16) . . ?
C130 C121 C142 117.3(16) . . ?
F10 C122 F28 106.5(13) . . ?
F10 C122 C76 109.8(14) . . ?
F18 C122 F10 109.3(14) . . ?
F18 C122 F28 106.4(14) . . ?
F18 C122 C76 112.1(13) . . ?
F28 C122 C76 112.4(13) . . ?
C62 C123 H12A 109.5 . . ?
C62 C123 H12B 109.5 . . ?
C62 C123 H12C 109.5 . . ?
H12A C123 H12B 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
F34 C124 F67 103.5(16) . . ?
F34 C124 F84 107.8(16) . . ?
F34 C124 C116 112.1(15) . . ?
F67 C124 C116 112.7(15) . . ?
F84 C124 F67 105.2(17) . . ?
F84 C124 C116 114.7(15) . . ?
C41 C125 H125 118.5 . . ?
C87 C125 C41 122.9(17) . . ?
C87 C125 H125 118.5 . . ?
F44 C126 C100 114.9(15) . . ?
F91 C126 F44 105.5(17) . . ?
F91 C126 C100 112.6(17) . . ?
F91 C126 F102 106.3(18) . . ?
F102 C126 F44 107.6(17) . . ?
F102 C126 C100 109.5(16) . . ?
F74 C127 F89 105.3(17) . . ?
F74 C127 C69 112.2(17) . . ?
F87 C127 F74 111.4(18) . . ?
F87 C127 F89 103.2(19) . . ?
F87 C127 C69 115.5(15) . . ?
F89 C127 C69 108.3(17) . . ?
F49 C128 F94 105.3(15) . . ?
F49 C128 C82 115.2(15) . . ?
F94 C128 C82 110.1(16) . . ?
F97 C128 F49 109.0(17) . . ?
F97 C128 F94 103.6(18) . . ?
F97 C128 C82 112.8(15) . . ?
F58 C129 F68 105.1(16) . . ?
F58 C129 C84 114.2(16) . . ?
F62 C129 F58 108.1(15) . . ?
F62 C129 F68 103.1(16) . . ?
F62 C129 C84 112.7(15) . . ?
F68 C129 C84 112.8(14) . . ?
C116 C130 C121 121.1(15) . . ?
C116 C130 H130 119.4 . . ?
C121 C130 H130 119.5 . . ?
F88 C131 C75 115(2) . . ?
F88 C131 F100 104.2(19) . . ?
F98 C131 F88 113(2) . . ?
F98 C131 C75 113.0(18) . . ?
F98 C131 F100 102(2) . . ?
F100 C131 C75 109(2) . . ?
C117 C132 H13A 109.5 . . ?
C117 C132 H13B 109.5 . . ?
C117 C132 H13C 109.5 . . ?
H13A C132 H13B 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
F77 C133 F92 100.0(19) . . ?
F77 C133 C87 115.6(17) . . ?
F77 C133 F105 115(2) . . ?
F92 C133 C87 112.0(18) . . ?
F105 C133 F92 99.6(18) . . ?
F105 C133 C87 112.9(19) . . ?
F29 C134 F85 108.7(16) . . ?
F29 C134 F90 107.2(17) . . ?
F29 C134 C47 115.0(16) . . ?
F85 C134 F90 107.5(18) . . ?
F85 C134 C47 109.8(16) . . ?
F90 C134 C47 108.3(15) . . ?
F75 C135 C53 112.1(15) . . ?
F81 C135 F75 107.3(17) . . ?
F81 C135 C53 114.1(17) . . ?
F81 C135 F99 104.9(18) . . ?
F99 C135 F75 106.9(19) . . ?
F99 C135 C53 111.0(17) . . ?
F93 C136 F101 104(2) . . ?
F93 C136 C111 115.8(19) . . ?
F101 C136 C111 111(2) . . ?
F107 C136 F93 111(2) . . ?
F107 C136 F101 103(2) . . ?
F107 C136 C111 112(2) . . ?
C117 C137 H13D 109.5 . . ?
C117 C137 H13E 109.5 . . ?
C117 C137 H13F 109.5 . . ?
H13D C137 H13E 109.5 . . ?
H13D C137 H13F 109.5 . . ?
H13E C137 H13F 109.5 . . ?
C57 C138 H13G 109.5 . . ?
C57 C138 H13H 109.5 . . ?
C57 C138 H13I 109.5 . . ?
H13G C138 H13H 109.5 . . ?
H13G C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
F83 C139 F96 103(2) . . ?
F83 C139 C102 115.5(18) . . ?
F96 C139 C102 113(2) . . ?
F106 C139 F83 107(2) . . ?
F106 C139 F96 102.6(19) . . ?
F106 C139 C102 114(2) . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C141 C140 H14A 109.5 . . ?
C141 C140 H14B 109.5 . . ?
C141 C140 H14C 109.5 . . ?
N7 C141 C90 97.7(12) . . ?
N7 C141 C140 106.6(15) . . ?
C43 C141 N7 116.1(14) . . ?
C43 C141 C90 123.2(16) . . ?
