# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_aral302_rered_xprep
_database_code_depnum_ccdc_archive 'CCDC 1484570'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_audit_creation_date             2015-07-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        2-Y
_chemical_formula_moiety         'C63 H75 Sb4 Y3, C7 H8'
_chemical_formula_sum            'C70 H83 Sb4 Y3'
_chemical_formula_weight         1678.09
_chemical_absolute_configuration ?
_chemical_melting_point          N/A
_chemical_oxdiff_formula         Y3Sb3C70H86
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   14.8643(4)
_cell_length_b                   19.3840(3)
_cell_length_c                   24.2728(7)
_cell_angle_alpha                90
_cell_angle_beta                 107.004(3)
_cell_angle_gamma                90
_cell_volume                     6688.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6901
_cell_measurement_temperature    150.02(10)
_cell_measurement_theta_max      22.9400
_cell_measurement_theta_min      3.4440
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.201
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70242
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3296
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0854
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            25440
_diffrn_reflns_point_group_measured_fraction_full 0.907
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.369
_diffrn_ambient_temperature      150.02(10)
_diffrn_detector_area_resol_mean 16.1428
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   25.00   50.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663   57.0000  -30.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega   -3.00   78.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038   57.0000 -150.0000 81

#__ type_ start__ end____ width___ exp.time_
  3 omega   50.00   77.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038 -129.0000 -168.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega  -31.00   63.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -19.0000  120.0000 94

#__ type_ start__ end____ width___ exp.time_
  5 omega  -87.00   -4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000 -120.0000 83

#__ type_ start__ end____ width___ exp.time_
  6 omega  -88.00    9.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000  -30.0000 97

#__ type_ start__ end____ width___ exp.time_
  7 omega  -94.00  -68.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  178.0000  120.0000 26
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0356348000
_diffrn_orient_matrix_UB_12      -0.0244594000
_diffrn_orient_matrix_UB_13      -0.0134383000
_diffrn_orient_matrix_UB_21      0.0329417000
_diffrn_orient_matrix_UB_22      -0.0271729000
_diffrn_orient_matrix_UB_23      0.0105531000
_diffrn_orient_matrix_UB_31      -0.0133422000
_diffrn_orient_matrix_UB_32      -0.0016609000
_diffrn_orient_matrix_UB_33      0.0253270000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.811
_reflns_Friedel_fraction_full    0.815
_reflns_Friedel_fraction_max     0.811
_reflns_number_gt                8834
_reflns_number_total             11082
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details 
;
 Flack x determined using 3244 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.021(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         11082
_refine_ls_number_restraints     394
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0283P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0868
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C70A-C64A
 2.5 with sigma of 0.02
 C70A-C68A
 2.5 with sigma of 0.02
 C68-C70
 2.5 with sigma of 0.02
 C64-C70
 2.5 with sigma of 0.02
 C70-C64
 2.45 with sigma of 0.02
 C68-C70
 2.45 with sigma of 0.02
 H70B-C64
 2.49 with sigma of 0.02
3. Restrained planarity
 C64, C65, C66, C67, C68, C69, C70
 with sigma of 0.1
4. Rigid bond restraints
 C64A, C65A, C66A, C67A, C68A, C69A, C70A
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C25, C26, C27, C28, C29, C30
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C16, C17, C13, C14, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C31, C35, C34, C33, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C62, C58, C59, C60, C63, C55, C56, C57, C61
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C64A \\sim C65A \\sim C66A \\sim C67A \\sim C68A \\sim C69A \\sim C70A: within
1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C16 \\sim C17 \\sim C13 \\sim C14 \\sim C15: within 1.7A with sigma of 0.04 and
sigma for terminal atoms of 0.08
C34 \\sim C35 \\sim C31 \\sim C32 \\sim C33: within 1.7A with sigma of 0.04 and
sigma for terminal atoms of 0.08
C63 \\sim C60 \\sim C59 \\sim C58 \\sim C57 \\sim C56 \\sim C55 \\sim C61 \\sim
C62: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C65A) \\sim Ueq, Uanis(C66A) \\sim Ueq, Uanis(C64A) \\sim Ueq,
Uanis(C69A) \\sim Ueq, Uanis(C70A) \\sim Ueq, Uanis(C67A) \\sim Ueq,
Uanis(C68A) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C68) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C65)
\\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C70) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C24) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
6. Others
 Sof(C69A)=Sof(C68A)=Sof(H68A)=Sof(C67A)=Sof(H67A)=Sof(C66A)=Sof(H66A)=
 Sof(C65A)=Sof(H65A)=Sof(C64A)=Sof(H64A)=Sof(C70A)=Sof(H70D)=Sof(H70E)=
 Sof(H70F)=1-FVAR(1)
 Sof(C68)=Sof(H68)=Sof(C69)=Sof(C64)=Sof(H64)=Sof(C65)=Sof(H65)=Sof(C66)=
 Sof(H66)=Sof(C67)=Sof(H67)=Sof(C70)=Sof(H70A)=Sof(H70B)=Sof(H70C)=FVAR(1)
7.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34),
 C39(H39), C41(H41), C48(H48), C50(H50), C57(H57), C59(H59), C68(H68), C64(H64),
  C65(H65), C66(H66), C67(H67), C68A(H68A), C67A(H67A), C66A(H66A), C65A(H65A),
 C64A(H64A)
7.b Fitted hexagon refined as free rotating group:
 C68(C69,C64,C65,C66,C67), C69A(C68A,C67A,C66A,C65A,C64A)
7.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C24(H24A,H24B,
 H24C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C54(H54A,H54B,H54C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,
 H63C), C70(H70A,H70B,H70C), C70A(H70D,H70E,H70F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_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
Sb1 Sb 0.44266(6) 0.58041(4) 0.49488(3) 0.0350(2) Uani 1 1 d . . . . .
Sb2 Sb 0.42618(5) 0.35643(4) 0.50243(4) 0.0341(2) Uani 1 1 d . . . . .
Sb3 Sb 0.54883(6) 0.44885(5) 0.38466(4) 0.0368(2) Uani 1 1 d . . . . .
Sb4 Sb 0.56064(6) 0.46177(5) 0.50359(4) 0.0384(2) Uani 1 1 d . . . . .
Y1 Y 0.31211(8) 0.47682(6) 0.53518(5) 0.0322(3) Uani 1 1 d . . . . .
Y2 Y 0.46035(8) 0.30281(6) 0.38815(6) 0.0362(3) Uani 1 1 d . . . . .
Y3 Y 0.48095(8) 0.60304(7) 0.37625(5) 0.0362(3) Uani 1 1 d . . . . .
C1 C 0.1793(8) 0.4192(7) 0.4498(5) 0.036(3) Uani 1 1 d . . . . .
H1 H 0.1925 0.3765 0.4365 0.044 Uiso 1 1 calc R . . . .