C43 C141 C140 103.7(15) . . ?
C90 C141 C140 108.6(15) . . ?
F51 C142 F76 98.3(19) . . ?
F51 C142 F103 102(2) . . ?
F51 C142 C121 112.8(18) . . ?
F76 C142 C121 112.9(19) . . ?
F103 C142 F76 109.6(19) . . ?
F103 C142 C121 118.7(19) . . ?
C90 C143 H14D 109.5 . . ?
C90 C143 H14E 109.5 . . ?
C90 C143 H14F 109.5 . . ?
H14D C143 H14E 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C90 C144 H14G 109.5 . . ?
C90 C144 H14H 109.5 . . ?
C90 C144 H14I 109.5 . . ?
H14G C144 H14H 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
F42 C145 F86 109.5(18) . . ?
F42 C145 C41 114.1(17) . . ?
F45 C145 F42 102.1(18) . . ?
F45 C145 F86 102.6(18) . . ?
F45 C145 C41 114.4(18) . . ?
F86 C145 C41 112.9(18) . . ?

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
Dy6 O3 C55 C29 -9(2) . . . . ?
Dy6 O3 C55 C79 170.7(10) . . . . ?
Dy6 O8 C69 C114 -6(3) . . . . ?
Dy6 O8 C69 C127 176.3(12) . . . . ?
Dy6 O15 C98 C71 -171.0(10) . . . . ?
Dy6 O15 C98 C114 10(3) . . . . ?
Dy6 O17 N4 C31 81.8(16) . . . . ?
Dy6 O17 N4 C1A -107.0(14) . . . . ?
Dy6 O18 C76 C29 12(3) . . . . ?
Dy6 O18 C76 C122 -172.8(10) . . . . ?
Dy6 O1A N7 C35 83.7(18) . . . . ?
Dy6 O1A N7 C141 -114.6(14) . . . . ?
Dy6 O37 C103 C110 0(2) . . . . ?
Dy6 O37 C103 C119 -179.9(10) . . . . ?
Dy6 O43 C77 C91 -165.9(11) . . . . ?
Dy6 O43 C77 C110 13(2) . . . . ?
Dy3 O2 C88 C86 -6(2) . . . . ?
Dy3 O2 C88 C107 173.1(10) . . . . ?
Dy3 O4 C52 C68 13(2) . . . . ?
Dy3 O4 C52 C83 -170.9(10) . . . . ?
Dy3 O7 N2 C19 -82.9(16) . . . . ?
Dy3 O7 N2 C28 108.2(12) . . . . ?
Dy3 O9 C45 C34 171.7(10) . . . . ?
Dy3 O9 C45 C48 -7(3) . . . . ?
Dy3 O13 C74 C68 -13(2) . . . . ?
Dy3 O13 C74 C89 169.7(9) . . . . ?
Dy3 O16 C33 C48 8(3) . . . . ?
Dy3 O16 C33 C115 -171.2(11) . . . . ?
Dy3 O22 C63 C86 -2(2) . . . . ?
Dy3 O22 C63 C106 176.6(9) . . . . ?
Dy3 O23 N11 C32 -80.9(16) . . . . ?
Dy3 O23 N11 C67 114.5(12) . . . . ?
Dy2 O6 N1 C19 -79.8(16) . . . . ?
Dy2 O6 N1 C62 109.7(11) . . . . ?
Dy2 O20 C36 C104 -18(2) . . . . ?
Dy2 O20 C36 C112 163.2(10) . . . . ?
Dy2 O21 C46 C95 19(3) . . . . ?
Dy2 O21 C46 C109 -162.7(13) . . . . ?
Dy2 O28 C17 C101 -164.6(11) . . . . ?
Dy2 O28 C17 C104 17(2) . . . . ?
Dy2 O35 C59 C38 2(3) . . . . ?
Dy2 O35 C59 C113 -174.2(9) . . . . ?
Dy2 O36 C111 C38 6(3) . . . . ?
Dy2 O36 C111 C136 -176.9(14) . . . . ?
Dy2 O42 C42 C49 163.1(10) . . . . ?
Dy2 O42 C42 C95 -17(2) . . . . ?
Dy5 O5 C30 C56 169.0(10) . . . . ?
Dy5 O5 C30 C80 -13(2) . . . . ?
Dy5 O10 N6 C35 80.9(16) 1_655 . . . ?
Dy5 O10 N6 C90 -103.0(15) 1_655 . . . ?
Dy5 O27 C82 C21 4(3) . . . . ?
Dy5 O27 C82 C128 179.8(11) . . . . ?
Dy5 O29 C41 C125 -17(2) . . . . ?
Dy5 O29 C41 C145 163.5(11) . . . . ?
Dy5 O31 C94 C70 -167.8(9) . . . . ?
Dy5 O31 C94 C80 14(2) . . . . ?
Dy5 O32 C47 C21 4(3) . . . . ?
Dy5 O32 C47 C134 -174.4(12) . . . . ?
Dy5 O33 C87 C125 19(3) . . . . ?
Dy5 O33 C87 C133 -159.3(12) . . . . ?