C2 C 0.1986(8) 0.4838(7) 0.4290(5) 0.037(3) Uani 1 1 d . . . . .
H2 H 0.2253 0.4909 0.3993 0.045 Uiso 1 1 calc R . . . .
C3 C 0.1702(9) 0.5356(7) 0.4611(6) 0.041(3) Uani 1 1 d . . . . .
H3 H 0.1764 0.5830 0.4574 0.049 Uiso 1 1 calc R . . . .
C4 C 0.1310(8) 0.5019(7) 0.4997(6) 0.043(3) Uani 1 1 d . . . . .
H4 H 0.1047 0.5239 0.5254 0.052 Uiso 1 1 calc R . . . .
C5 C 0.1370(8) 0.4299(7) 0.4938(5) 0.039(3) Uani 1 1 d . . . . .
C6 C 0.0992(10) 0.3738(8) 0.5252(6) 0.056(4) Uani 1 1 d . . . . .
H6A H 0.0837 0.3938 0.5575 0.084 Uiso 1 1 calc GR . . . .
H6B H 0.1462 0.3388 0.5386 0.084 Uiso 1 1 calc GR . . . .
H6C H 0.0438 0.3537 0.4994 0.084 Uiso 1 1 calc GR . . . .
C7 C 0.4070(13) 0.5282(10) 0.6355(6) 0.069(5) Uani 1 1 d . . . . .
H7 H 0.4490 0.5638 0.6355 0.083 Uiso 1 1 calc R . . . .
C8 C 0.4286(11) 0.4584(10) 0.6385(5) 0.058(5) Uani 1 1 d . . . . .
H8 H 0.4871 0.4390 0.6414 0.069 Uiso 1 1 calc R . . . .
C9 C 0.3460(13) 0.4228(8) 0.6364(6) 0.060(5) Uani 1 1 d . . . . .
H9 H 0.3394 0.3751 0.6370 0.072 Uiso 1 1 calc R . . . .
C10 C 0.2767(11) 0.4700(8) 0.6333(5) 0.049(4) Uani 1 1 d . . . . .
H10 H 0.2150 0.4597 0.6320 0.059 Uiso 1 1 calc R . . . .
C11 C 0.3135(11) 0.5366(7) 0.6324(5) 0.044(4) Uani 1 1 d . . . . .
C12 C 0.2598(13) 0.6034(8) 0.6302(6) 0.091(7) Uani 1 1 d . . . . .
H12A H 0.1957 0.5970 0.6074 0.137 Uiso 1 1 calc GR . . . .
H12B H 0.2883 0.6389 0.6134 0.137 Uiso 1 1 calc GR . . . .
H12C H 0.2613 0.6167 0.6686 0.137 Uiso 1 1 calc GR . . . .
C13 C 0.3402(8) 0.3545(7) 0.2947(6) 0.039(3) Uani 1 1 d . U . . .
H13 H 0.3578 0.3943 0.2791 0.047 Uiso 1 1 calc R . . . .
C14 C 0.2937(8) 0.3527(6) 0.3368(5) 0.037(3) Uani 1 1 d . U . . .
H14 H 0.2749 0.3908 0.3539 0.044 Uiso 1 1 calc R . . . .
C15 C 0.2805(9) 0.2849(7) 0.3486(6) 0.045(3) Uani 1 1 d . U . . .
H15 H 0.2513 0.2692 0.3753 0.054 Uiso 1 1 calc R . . . .
C16 C 0.3181(9) 0.2435(7) 0.3139(6) 0.049(4) Uani 1 1 d . U . . .
H16 H 0.3180 0.1955 0.3135 0.059 Uiso 1 1 calc R . . . .
C17 C 0.3565(9) 0.2869(7) 0.2794(6) 0.043(3) Uani 1 1 d . U . . .
C18 C 0.4024(10) 0.2650(8) 0.2343(6) 0.060(4) Uani 1 1 d . . . . .
H18A H 0.4289 0.2198 0.2434 0.091 Uiso 1 1 calc GR . . . .
H18B H 0.4514 0.2971 0.2338 0.091 Uiso 1 1 calc GR . . . .
H18C H 0.3563 0.2642 0.1972 0.091 Uiso 1 1 calc GR . . . .
C19 C 0.5809(10) 0.2254(8) 0.4627(6) 0.057(4) Uani 1 1 d . U . . .
H19 H 0.5863 0.2327 0.5014 0.069 Uiso 1 1 calc R . . . .
C20 C 0.6329(10) 0.2585(8) 0.4303(7) 0.060(4) Uani 1 1 d . U . . .
H20 H 0.6801 0.2909 0.4445 0.072 Uiso 1 1 calc R . . . .
C21 C 0.6027(11) 0.2353(9) 0.3741(7) 0.069(5) Uani 1 1 d . U . . .
H21 H 0.6244 0.2497 0.3437 0.083 Uiso 1 1 calc R . . . .
C22 C 0.5341(12) 0.1864(9) 0.3718(8) 0.074(5) Uani 1 1 d . U . . .
H22 H 0.5021 0.1615 0.3392 0.089 Uiso 1 1 calc R . . . .
C23 C 0.5200(11) 0.1799(8) 0.4258(8) 0.062(4) Uani 1 1 d . U . . .
C24 C 0.4504(14) 0.1341(9) 0.4424(10) 0.124(8) Uani 1 1 d . U . . .
H24A H 0.3900 0.1562 0.4324 0.186 Uiso 1 1 calc GR . . . .
H24B H 0.4714 0.1258 0.4832 0.186 Uiso 1 1 calc GR . . . .
H24C H 0.4454 0.0910 0.4222 0.186 Uiso 1 1 calc GR . . . .
C25 C 0.2970(9) 0.6144(7) 0.3452(6) 0.047(3) Uani 1 1 d . U . . .
H25 H 0.2691 0.6180 0.3747 0.056 Uiso 1 1 calc R . . . .
C26 C 0.3138(9) 0.5531(7) 0.3201(5) 0.044(3) Uani 1 1 d . U . . .
H26 H 0.2982 0.5089 0.3291 0.053 Uiso 1 1 calc R . . . .
C27 C 0.3597(9) 0.5712(8) 0.2780(5) 0.046(3) Uani 1 1 d . U . . .
H27 H 0.3809 0.5407 0.2549 0.055 Uiso 1 1 calc R . . . .
C28 C 0.3668(9) 0.6437(8) 0.2777(6) 0.053(4) Uani 1 1 d . U . . .
H28 H 0.3926 0.6698 0.2540 0.064 Uiso 1 1 calc R . . . .
C29 C 0.3283(10) 0.6691(8) 0.3193(6) 0.052(4) Uani 1 1 d . U . . .
C30 C 0.3180(14) 0.7429(9) 0.3266(8) 0.103(7) Uani 1 1 d . U . . .
H30A H 0.3527 0.7676 0.3052 0.155 Uiso 1 1 calc GR . . . .
H30B H 0.3419 0.7545 0.3666 0.155 Uiso 1 1 calc GR . . . .
H30C H 0.2527 0.7552 0.3127 0.155 Uiso 1 1 calc GR . . . .
C31 C 0.6633(10) 0.6208(8) 0.3960(7) 0.061(4) Uani 1 1 d . U . . .
H31 H 0.7017 0.5820 0.4035 0.073 Uiso 1 1 calc R . . . .
C32 C 0.6381(11) 0.6617(9) 0.4374(6) 0.070(5) Uani 1 1 d . U . . .
H32 H 0.6591 0.6541 0.4769 0.085 Uiso 1 1 calc R . . . .
C33 C 0.5775(11) 0.7151(9) 0.4109(7) 0.069(4) Uani 1 1 d . U . . .
H33 H 0.5481 0.7478 0.4277 0.083 Uiso 1 1 calc R . . . .
C34 C 0.5723(10) 0.7068(7) 0.3522(7) 0.057(4) Uani 1 1 d . U . . .
H34 H 0.5401 0.7370 0.3234 0.069 Uiso 1 1 calc R . . . .
C35 C 0.6201(11) 0.6490(8) 0.3420(6) 0.055(4) Uani 1 1 d . U . . .
C36 C 0.6289(11) 0.6232(9) 0.2854(7) 0.082(6) Uani 1 1 d . . . . .
H36A H 0.5712 0.6012 0.2643 0.123 Uiso 1 1 calc GR . . . .
H36B H 0.6796 0.5906 0.2923 0.123 Uiso 1 1 calc GR . . . .
H36C H 0.6414 0.6613 0.2635 0.123 Uiso 1 1 calc GR . . . .
C37 C 0.5127(8) 0.6549(6) 0.5624(5) 0.032(3) Uani 1 1 d . . . . .
C38 C 0.4588(8) 0.7148(6) 0.5615(5) 0.034(3) Uani 1 1 d . . . . .
C39 C 0.4939(9) 0.7657(6) 0.6034(6) 0.042(3) Uani 1 1 d . . . . .
H39 H 0.4585 0.8056 0.6023 0.050 Uiso 1 1 calc R . . . .
C40 C 0.5771(9) 0.7598(6) 0.6455(5) 0.037(3) Uani 1 1 d . . . . .
C41 C 0.6293(9) 0.7015(7) 0.6446(5) 0.040(3) Uani 1 1 d . . . . .
H41 H 0.6879 0.6970 0.6718 0.048 Uiso 1 1 calc R . . . .
C42 C 0.5971(9) 0.6482(6) 0.6039(6) 0.038(3) Uani 1 1 d . . . . .
C43 C 0.3656(8) 0.7274(7) 0.5174(6) 0.057(4) Uani 1 1 d . . . . .
H43A H 0.3251 0.6885 0.5162 0.085 Uiso 1 1 calc GR . . . .
H43B H 0.3750 0.7335 0.4802 0.085 Uiso 1 1 calc GR . . . .
H43C H 0.3373 0.7681 0.5275 0.085 Uiso 1 1 calc GR . . . .
C44 C 0.6127(10) 0.8143(7) 0.6896(6) 0.057(4) Uani 1 1 d . . . . .
H44A H 0.6595 0.8413 0.6793 0.085 Uiso 1 1 calc GR . . . .
H44B H 0.6400 0.7932 0.7265 0.085 Uiso 1 1 calc GR . . . .
H44C H 0.5616 0.8436 0.6914 0.085 Uiso 1 1 calc GR . . . .
C45 C 0.6612(9) 0.5862(7) 0.6088(6) 0.053(4) Uani 1 1 d . . . . .
H45A H 0.6698 0.5766 0.5719 0.079 Uiso 1 1 calc GR . . . .
H45B H 0.6333 0.5469 0.6215 0.079 Uiso 1 1 calc GR . . . .
H45C H 0.7211 0.5959 0.6361 0.079 Uiso 1 1 calc GR . . . .
C46 C 0.4859(9) 0.2904(6) 0.5778(5) 0.038(3) Uani 1 1 d . . . . .
C47 C 0.4186(9) 0.2473(7) 0.5913(5) 0.041(3) Uani 1 1 d . . . . .
C48 C 0.4479(10) 0.2058(7) 0.6404(6) 0.055(4) Uani 1 1 d . . . . .
H48 H 0.4036 0.1786 0.6506 0.066 Uiso 1 1 calc R . . . .
C49 C 0.5405(11) 0.2038(8) 0.6743(6) 0.055(4) Uani 1 1 d . . . . .
C50 C 0.6036(10) 0.2457(7) 0.6593(6) 0.047(4) Uani 1 1 d . . . . .
H50 H 0.6660 0.2449 0.6820 0.057 Uiso 1 1 calc R . . . .
C51 C 0.5790(10) 0.2892(7) 0.6121(6) 0.044(4) Uani 1 1 d . . . . .
C52 C 0.3167(9) 0.2444(7) 0.5549(6) 0.053(4) Uani 1 1 d . . . . .
H52A H 0.3137 0.2314 0.5163 0.080 Uiso 1 1 calc GR . . . .
H52B H 0.2884 0.2890 0.5546 0.080 Uiso 1 1 calc GR . . . .
H52C H 0.2836 0.2110 0.5708 0.080 Uiso 1 1 calc GR . . . .
C53 C 0.5710(11) 0.1573(8) 0.7263(7) 0.074(5) Uani 1 1 d . . . . .
H53A H 0.6115 0.1824 0.7580 0.110 Uiso 1 1 calc GR . . . .
H53B H 0.6043 0.1183 0.7176 0.110 Uiso 1 1 calc GR . . . .
H53C H 0.5166 0.1416 0.7364 0.110 Uiso 1 1 calc GR . . . .
C54 C 0.6582(10) 0.3313(8) 0.6017(7) 0.080(6) Uani 1 1 d . . . . .
H54A H 0.7175 0.3135 0.6250 0.120 Uiso 1 1 calc GR . . . .
H54B H 0.6520 0.3785 0.6118 0.120 Uiso 1 1 calc GR . . . .
H54C H 0.6556 0.3285 0.5618 0.120 Uiso 1 1 calc GR . . . .
C55 C 0.6915(8) 0.4363(6) 0.3773(5) 0.031(3) Uani 1 1 d . U . . .
C56 C 0.6905(9) 0.4242(7) 0.3189(5) 0.043(3) Uani 1 1 d . U . . .
C57 C 0.7758(10) 0.4168(9) 0.3073(6) 0.068(5) Uani 1 1 d . U . . .
H57 H 0.7758 0.4094 0.2694 0.081 Uiso 1 1 calc R . . . .