Dy4 O1 N3 C32 -76.7(16) . . . . ?
Dy4 O1 N3 C117 112.4(11) . . . . ?
Dy4 O11 C84 C108 14(2) . . . . ?
Dy4 O11 C84 C129 -166.4(10) . . . . ?
Dy4 O12 C53 C14 -4(3) . . . . ?
Dy4 O12 C53 C135 -179.9(12) . . . . ?
Dy4 O14 C39 C64 14(2) . . . . ?
Dy4 O14 C39 C85 -169.5(10) . . . . ?
Dy4 O19 C65 C64 -19(2) . . . . ?
Dy4 O19 C65 C72 163.4(9) . . . . ?
Dy4 O26 C18 C108 -20(2) . . . . ?
Dy4 O26 C18 C120 161.3(11) . . . . ?
Dy4 O41 C100 C14 0(3) . . . . ?
Dy4 O41 C100 C126 178.2(12) . . . . ?
Dy1 O24 C116 C124 -164.3(11) . . . . ?
Dy1 O24 C116 C130 16(3) . . . . ?
Dy1 O25 C121 C130 -19(3) . . . . ?
Dy1 O25 C121 C142 165.7(13) . . . . ?
Dy1 O30 C51 C92 -16(2) . . . . ?
Dy1 O30 C51 C93 166.7(11) . . . . ?
Dy1 O34 N5 C31 78.7(18) 1_554 . . . ?
Dy1 O34 N5 C57 -113.3(13) 1_554 . . . ?
Dy1 O38 C105 C92 16(2) . . . . ?
Dy1 O38 C105 C118 -165.2(10) . . . . ?
Dy1 O39 C75 C61 -9(3) . . . . ?
Dy1 O39 C75 C131 170.0(13) . . . . ?
Dy1 O40 C102 C61 -1(3) . . . . ?
Dy1 O40 C102 C139 175.7(13) . . . . ?
O1 N3 C32 C16 1(2) . . . . ?
O1 N3 C32 N11 -179.2(11) . . . . ?
O1 N3 C117 C67 -164.9(10) . . . . ?
O1 N3 C117 C132 -43.1(17) . . . . ?
O1 N3 C117 C137 81.2(14) . . . . ?
O2 C88 C107 F37 49(2) . . . . ?
O2 C88 C107 F38 171.1(15) . . . . ?
O2 C88 C107 F79 -69(2) . . . . ?
F2 C70 C94 O31 -72.3(19) . . . . ?
F2 C70 C94 C80 106.2(17) . . . . ?
O3 C55 C79 F43 39.5(19) . . . . ?
O3 C55 C79 F53 161.0(15) . . . . ?
O3 C55 C79 F66 -77.5(18) . . . . ?
F4 C71 C98 O15 170.9(14) . . . . ?
F4 C71 C98 C114 -10(2) . . . . ?
O4 C52 C68 C74 -1(3) . . . . ?
O4 C52 C83 F59 82.3(17) . . . . ?
O4 C52 C83 F61 -37(2) . . . . ?
O4 C52 C83 F65 -158.3(15) . . . . ?
O5 C30 C56 F3 -21(2) . . . . ?
O5 C30 C56 F46 97.8(18) . . . . ?
O5 C30 C56 F54 -139.8(15) . . . . ?
O5 C30 C80 C94 -7(2) . . . . ?
O6 N1 C19 C10 0(2) . . . . ?
O6 N1 C19 N2 179.7(11) . . . . ?
O6 N1 C62 C28 -164.4(10) . . . . ?
O6 N1 C62 C96 -41.9(16) . . . . ?
O6 N1 C62 C123 78.6(14) . . . . ?
O7 N2 C19 C10 0(2) . . . . ?
O7 N2 C19 N1 -179.7(11) . . . . ?
O7 N2 C28 C50 -43.7(15) . . . . ?
O7 N2 C28 C62 -165.8(10) . . . . ?
O7 N2 C28 C66 79.2(13) . . . . ?
F11 C71 C98 O15 46(2) . . . . ?
F11 C71 C98 C114 -135.2(16) . . . . ?
O8 C69 C114 C98 -3(3) . . . . ?
O8 C69 C127 F74 37(2) . . . . ?
O8 C69 C127 F87 165.7(19) . . . . ?
O8 C69 C127 F89 -79(2) . . . . ?
O9 C45 C48 C33 -3(3) . . . . ?
F12 C71 C98 O15 -71.3(17) . . . . ?
F12 C71 C98 C114 107.5(16) . . . . ?
F14 C34 C45 O9 -43(2) . . . . ?
F14 C34 C45 C48 135.8(16) . . . . ?
F16 C70 C94 O31 170.0(13) . . . . ?
F16 C70 C94 C80 -12(2) . . . . ?
O10 N6 C35 N7 179.8(12) . . . . ?
O10 N6 C35 C44 -3(2) . . . . ?
O10 N6 C90 C141 166.4(12) . . . . ?
O10 N6 C90 C143 -85.0(17) . . . . ?
O10 N6 C90 C144 45(2) . . . . ?
O11 C84 C108 C18 4(3) . . . . ?