C58 C 0.8616(11) 0.4201(9) 0.3502(7) 0.066(4) Uani 1 1 d . U . . .
C59 C 0.8592(9) 0.4315(7) 0.4052(6) 0.050(4) Uani 1 1 d . U . . .
H59 H 0.9157 0.4326 0.4346 0.060 Uiso 1 1 calc R . . . .
C60 C 0.7763(9) 0.4414(7) 0.4193(6) 0.042(3) Uani 1 1 d . U . . .
C61 C 0.6015(9) 0.4178(8) 0.2692(5) 0.059(4) Uani 1 1 d . U . . .
H61A H 0.5648 0.4591 0.2665 0.089 Uiso 1 1 calc GR . . . .
H61B H 0.5656 0.3790 0.2757 0.089 Uiso 1 1 calc GR . . . .
H61C H 0.6175 0.4111 0.2341 0.089 Uiso 1 1 calc GR . . . .
C62 C 0.9546(12) 0.4094(13) 0.3393(8) 0.125(9) Uani 1 1 d . U . . .
H62A H 0.9843 0.3690 0.3595 0.187 Uiso 1 1 calc GR . . . .
H62B H 0.9940 0.4488 0.3527 0.187 Uiso 1 1 calc GR . . . .
H62C H 0.9452 0.4035 0.2987 0.187 Uiso 1 1 calc GR . . . .
C63 C 0.7834(11) 0.4549(10) 0.4815(6) 0.092(6) Uani 1 1 d . U . . .
H63A H 0.7558 0.4171 0.4964 0.139 Uiso 1 1 calc GR . . . .
H63B H 0.7506 0.4967 0.4844 0.139 Uiso 1 1 calc GR . . . .
H63C H 0.8484 0.4594 0.5033 0.139 Uiso 1 1 calc GR . . . .
C68 C 0.8624(13) 0.4698(13) 0.6654(9) 0.102(13) Uani 0.61(2) 1 d D U P A 1
H68 H 0.8195 0.4749 0.6290 0.122 Uiso 0.61(2) 1 calc R . P A 1
C69 C 0.9579(14) 0.4792(13) 0.6729(8) 0.104(13) Uani 0.61(2) 1 d G U P A 1
C64 C 1.0219(12) 0.4717(13) 0.7272(10) 0.078(11) Uani 0.61(2) 1 d DG U P A 1
H64 H 1.0858 0.4780 0.7322 0.094 Uiso 0.61(2) 1 calc R . P A 1
C65 C 0.9904(17) 0.4548(13) 0.7740(8) 0.127(15) Uani 0.61(2) 1 d G U P A 1
H65 H 1.0332 0.4497 0.8104 0.153 Uiso 0.61(2) 1 calc R . P A 1
C66 C 0.8948(19) 0.4453(13) 0.7666(10) 0.134(16) Uani 0.61(2) 1 d G U P A 1
H66 H 0.8737 0.4340 0.7979 0.161 Uiso 0.61(2) 1 calc R . P A 1
C67 C 0.8308(13) 0.4529(14) 0.7122(12) 0.103(13) Uani 0.61(2) 1 d G U P A 1
H67 H 0.7669 0.4466 0.7072 0.123 Uiso 0.61(2) 1 calc R . P A 1
C69A C 1.013(2) 0.470(2) 0.7219(13) 0.099(14) Uani 0.39(2) 1 d . U P A 2
C68A C 0.931(2) 0.4444(18) 0.7314(13) 0.095(12) Uani 0.39(2) 1 d DG U P A 2
H68A H 0.9326 0.4272 0.7675 0.114 Uiso 0.39(2) 1 calc R . P A 2
C67A C 0.847(2) 0.4449(19) 0.6871(17) 0.095(13) Uani 0.39(2) 1 d G U P A 2
H67A H 0.7924 0.4280 0.6934 0.113 Uiso 0.39(2) 1 calc R . P A 2
C66A C 0.845(2) 0.471(2) 0.6332(14) 0.102(13) Uani 0.39(2) 1 d G U P A 2
H66A H 0.7887 0.4709 0.6035 0.122 Uiso 0.39(2) 1 calc R . P A 2
C65A C 0.927(3) 0.496(2) 0.6237(12) 0.105(13) Uani 0.39(2) 1 d G U P A 2
H65A H 0.9251 0.5130 0.5877 0.126 Uiso 0.39(2) 1 calc R . P A 2
C64A C 1.011(2) 0.495(2) 0.6681(14) 0.107(13) Uani 0.39(2) 1 d DG U P A 2
H64A H 1.0653 0.5122 0.6617 0.128 Uiso 0.39(2) 1 calc R . P A 2
C70 C 0.991(2) 0.506(2) 0.6256(12) 0.158(19) Uani 0.61(2) 1 d D U P A 1
H70A H 0.9984 0.4686 0.6014 0.237 Uiso 0.61(2) 1 calc GR . P A 1
H70B H 1.0508 0.5286 0.6413 0.237 Uiso 0.61(2) 1 calc DGR . P A 1
H70C H 0.9464 0.5385 0.6033 0.237 Uiso 0.61(2) 1 calc GR . P A 1
C70A C 1.102(2) 0.471(2) 0.7686(17) 0.113(17) Uani 0.39(2) 1 d D U P A 2
H70D H 1.0942 0.4983 0.8000 0.169 Uiso 0.39(2) 1 calc GR . P A 2
H70E H 1.1502 0.4912 0.7547 0.169 Uiso 0.39(2) 1 calc GR . P A 2
H70F H 1.1196 0.4250 0.7817 0.169 Uiso 0.39(2) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 Sb4 2.8621(12) . ?
Sb1 Y1 3.1408(15) . ?
Sb1 Y3 3.1251(14) . ?
Sb1 C37 2.204(11) . ?
Sb2 Sb4 2.8515(12) . ?
Sb2 Y1 3.1211(15) . ?
Sb2 Y2 3.1396(16) . ?
Sb2 C46 2.195(12) . ?
Sb3 Sb4 2.8514(12) . ?
Sb3 Y2 3.1329(15) . ?
Sb3 Y3 3.1420(16) . ?
Sb3 C55 2.194(12) . ?
Y1 C1 2.655(12) . ?
Y1 C2 2.639(11) . ?
Y1 C3 2.600(12) . ?
Y1 C4 2.621(12) . ?
Y1 C5 2.662(12) . ?
Y1 C7 2.627(14) . ?
Y1 C8 2.623(13) . ?
Y1 C9 2.582(13) . ?
Y1 C10 2.589(14) . ?
Y1 C11 2.624(13) . ?
Y2 C13 2.639(13) . ?
Y2 C14 2.610(11) . ?
Y2 C15 2.586(12) . ?
Y2 C16 2.610(12) . ?
Y2 C17 2.658(12) . ?
Y2 C19 2.615(13) . ?
Y2 C20 2.613(13) . ?
Y2 C21 2.595(14) . ?
Y2 C22 2.590(14) . ?
Y2 C23 2.612(15) . ?
Y3 C25 2.624(13) . ?
Y3 C26 2.643(12) . ?
Y3 C27 2.609(12) . ?
Y3 C28 2.616(13) . ?
Y3 C29 2.619(14) . ?
Y3 C31 2.633(14) . ?
Y3 C32 2.631(13) . ?
Y3 C33 2.603(15) . ?
Y3 C34 2.587(13) . ?
Y3 C35 2.602(15) . ?
C1 H1 0.9300 . ?
C1 C2 1.408(17) . ?
C1 C5 1.405(17) . ?
C2 H2 0.9300 . ?
C2 C3 1.409(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.401(18) . ?
C4 H4 0.9300 . ?
C4 C5 1.409(18) . ?
C5 C6 1.526(17) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.389(19) . ?
C7 C11 1.38(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.40(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.363(19) . ?
C10 H10 0.9300 . ?
C10 C11 1.405(17) . ?
C11 C12 1.514(19) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C14 1.391(17) . ?
C13 C17 1.403(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.371(16) . ?
C15 H15 0.9300 . ?
C15 C16 1.393(18) . ?
C16 H16 0.9300 . ?
C16 C17 1.420(18) . ?
C17 C18 1.510(18) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C20 1.41(2) . ?
C19 C23 1.39(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(19) . ?
C21 H21 0.9300 . ?
C21 C22 1.38(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.39(2) . ?
C23 C24 1.51(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C25 C26 1.390(17) . ?
C25 C29 1.381(18) . ?
C26 H26 0.9300 . ?
C26 C27 1.429(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.410(19) . ?
C28 H28 0.9300 . ?
C28 C29 1.387(19) . ?
C29 C30 1.45(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.41(2) . ?
C31 C35 1.39(2) . ?
C32 H32 0.9300 . ?
C32 C33 1.40(2) . ?
C33 H33 0.9300 . ?
C33 C34 1.41(2) . ?
C34 H34 0.9300 . ?
C34 C35 1.39(2) . ?
C35 C36 1.503(19) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.408(16) . ?
C37 C42 1.365(16) . ?
C38 C39 1.405(16) . ?
C38 C43 1.502(15) . ?
C39 H39 0.9300 . ?
C39 C40 1.359(16) . ?
C40 C41 1.375(17) . ?
C40 C44 1.485(16) . ?
C41 H41 0.9300 . ?
C41 C42 1.413(16) . ?
C42 C45 1.517(17) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.413(17) . ?
C46 C51 1.392(17) . ?
C47 C48 1.397(17) . ?
C47 C52 1.515(16) . ?
C48 H48 0.9300 . ?
C48 C49 1.383(18) . ?
C49 C50 1.367(19) . ?
C49 C53 1.507(18) . ?
C50 H50 0.9300 . ?
C50 C51 1.384(17) . ?
C51 C54 1.513(19) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.432(17) . ?
C55 C60 1.373(16) . ?
C56 C57 1.384(17) . ?
C56 C61 1.512(16) . ?
C57 H57 0.9300 . ?
C57 C58 1.392(19) . ?
C58 C59 1.365(19) . ?
C58 C62 1.50(2) . ?
C59 H59 0.9300 . ?
C59 C60 1.384(17) . ?
C60 C63 1.506(18) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C68 H68 0.9300 . ?
C68 C69 1.3900 . ?
C68 C67 1.3900 . ?
C69 C64 1.3900 . ?
C69 C70 1.471(15) . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C67 1.3900 . ?
C67 H67 0.9300 . ?
C69A C68A 1.3900 . ?
C69A C64A 1.3900 . ?
C69A C70A 1.47(2) . ?
C68A H68A 0.9300 . ?
C68A C67A 1.3900 . ?
C67A H67A 0.9300 . ?
C67A C66A 1.3900 . ?
C66A H66A 0.9300 . ?
C66A C65A 1.3900 . ?
C65A H65A 0.9300 . ?
C65A C64A 1.3900 . ?
C64A H64A 0.9300 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C70A H70D 0.9600 . ?
C70A H70E 0.9600 . ?
C70A H70F 0.9600 . ?

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
Sb4 Sb1 Y1 83.36(4) . . ?
Sb4 Sb1 Y3 84.73(4) . . ?
Y3 Sb1 Y1 132.25(4) . . ?
C37 Sb1 Sb4 109.0(3) . . ?
C37 Sb1 Y1 112.8(3) . . ?
C37 Sb1 Y3 114.8(3) . . ?
Sb4 Sb2 Y1 83.89(4) . . ?
Sb4 Sb2 Y2 87.24(4) . . ?
Y1 Sb2 Y2 135.47(4) . . ?
C46 Sb2 Sb4 107.3(3) . . ?
C46 Sb2 Y1 109.9(3) . . ?
C46 Sb2 Y2 114.4(3) . . ?
Sb4 Sb3 Y2 87.37(4) . . ?
Sb4 Sb3 Y3 84.59(4) . . ?
Y2 Sb3 Y3 137.05(4) . . ?
C55 Sb3 Sb4 108.5(3) . . ?
C55 Sb3 Y2 109.0(3) . . ?
C55 Sb3 Y3 113.6(3) . . ?
Sb2 Sb4 Sb1 99.33(4) . . ?
Sb3 Sb4 Sb1 98.09(3) . . ?
Sb3 Sb4 Sb2 95.26(3) . . ?
Sb2 Y1 Sb1 88.14(4) . . ?
C1 Y1 Sb1 114.3(3) . . ?
C1 Y1 Sb2 79.7(3) . . ?
C1 Y1 C5 30.7(4) . . ?
C2 Y1 Sb1 86.6(3) . . ?
C2 Y1 Sb2 91.7(3) . . ?
C2 Y1 C1 30.9(4) . . ?
C2 Y1 C5 51.2(4) . . ?
C3 Y1 Sb1 87.4(3) . . ?
C3 Y1 Sb2 122.9(3) . . ?
C3 Y1 C1 51.4(4) . . ?
C3 Y1 C2 31.2(4) . . ?
C3 Y1 C4 31.1(4) . . ?
C3 Y1 C5 51.9(4) . . ?
C3 Y1 C7 125.6(5) . . ?
C3 Y1 C8 153.7(5) . . ?
C3 Y1 C11 102.7(4) . . ?
C4 Y1 Sb1 116.6(3) . . ?
C4 Y1 Sb2 129.6(3) . . ?
C4 Y1 C1 50.5(4) . . ?
C4 Y1 C2 50.8(4) . . ?
C4 Y1 C5 30.9(4) . . ?
C4 Y1 C7 117.1(5) . . ?