O11 C84 C129 F58 -164.1(16) . . . . ?
O11 C84 C129 F62 72(2) . . . . ?
O11 C84 C129 F68 -44(2) . . . . ?
O12 C53 C135 F75 60(2) . . . . ?
O12 C53 C135 F81 -177.2(17) . . . . ?
O12 C53 C135 F99 -59(2) . . . . ?
O13 C74 C89 F9 -49.1(18) . . . . ?
O13 C74 C89 F22 -172.3(13) . . . . ?
O13 C74 C89 F23 68.5(17) . . . . ?
O14 C39 C64 C65 5(2) . . . . ?
O14 C39 C85 F1 18(2) . . . . ?
O14 C39 C85 F57 -99.8(17) . . . . ?
O14 C39 C85 F60 135.7(16) . . . . ?
O15 C98 C114 C69 1(3) . . . . ?
O16 C33 C48 C45 3(3) . . . . ?
O16 C33 C115 F50 -160.3(17) . . . . ?
O16 C33 C115 F73 -37(2) . . . . ?
O16 C33 C115 F80 80.4(19) . . . . ?
O17 N4 C31 N5 179.9(11) . . . . ?
O17 N4 C31 C12 2(2) . . . . ?
O17 N4 C1A C25 41.5(16) . . . . ?
O17 N4 C1A C57 164.8(11) . . . . ?
O17 N4 C1A C99 -78.3(14) . . . . ?
O18 C76 C122 F10 -71.3(17) . . . . ?
O18 C76 C122 F18 50.4(19) . . . . ?
O18 C76 C122 F28 170.3(14) . . . . ?
O19 C65 C72 F6 72.5(18) . . . . ?
O19 C65 C72 F27 -170.2(13) . . . . ?
O19 C65 C72 F52 -45(2) . . . . ?
O20 C36 C104 C17 -6(2) . . . . ?
O20 C36 C112 F8 74.7(18) . . . . ?
O20 C36 C112 F24 -172.0(14) . . . . ?
O20 C36 C112 F64 -47(2) . . . . ?
F21 C34 C45 O9 74.5(17) . . . . ?
F21 C34 C45 C48 -106.4(16) . . . . ?
C1 C40 C81 C15 0.0 . . . . ?
C40 C1 C11 C10 0.0 . . . . ?
C40 C81 C15 C10 0.0 . . . . ?
C81 C15 C10 C11 0.0 . . . . ?
C81 C15 C10 C19 174.4(9) . . . . ?
C15 C10 C11 C1 0.0 . . . . ?
C15 C10 C19 N1 -23.8(17) . . . . ?
C15 C10 C19 N2 156.1(10) . . . . ?
C11 C1 C40 C81 0.0 . . . . ?
C11 C1 C40 C37 177.4(11) . . . . ?
C11 C10 C19 N1 150.7(11) . . . . ?
C11 C10 C19 N2 -29.5(16) . . . . ?
O21 C46 C95 C42 5(3) . . . . ?
O21 C46 C109 F56 67(2) . . . . ?
O21 C46 C109 F71 -48(2) . . . . ?
O21 C46 C109 F82 -163.2(19) . . . . ?
O22 C63 C86 C88 3(3) . . . . ?
O22 C63 C106 F13 178.0(12) . . . . ?
O22 C63 C106 F17 58.4(18) . . . . ?
O22 C63 C106 F35 -61.6(17) . . . . ?
O1A N7 C35 N6 175.9(12) . . . . ?
O1A N7 C35 C44 -2(2) . . . . ?
O1A N7 C141 C43 40(2) . . . . ?
O1A N7 C141 C90 173.1(12) . . . . ?
O1A N7 C141 C140 -74.8(17) . . . . ?
O23 N11 C32 N3 -177.3(12) . . . . ?
O23 N11 C32 C16 2(2) . . . . ?
O23 N11 C67 C20 -45.3(16) . . . . ?
O23 N11 C67 C97 76.4(14) . . . . ?
O23 N11 C67 C117 -167.5(10) . . . . ?
O24 C116 C124 F34 -68(2) . . . . ?
O24 C116 C124 F67 49(2) . . . . ?
O24 C116 C124 F84 169.1(17) . . . . ?
O24 C116 C130 C121 3(3) . . . . ?
O25 C121 C130 C116 -2(3) . . . . ?
O25 C121 C142 F51 45(3) . . . . ?
O25 C121 C142 F76 -65(3) . . . . ?
O25 C121 C142 F103 164(2) . . . . ?
O26 C18 C108 C84 0(3) . . . . ?
O26 C18 C120 F47 49(2) . . . . ?
O26 C18 C120 F95 160.5(16) . . . . ?
O26 C18 C120 F104 -81(2) . . . . ?
O27 C82 C128 F49 166.9(16) . . . . ?
O27 C82 C128 F94 -74(2) . . . . ?
O27 C82 C128 F97 41(2) . . . . ?
O28 C17 C101 F25 20(2) . . . . ?
O28 C17 C101 F33 -99.7(17) . . . . ?
O28 C17 C101 F39 138.2(16) . . . . ?