C4 Y1 C8 131.8(5) . . ?
C4 Y1 C11 87.2(5) . . ?
C5 Y1 Sb1 136.6(3) . . ?
C5 Y1 Sb2 101.1(3) . . ?
C7 Y1 Sb1 80.4(4) . . ?
C7 Y1 Sb2 109.6(5) . . ?
C7 Y1 C1 163.4(5) . . ?
C7 Y1 C2 154.5(5) . . ?
C7 Y1 C5 132.9(5) . . ?
C8 Y1 Sb1 95.2(4) . . ?
C8 Y1 Sb2 83.4(3) . . ?
C8 Y1 C1 145.3(5) . . ?
C8 Y1 C2 174.8(5) . . ?
C8 Y1 C5 127.8(5) . . ?
C8 Y1 C7 30.7(4) . . ?
C8 Y1 C11 51.0(4) . . ?
C9 Y1 Sb1 126.1(4) . . ?
C9 Y1 Sb2 88.3(4) . . ?
C9 Y1 C1 117.8(5) . . ?
C9 Y1 C2 147.3(5) . . ?
C9 Y1 C3 136.8(5) . . ?
C9 Y1 C4 106.5(5) . . ?
C9 Y1 C5 96.7(5) . . ?
C9 Y1 C7 50.9(5) . . ?
C9 Y1 C8 31.1(5) . . ?
C9 Y1 C10 30.6(4) . . ?
C9 Y1 C11 51.3(4) . . ?
C10 Y1 Sb1 129.0(3) . . ?
C10 Y1 Sb2 117.9(3) . . ?
C10 Y1 C1 113.1(4) . . ?
C10 Y1 C2 131.1(4) . . ?
C10 Y1 C3 108.5(5) . . ?
C10 Y1 C4 81.2(5) . . ?
C10 Y1 C5 83.7(4) . . ?
C10 Y1 C7 50.6(5) . . ?
C10 Y1 C8 50.8(5) . . ?
C10 Y1 C11 31.3(4) . . ?
C11 Y1 Sb1 98.9(3) . . ?
C11 Y1 Sb2 134.2(3) . . ?
C11 Y1 C1 134.2(5) . . ?
C11 Y1 C2 133.7(4) . . ?
C11 Y1 C5 103.9(5) . . ?
C11 Y1 C7 30.5(5) . . ?
Sb3 Y2 Sb2 84.40(4) . . ?
C13 Y2 Sb2 113.0(3) . . ?
C13 Y2 Sb3 79.5(3) . . ?
C13 Y2 C17 30.7(4) . . ?
C14 Y2 Sb2 85.6(3) . . ?
C14 Y2 Sb3 90.0(3) . . ?
C14 Y2 C13 30.7(4) . . ?
C14 Y2 C17 51.3(4) . . ?
C14 Y2 C19 154.8(5) . . ?
C14 Y2 C20 173.8(5) . . ?
C14 Y2 C23 133.0(4) . . ?
C15 Y2 Sb2 87.5(3) . . ?
C15 Y2 Sb3 120.5(3) . . ?
C15 Y2 C13 50.7(4) . . ?
C15 Y2 C14 30.6(4) . . ?
C15 Y2 C16 31.1(4) . . ?
C15 Y2 C17 51.6(4) . . ?
C15 Y2 C19 127.2(5) . . ?
C15 Y2 C20 153.0(5) . . ?
C15 Y2 C21 132.7(5) . . ?
C15 Y2 C22 105.3(5) . . ?
C15 Y2 C23 102.5(5) . . ?
C16 Y2 Sb2 116.6(3) . . ?
C16 Y2 Sb3 129.9(3) . . ?
C16 Y2 C13 50.7(4) . . ?
C16 Y2 C14 50.9(4) . . ?
C16 Y2 C17 31.3(4) . . ?
C16 Y2 C19 118.5(5) . . ?
C16 Y2 C20 129.1(5) . . ?
C16 Y2 C23 87.9(5) . . ?
C17 Y2 Sb2 136.0(3) . . ?
C17 Y2 Sb3 101.8(3) . . ?
C19 Y2 Sb2 80.4(3) . . ?
C19 Y2 Sb3 109.2(4) . . ?
C19 Y2 C13 165.2(4) . . ?
C19 Y2 C17 134.6(5) . . ?
C20 Y2 Sb2 99.0(4) . . ?
C20 Y2 Sb3 86.3(4) . . ?
C20 Y2 C13 143.2(5) . . ?
C20 Y2 C17 124.7(5) . . ?
C20 Y2 C19 31.3(4) . . ?
C21 Y2 Sb2 129.2(4) . . ?
C21 Y2 Sb3 95.0(4) . . ?
C21 Y2 C13 116.8(5) . . ?
C21 Y2 C14 145.1(5) . . ?
C21 Y2 C16 102.4(5) . . ?
C21 Y2 C17 94.0(5) . . ?
C21 Y2 C19 51.8(5) . . ?
C21 Y2 C20 30.8(4) . . ?
C21 Y2 C23 51.6(5) . . ?
C22 Y2 Sb2 127.5(4) . . ?
C22 Y2 Sb3 125.7(5) . . ?
C22 Y2 C13 114.2(5) . . ?
C22 Y2 C14 129.4(5) . . ?
C22 Y2 C16 78.7(5) . . ?
C22 Y2 C17 84.0(5) . . ?
C22 Y2 C19 51.0(5) . . ?
C22 Y2 C20 50.4(5) . . ?
C22 Y2 C21 30.9(5) . . ?
C22 Y2 C23 31.0(5) . . ?
C23 Y2 Sb2 96.8(4) . . ?
C23 Y2 Sb3 137.0(4) . . ?
C23 Y2 C13 136.2(5) . . ?
C23 Y2 C17 106.3(5) . . ?
C23 Y2 C19 30.8(4) . . ?
C23 Y2 C20 50.9(5) . . ?
Sb1 Y3 Sb3 87.03(4) . . ?
C25 Y3 Sb1 79.7(3) . . ?
C25 Y3 Sb3 112.7(3) . . ?
C25 Y3 C26 30.6(4) . . ?
C25 Y3 C31 166.4(5) . . ?
C25 Y3 C32 143.6(5) . . ?
C26 Y3 Sb1 91.5(3) . . ?
C26 Y3 Sb3 85.4(3) . . ?
C27 Y3 Sb1 123.1(3) . . ?
C27 Y3 Sb3 87.5(3) . . ?
C27 Y3 C25 51.2(4) . . ?
C27 Y3 C26 31.6(4) . . ?
C27 Y3 C28 31.3(4) . . ?
C27 Y3 C29 51.2(5) . . ?
C27 Y3 C31 126.6(5) . . ?
C27 Y3 C32 151.6(5) . . ?
C28 Y3 Sb1 129.8(3) . . ?