O28 C17 C104 C36 7(3) . . . . ?
O29 C41 C125 C87 -3(3) . . . . ?
O29 C41 C145 F42 -71(2) . . . . ?
O29 C41 C145 F45 47(2) . . . . ?
O29 C41 C145 F86 163.4(16) . . . . ?
O30 C51 C92 C105 -6(3) . . . . ?
O30 C51 C93 F7 -22(2) . . . . ?
O30 C51 C93 F1A 98.9(19) . . . . ?
O30 C51 C93 F55 -139.3(16) . . . . ?
O32 C47 C134 F29 172.8(16) . . . . ?
O32 C47 C134 F85 -64(2) . . . . ?
O32 C47 C134 F90 53(2) . . . . ?
O33 C87 C125 C41 2(3) . . . . ?
O33 C87 C133 F77 52(3) . . . . ?
O33 C87 C133 F92 -61(2) . . . . ?
O33 C87 C133 F105 -172.8(18) . . . . ?
O34 N5 C31 N4 -179.0(12) . . . . ?
O34 N5 C31 C12 -1(2) . . . . ?
O34 N5 C57 C1A 164.8(12) . . . . ?
O34 N5 C57 C78 43.9(18) . . . . ?
O34 N5 C57 C138 -76.9(16) . . . . ?
O35 C59 C113 F20 67(2) . . . . ?
O35 C59 C113 F40 -49.9(18) . . . . ?
O35 C59 C113 F41 -170.4(15) . . . . ?
O36 C111 C136 F93 168(2) . . . . ?
O36 C111 C136 F101 50(3) . . . . ?
O36 C111 C136 F107 -64(3) . . . . ?
O37 C103 C110 C77 -8(3) . . . . ?
O37 C103 C119 F48 -49(2) . . . . ?
O37 C103 C119 F63 67.2(19) . . . . ?
O37 C103 C119 F69 -172.1(15) . . . . ?
O38 C105 C118 F19 -83.1(19) . . . . ?
O38 C105 C118 F32 158.7(15) . . . . ?
O38 C105 C118 F70 34.7(19) . . . . ?
N2 C28 C62 N1 -24.7(12) . . . . ?
N2 C28 C62 C96 -142.6(12) . . . . ?
N2 C28 C62 C123 87.9(13) . . . . ?
O39 C75 C131 F88 173.9(19) . . . . ?
O39 C75 C131 F98 43(3) . . . . ?
O39 C75 C131 F100 -70(2) . . . . ?
O40 C102 C139 F83 -61(3) . . . . ?
O40 C102 C139 F96 58(2) . . . . ?
O40 C102 C139 F106 174.2(19) . . . . ?
O41 C100 C126 F44 -178.1(17) . . . . ?
O41 C100 C126 F91 61(2) . . . . ?
O41 C100 C126 F102 -57(2) . . . . ?
F30 C34 C45 O9 -169.7(14) . . . . ?
F30 C34 C45 C48 9(2) . . . . ?
O42 C42 C49 F5 -43.3(19) . . . . ?
O42 C42 C49 F15 73.1(18) . . . . ?
O42 C42 C49 F26 -163.9(14) . . . . ?
O42 C42 C95 C46 -6(3) . . . . ?
O43 C77 C91 F31 158.1(15) . . . . ?
O43 C77 C91 F36 -85.9(17) . . . . ?
O43 C77 C91 F78 31(2) . . . . ?
O43 C77 C110 C103 2(3) . . . . ?
N4 C31 C12 C13 -155.4(10) . . . . ?
N4 C31 C12 C9 26.8(16) . . . . ?
N5 C31 C12 C13 27.5(17) . . . . ?
N5 C31 C12 C9 -150.4(11) . . . . ?
N5 C57 C1A N4 26.5(13) . . . . ?
N5 C57 C1A C25 146.3(12) . . . . ?
N5 C57 C1A C99 -83.6(14) . . . . ?
N6 C90 C141 N7 21.6(14) . . . . ?
N6 C90 C141 C43 149.9(16) . . . . ?
N6 C90 C141 C140 -88.9(15) . . . . ?
F72 C70 C94 O31 46.7(19) . . . . ?
F72 C70 C94 C80 -134.9(16) . . . . ?
C6 C23 C8 C3 0.0 . . . . ?
C6 C23 C8 C27 -178.8(10) . . . . ?
C6 C16 C32 N3 -27.2(15) . . . . ?
C6 C16 C32 N11 153.3(10) . . . . ?
C23 C6 C16 C24 0.0 . . . . ?
C23 C6 C16 C32 176.2(9) . . . . ?
C23 C8 C3 C24 0.0 . . . . ?
C8 C3 C24 C16 0.0 . . . . ?
C3 C24 C16 C6 0.0 . . . . ?
C3 C24 C16 C32 -176.2(9) . . . . ?
C24 C16 C32 N3 149.0(11) . . . . ?
C24 C16 C32 N11 -30.5(14) . . . . ?
C16 C6 C23 C8 0.0 . . . . ?
N11 C67 C117 N3 -25.1(11) . . . . ?
N11 C67 C117 C132 -144.2(13) . . . . ?
N11 C67 C117 C137 84.6(13) . . . . ?
C14 C53 C135 F75 -116(2) . . . . ?
C14 C53 C135 F81 6(3) . . . . ?
C14 C53 C135 F99 125(2) . . . . ?
C14 C100 C126 F44 1(3) . . . . ?
C14 C100 C126 F91 -120.2(18) . . . . ?
C14 C100 C126 F102 121.7(19) . . . . ?
C19 C10 C11 C1 -174.5(9) . . . . ?
C19 N1 C62 C28 23.9(14) . . . . ?
C19 N1 C62 C96 146.4(13) . . . . ?
C19 N1 C62 C123 -93.1(14) . . . . ?
C19 N2 C28 C50 146.2(12) . . . . ?
C19 N2 C28 C62 24.1(14) . . . . ?
C19 N2 C28 C66 -90.9(13) . . . . ?
C20 C67 C117 N3 -144.5(11) . . . . ?
C20 C67 C117 C132 96.4(16) . . . . ?
C20 C67 C117 C137 -34.8(17) . . . . ?
C21 C47 C134 F29 -6(2) . . . . ?
C21 C47 C134 F85 117.0(17) . . . . ?
C21 C47 C134 F90 -125.9(17) . . . . ?
C21 C82 C128 F49 -17(2) . . . . ?
C21 C82 C128 F94 102.2(18) . . . . ?
C21 C82 C128 F97 -142.6(18) . . . . ?
C26 C54 C5 C4 0.0 . . . . ?
C26 C54 C5 C58 178.3(10) . . . . ?
C26 C44 C35 N6 30.3(17) . . . . ?
C26 C44 C35 N7 -152.7(12) . . . . ?
C54 C26 C44 C7 0.0 . . . . ?
C54 C26 C44 C35 -177.7(9) . . . . ?
C54 C5 C4 C7 0.0 . . . . ?
C5 C4 C7 C44 0.0 . . . . ?
C4 C7 C44 C26 0.0 . . . . ?
C4 C7 C44 C35 177.7(9) . . . . ?
C7 C44 C35 N6 -147.4(12) . . . . ?
C7 C44 C35 N7 29.6(17) . . . . ?
C44 C26 C54 C5 0.0 . . . . ?
C27 C8 C3 C24 178.8(10) . . . . ?
C28 N2 C19 C10 169.6(11) . . . . ?
C28 N2 C19 N1 -10.5(15) . . . . ?
C29 C55 C79 F43 -140.9(15) . . . . ?
C29 C55 C79 F53 -19(2) . . . . ?
C29 C55 C79 F66 102.1(17) . . . . ?
C29 C76 C122 F10 104.3(16) . . . . ?
C29 C76 C122 F18 -134.0(15) . . . . ?
C29 C76 C122 F28 -14(2) . . . . ?
C30 C80 C94 O31 7(2) . . . . ?
C30 C80 C94 C70 -171.7(13) . . . . ?
C31 N4 C1A C25 -146.1(12) . . . . ?
C31 N4 C1A C57 -22.8(14) . . . . ?
C31 N4 C1A C99 94.1(13) . . . . ?
C31 N5 C57 C1A -25.6(15) . . . . ?
C31 N5 C57 C78 -146.6(13) . . . . ?
C31 N5 C57 C138 92.7(15) . . . . ?
C31 C12 C9 C2 177.8(9) . . . . ?
C32 N3 C117 C67 22.8(13) . . . . ?
C32 N3 C117 C132 144.7(14) . . . . ?
C32 N3 C117 C137 -91.1(15) . . . . ?
C32 N11 C67 C20 147.2(13) . . . . ?
C32 N11 C67 C97 -91.0(14) . . . . ?
C32 N11 C67 C117 25.0(13) . . . . ?
C34 C45 C48 C33 177.5(15) . . . . ?
C35 N6 C90 C141 -17.1(16) . . . . ?
C35 N6 C90 C143 91.5(16) . . . . ?
C35 N6 C90 C144 -138.4(17) . . . . ?
C35 N7 C141 C43 -156.4(15) . . . . ?
C35 N7 C141 C90 -23.3(17) . . . . ?
C35 N7 C141 C140 88.7(17) . . . . ?
C37 C40 C81 C15 -177.3(11) . . . . ?
C38 C59 C113 F20 -109.7(17) . . . . ?
C38 C59 C113 F40 133.7(16) . . . . ?
C38 C59 C113 F41 13(2) . . . . ?
C38 C111 C136 F93 -14(3) . . . . ?
C38 C111 C136 F101 -133(2) . . . . ?
C38 C111 C136 F107 113(2) . . . . ?
C39 C64 C65 O19 -3(2) . . . . ?
C39 C64 C65 C72 174.5(13) . . . . ?
C47 C21 C82 O27 -3(3) . . . . ?
C47 C21 C82 C128 -178.5(15) . . . . ?
C48 C33 C115 F50 20(3) . . . . ?
C48 C33 C115 F73 143.2(17) . . . . ?