C28 Y3 Sb3 117.1(4) . . ?
C28 Y3 C25 50.9(4) . . ?
C28 Y3 C26 51.6(4) . . ?
C28 Y3 C29 30.7(4) . . ?
C28 Y3 C31 119.0(5) . . ?
C28 Y3 C32 128.1(5) . . ?
C29 Y3 Sb1 101.1(4) . . ?
C29 Y3 Sb3 135.3(3) . . ?
C29 Y3 C25 30.5(4) . . ?
C29 Y3 C26 50.8(4) . . ?
C29 Y3 C31 136.0(5) . . ?
C29 Y3 C32 125.1(5) . . ?
C31 Y3 Sb1 107.8(4) . . ?
C31 Y3 Sb3 79.5(4) . . ?
C31 Y3 C26 154.7(5) . . ?
C32 Y3 Sb1 85.0(4) . . ?
C32 Y3 Sb3 99.1(4) . . ?
C32 Y3 C26 174.0(5) . . ?
C32 Y3 C31 31.1(5) . . ?
C33 Y3 Sb1 93.0(4) . . ?
C33 Y3 Sb3 129.5(4) . . ?
C33 Y3 C25 116.9(5) . . ?
C33 Y3 C26 144.9(5) . . ?
C33 Y3 C27 131.4(5) . . ?
C33 Y3 C28 101.1(5) . . ?
C33 Y3 C29 94.2(5) . . ?
C33 Y3 C31 52.5(5) . . ?
C33 Y3 C32 31.0(5) . . ?
C34 Y3 Sb1 124.5(4) . . ?
C34 Y3 Sb3 125.1(3) . . ?
C34 Y3 C25 116.2(5) . . ?
C34 Y3 C26 130.2(4) . . ?
C34 Y3 C27 104.2(5) . . ?
C34 Y3 C28 78.6(5) . . ?
C34 Y3 C29 86.1(5) . . ?
C34 Y3 C31 50.2(5) . . ?
C34 Y3 C32 49.7(5) . . ?
C34 Y3 C33 31.6(4) . . ?
C34 Y3 C35 31.0(4) . . ?
C35 Y3 Sb1 135.9(3) . . ?
C35 Y3 Sb3 94.4(4) . . ?
C35 Y3 C25 137.6(5) . . ?
C35 Y3 C26 132.6(4) . . ?
C35 Y3 C27 101.0(4) . . ?
C35 Y3 C28 88.2(5) . . ?
C35 Y3 C29 108.1(5) . . ?
C35 Y3 C31 30.8(4) . . ?
C35 Y3 C32 51.3(5) . . ?
C35 Y3 C33 53.3(5) . . ?
Y1 C1 H1 117.5 . . ?
C2 C1 Y1 73.9(7) . . ?
C2 C1 H1 125.5 . . ?
C5 C1 Y1 74.9(7) . . ?
C5 C1 H1 125.5 . . ?
C5 C1 C2 109.0(12) . . ?
Y1 C2 H2 117.9 . . ?
C1 C2 Y1 75.2(7) . . ?
C1 C2 H2 126.0 . . ?
C1 C2 C3 108.1(12) . . ?
C3 C2 Y1 72.9(7) . . ?
C3 C2 H2 126.0 . . ?
Y1 C3 H3 114.6 . . ?
C2 C3 Y1 75.9(7) . . ?
C2 C3 H3 126.7 . . ?
C4 C3 Y1 75.3(7) . . ?
C4 C3 C2 106.7(12) . . ?
C4 C3 H3 126.7 . . ?
Y1 C4 H4 117.1 . . ?
C3 C4 Y1 73.6(7) . . ?
C3 C4 H4 125.0 . . ?
C3 C4 C5 110.1(12) . . ?
C5 C4 Y1 76.1(7) . . ?
C5 C4 H4 125.0 . . ?
C1 C5 Y1 74.4(7) . . ?
C1 C5 C4 106.1(12) . . ?
C1 C5 C6 126.1(13) . . ?
C4 C5 Y1 73.0(7) . . ?
C4 C5 C6 127.7(12) . . ?
C6 C5 Y1 121.2(8) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Y1 C7 H7 117.4 . . ?
C8 C7 Y1 74.5(8) . . ?
C8 C7 H7 125.3 . . ?
C11 C7 Y1 74.6(8) . . ?
C11 C7 H7 125.3 . . ?
C11 C7 C8 109.3(14) . . ?
Y1 C8 H8 117.9 . . ?
C7 C8 Y1 74.8(8) . . ?
C7 C8 H8 126.5 . . ?
C7 C8 C9 107.0(14) . . ?
C9 C8 Y1 72.8(8) . . ?
C9 C8 H8 126.5 . . ?
Y1 C9 H9 115.2 . . ?
C8 C9 Y1 76.1(8) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 Y1 75.0(8) . . ?
C10 C9 C8 108.2(14) . . ?
C10 C9 H9 125.9 . . ?
Y1 C10 H10 116.3 . . ?
C9 C10 Y1 74.4(8) . . ?
C9 C10 H10 125.5 . . ?
C9 C10 C11 109.0(15) . . ?
C11 C10 Y1 75.7(8) . . ?
C11 C10 H10 125.5 . . ?
C7 C11 Y1 74.9(8) . . ?
C7 C11 C10 106.4(13) . . ?
C7 C11 C12 127.9(16) . . ?
C10 C11 Y1 73.0(8) . . ?
C10 C11 C12 125.6(16) . . ?
C12 C11 Y1 118.7(9) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Y2 C13 H13 117.7 . . ?
C14 C13 Y2 73.5(7) . . ?
C14 C13 H13 125.3 . . ?
C14 C13 C17 109.4(12) . . ?
C17 C13 Y2 75.4(7) . . ?
C17 C13 H13 125.3 . . ?
Y2 C14 H14 116.6 . . ?
C13 C14 Y2 75.8(7) . . ?
C13 C14 H14 126.0 . . ?
C15 C14 Y2 73.7(7) . . ?
C15 C14 C13 108.1(12) . . ?
C15 C14 H14 126.0 . . ?
Y2 C15 H15 115.3 . . ?
C14 C15 Y2 75.7(7) . . ?
C14 C15 H15 125.7 . . ?
C14 C15 C16 108.6(13) . . ?
C16 C15 Y2 75.4(7) . . ?
C16 C15 H15 125.7 . . ?
Y2 C16 H16 116.5 . . ?
C15 C16 Y2 73.5(7) . . ?
C15 C16 H16 125.8 . . ?
C15 C16 C17 108.5(12) . . ?
C17 C16 Y2 76.3(7) . . ?
C17 C16 H16 125.8 . . ?
C13 C17 Y2 73.9(7) . . ?
C13 C17 C16 105.5(12) . . ?
C13 C17 C18 127.1(13) . . ?