C48 C33 C115 F80 -99.3(18) . . . . ?
C49 C42 C95 C46 174.5(15) . . . . ?
C50 C28 C62 N1 -145.3(12) . . . . ?
C50 C28 C62 C96 96.8(16) . . . . ?
C50 C28 C62 C123 -32.7(17) . . . . ?
C51 C92 C105 O38 6(2) . . . . ?
C51 C92 C105 C118 -172.6(14) . . . . ?
C52 C68 C74 O13 1(2) . . . . ?
C52 C68 C74 C89 177.6(14) . . . . ?
C53 C14 C100 O41 1(3) . . . . ?
C53 C14 C100 C126 -177.6(17) . . . . ?
C55 C29 C76 O18 0(3) . . . . ?
C55 C29 C76 C122 -174.5(14) . . . . ?
C56 C30 C80 C94 171.1(14) . . . . ?
C57 N5 C31 N4 12.1(16) . . . . ?
C57 N5 C31 C12 -170.4(12) . . . . ?
C58 C5 C4 C7 -178.4(9) . . . . ?
C59 C38 C111 O36 -4(3) . . . . ?
C59 C38 C111 C136 179.3(18) . . . . ?
C60 C22 C13 C12 0.0 . . . . ?
C22 C60 C2 C9 0.0 . . . . ?
C22 C13 C12 C31 -177.8(9) . . . . ?
C22 C13 C12 C9 0.0 . . . . ?
C13 C12 C9 C2 0.0 . . . . ?
C12 C9 C2 C60 0.0 . . . . ?
C2 C60 C22 C13 0.0 . . . . ?
C61 C75 C131 F88 -7(3) . . . . ?
C61 C75 C131 F98 -138(2) . . . . ?
C61 C75 C131 F100 109(2) . . . . ?
C61 C102 C139 F83 116(2) . . . . ?
C61 C102 C139 F96 -125(2) . . . . ?
C61 C102 C139 F106 -8(3) . . . . ?
C62 N1 C19 C10 170.2(12) . . . . ?
C62 N1 C19 N2 -9.7(15) . . . . ?
C63 C86 C88 O2 1(3) . . . . ?
C63 C86 C88 C107 -178.2(14) . . . . ?
C64 C39 C85 F1 -164.6(14) . . . . ?
C64 C39 C85 F57 77.3(19) . . . . ?
C64 C39 C85 F60 -47(2) . . . . ?
C64 C65 C72 F6 -105.3(16) . . . . ?
C64 C65 C72 F27 12(2) . . . . ?
C64 C65 C72 F52 136.7(16) . . . . ?
C66 C28 C62 N1 84.0(13) . . . . ?
C66 C28 C62 C96 -33.9(16) . . . . ?
C66 C28 C62 C123 -163.3(12) . . . . ?
C67 N11 C32 N3 -12.2(15) . . . . ?
C67 N11 C32 C16 167.4(10) . . . . ?
C68 C52 C83 F59 -101.5(17) . . . . ?
C68 C52 C83 F61 139.5(16) . . . . ?
C68 C52 C83 F65 18(2) . . . . ?
C68 C74 C89 F9 133.5(15) . . . . ?
C68 C74 C89 F22 10(2) . . . . ?
C68 C74 C89 F23 -108.8(15) . . . . ?
C71 C98 C114 C69 -178.0(15) . . . . ?
C73 C60 C22 C13 176.6(11) . . . . ?
C73 C60 C2 C9 -176.9(11) . . . . ?
C1A N4 C31 N5 8.1(15) . . . . ?
C1A N4 C31 C12 -169.5(11) . . . . ?
C75 C61 C102 O40 1(3) . . . . ?
C75 C61 C102 C139 -175.9(19) . . . . ?
C76 C29 C55 O3 -2(3) . . . . ?
C76 C29 C55 C79 178.6(14) . . . . ?
C78 C57 C1A N4 142.8(13) . . . . ?
C78 C57 C1A C25 -97.4(16) . . . . ?
C78 C57 C1A C99 32.7(17) . . . . ?
C80 C30 C56 F3 160.9(14) . . . . ?
C80 C30 C56 F46 -80.6(18) . . . . ?
C80 C30 C56 F54 42(2) . . . . ?
C82 C21 C47 O32 -1(3) . . . . ?
C82 C21 C47 C134 177.3(15) . . . . ?
C83 C52 C68 C74 -176.3(15) . . . . ?
C85 C39 C64 C65 -171.2(14) . . . . ?
C86 C63 C106 F13 -3(2) . . . . ?
C86 C63 C106 F17 -122.5(15) . . . . ?
C86 C63 C106 F35 117.5(16) . . . . ?
C86 C88 C107 F37 -131.4(16) . . . . ?
C86 C88 C107 F38 -10(2) . . . . ?
C86 C88 C107 F79 110.7(18) . . . . ?
C90 N6 C35 N7 3.4(16) . . . . ?
C90 N6 C35 C44 -179.1(12) . . . . ?
C91 C77 C110 C103 -179.8(16) . . . . ?
C92 C51 C93 F7 159.6(14) . . . . ?
C92 C51 C93 F1A -79.0(19) . . . . ?
C92 C51 C93 F55 43(2) . . . . ?
C92 C105 C118 F19 95.4(17) . . . . ?
C92 C105 C118 F32 -23(2) . . . . ?
C92 C105 C118 F70 -146.8(15) . . . . ?
C93 C51 C92 C105 171.5(15) . . . . ?
C95 C42 C49 F5 136.7(15) . . . . ?
C95 C42 C49 F15 -106.9(17) . . . . ?
C95 C42 C49 F26 16(2) . . . . ?
C95 C46 C109 F56 -114.2(19) . . . . ?
C95 C46 C109 F71 131.3(17) . . . . ?
C95 C46 C109 F82 16(3) . . . . ?
C97 C67 C117 N3 86.6(12) . . . . ?
C97 C67 C117 C132 -32.5(18) . . . . ?
C97 C67 C117 C137 -163.8(13) . . . . ?
C100 C14 C53 O12 1(3) . . . . ?
C100 C14 C53 C135 177.0(16) . . . . ?
C101 C17 C104 C36 -171.9(15) . . . . ?
C102 C61 C75 O39 4(3) . . . . ?
C102 C61 C75 C131 -174.8(19) . . . . ?
C104 C17 C101 F25 -161.0(14) . . . . ?
C104 C17 C101 F33 79.0(18) . . . . ?
C104 C17 C101 F39 -43(2) . . . . ?
C104 C36 C112 F8 -104.3(17) . . . . ?
C104 C36 C112 F24 9(2) . . . . ?
C104 C36 C112 F64 134.5(17) . . . . ?
C106 C63 C86 C88 -175.6(14) . . . . ?
C108 C18 C120 F47 -129.8(19) . . . . ?
C108 C18 C120 F95 -19(2) . . . . ?
C108 C18 C120 F104 100(2) . . . . ?
C108 C84 C129 F58 16(2) . . . . ?
C108 C84 C129 F62 -108.3(19) . . . . ?
C108 C84 C129 F68 135.5(17) . . . . ?
C109 C46 C95 C42 -173.5(17) . . . . ?
C110 C77 C91 F31 -21(2) . . . . ?
C110 C77 C91 F36 95.3(18) . . . . ?
C110 C77 C91 F78 -147.6(17) . . . . ?
C110 C103 C119 F48 130.3(17) . . . . ?
C110 C103 C119 F63 -113.1(18) . . . . ?
C110 C103 C119 F69 8(2) . . . . ?
C111 C38 C59 O35 0(3) . . . . ?
C111 C38 C59 C113 175.5(15) . . . . ?
C112 C36 C104 C17 172.7(15) . . . . ?
C114 C69 C127 F74 -141.6(18) . . . . ?
C114 C69 C127 F87 -12(3) . . . . ?
C114 C69 C127 F89 102.6(19) . . . . ?
C115 C33 C48 C45 -177.2(16) . . . . ?
C117 N3 C32 C16 172.4(11) . . . . ?
C117 N3 C32 N11 -8.1(15) . . . . ?
C119 C103 C110 C77 172.4(16) . . . . ?
C120 C18 C108 C84 178.7(16) . . . . ?
C124 C116 C130 C121 -176.4(16) . . . . ?
C125 C41 C145 F42 110(2) . . . . ?
C125 C41 C145 F45 -133.1(19) . . . . ?
C125 C41 C145 F86 -16(3) . . . . ?
C125 C87 C133 F77 -126(2) . . . . ?
C125 C87 C133 F92 120(2) . . . . ?
C125 C87 C133 F105 9(3) . . . . ?
C127 C69 C114 C98 174.8(16) . . . . ?
C129 C84 C108 C18 -176.1(16) . . . . ?
C130 C116 C124 F34 112.2(19) . . . . ?
C130 C116 C124 F67 -131.5(18) . . . . ?
C130 C116 C124 F84 -11(3) . . . . ?
C130 C121 C142 F51 -131(2) . . . . ?
C130 C121 C142 F76 119(2) . . . . ?
C130 C121 C142 F103 -11(3) . . . . ?
C133 C87 C125 C41 -179.9(17) . . . . ?
C138 C57 C1A N4 -87.5(14) . . . . ?
C138 C57 C1A C25 32.3(18) . . . . ?
C138 C57 C1A C99 162.4(13) . . . . ?
C141 N7 C35 N6 14.1(17) . . . . ?
C141 N7 C35 C44 -163.5(13) . . . . ?
C142 C121 C130 C116 173.2(18) . . . . ?
C143 C90 C141 N7 -86.2(15) . . . . ?
C143 C90 C141 C43 42(2) . . . . ?
C143 C90 C141 C140 163.3(16) . . . . ?
C144 C90 C141 N7 140.5(16) . . . . ?
C144 C90 C141 C43 -91(2) . . . . ?
C144 C90 C141 C140 30(2) . . . . ?
C145 C41 C125 C87 176.6(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.889
_oxdiff_exptl_absorpt_empirical_full_min 0.151
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.8925(15)
2 0.1075(15)