C16 C17 Y2 72.5(7) . . ?
C16 C17 C18 127.4(13) . . ?
C18 C17 Y2 119.8(9) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Y2 C19 H19 116.8 . . ?
C20 C19 Y2 74.3(8) . . ?
C20 C19 H19 126.6 . . ?
C23 C19 Y2 74.5(8) . . ?
C23 C19 H19 126.6 . . ?
C23 C19 C20 106.9(14) . . ?
Y2 C20 H20 118.1 . . ?
C19 C20 Y2 74.4(8) . . ?
C19 C20 H20 125.4 . . ?
C21 C20 Y2 73.9(8) . . ?
C21 C20 C19 109.3(15) . . ?
C21 C20 H20 125.4 . . ?
Y2 C21 H21 116.0 . . ?
C20 C21 Y2 75.3(8) . . ?
C20 C21 H21 126.7 . . ?
C20 C21 C22 106.6(16) . . ?
C22 C21 Y2 74.3(9) . . ?
C22 C21 H21 126.7 . . ?
Y2 C22 H22 116.6 . . ?
C21 C22 Y2 74.7(9) . . ?
C21 C22 H22 125.2 . . ?
C21 C22 C23 109.7(16) . . ?
C23 C22 Y2 75.4(9) . . ?
C23 C22 H22 125.2 . . ?
C19 C23 Y2 74.7(9) . . ?
C19 C23 C22 107.6(16) . . ?
C19 C23 C24 124.9(18) . . ?
C22 C23 Y2 73.6(9) . . ?
C22 C23 C24 127.5(18) . . ?
C24 C23 Y2 116.2(10) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Y3 C25 H25 116.6 . . ?
C26 C25 Y3 75.4(8) . . ?
C26 C25 H25 125.4 . . ?
C29 C25 Y3 74.5(8) . . ?
C29 C25 H25 125.4 . . ?
C29 C25 C26 109.2(13) . . ?
Y3 C26 H26 118.6 . . ?
C25 C26 Y3 73.9(7) . . ?
C25 C26 H26 126.6 . . ?
C25 C26 C27 106.8(13) . . ?
C27 C26 Y3 72.9(7) . . ?
C27 C26 H26 126.6 . . ?
Y3 C27 H27 115.8 . . ?
C26 C27 Y3 75.5(7) . . ?
C26 C27 H27 126.3 . . ?
C28 C27 Y3 74.6(7) . . ?
C28 C27 C26 107.4(13) . . ?
C28 C27 H27 126.3 . . ?
Y3 C28 H28 117.1 . . ?
C27 C28 Y3 74.1(7) . . ?
C27 C28 H28 126.2 . . ?
C29 C28 Y3 74.8(8) . . ?
C29 C28 C27 107.7(13) . . ?
C29 C28 H28 126.2 . . ?
C25 C29 Y3 74.9(8) . . ?
C25 C29 C28 108.9(14) . . ?
C25 C29 C30 129.7(16) . . ?
C28 C29 Y3 74.5(8) . . ?
C28 C29 C30 121.2(15) . . ?
C30 C29 Y3 121.5(11) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Y3 C31 H31 118.1 . . ?
C32 C31 Y3 74.4(8) . . ?
C32 C31 H31 126.2 . . ?
C35 C31 Y3 73.4(8) . . ?
C35 C31 H31 126.2 . . ?
C35 C31 C32 107.7(15) . . ?
Y3 C32 H32 119.2 . . ?
C31 C32 Y3 74.5(8) . . ?
C31 C32 H32 124.5 . . ?
C33 C32 Y3 73.4(9) . . ?
C33 C32 C31 110.9(15) . . ?
C33 C32 H32 124.5 . . ?
Y3 C33 H33 115.2 . . ?
C32 C33 Y3 75.6(9) . . ?
C32 C33 H33 128.7 . . ?
C32 C33 C34 102.6(15) . . ?
C34 C33 Y3 73.6(8) . . ?
C34 C33 H33 128.7 . . ?
Y3 C34 H34 118.0 . . ?
C33 C34 Y3 74.9(8) . . ?
C33 C34 H34 123.5 . . ?
C35 C34 Y3 75.1(8) . . ?
C35 C34 C33 113.1(15) . . ?
C35 C34 H34 123.5 . . ?
C31 C35 Y3 75.8(8) . . ?
C31 C35 C36 126.2(16) . . ?
C34 C35 Y3 73.9(9) . . ?
C34 C35 C31 105.6(14) . . ?
C34 C35 C36 128.2(16) . . ?
C36 C35 Y3 117.8(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Sb1 112.7(8) . . ?
C42 C37 Sb1 128.2(9) . . ?
C42 C37 C38 119.1(11) . . ?
C37 C38 C43 123.2(11) . . ?
C39 C38 C37 118.6(11) . . ?
C39 C38 C43 118.2(11) . . ?
C38 C39 H39 118.3 . . ?
C40 C39 C38 123.3(12) . . ?
C40 C39 H39 118.3 . . ?
C39 C40 C41 116.8(12) . . ?
C39 C40 C44 122.4(12) . . ?
C41 C40 C44 120.8(12) . . ?
C40 C41 H41 118.8 . . ?
C40 C41 C42 122.3(12) . . ?
C42 C41 H41 118.8 . . ?
C37 C42 C41 119.8(12) . . ?
C37 C42 C45 123.6(12) . . ?
C41 C42 C45 116.6(11) . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 Sb2 113.4(9) . . ?
C51 C46 Sb2 126.7(10) . . ?
C51 C46 C47 119.8(12) . . ?
C46 C47 C52 122.7(11) . . ?
C48 C47 C46 118.3(12) . . ?
C48 C47 C52 119.0(12) . . ?
C47 C48 H48 119.0 . . ?
C49 C48 C47 122.1(13) . . ?
C49 C48 H48 119.0 . . ?
C48 C49 C53 121.2(15) . . ?
C50 C49 C48 117.7(13) . . ?
C50 C49 C53 121.1(14) . . ?
C49 C50 H50 118.4 . . ?
C49 C50 C51 123.2(14) . . ?
C51 C50 H50 118.4 . . ?
C46 C51 C54 125.3(12) . . ?
C50 C51 C46 118.8(14) . . ?
C50 C51 C54 115.9(12) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Sb3 111.6(9) . . ?
C60 C55 Sb3 129.1(9) . . ?
C60 C55 C56 119.2(11) . . ?
C55 C56 C61 123.7(12) . . ?
C57 C56 C55 118.3(12) . . ?
C57 C56 C61 118.0(12) . . ?
C56 C57 H57 118.8 . . ?
C56 C57 C58 122.4(14) . . ?
C58 C57 H57 118.8 . . ?
C57 C58 C62 123.6(15) . . ?
C59 C58 C57 117.3(14) . . ?
C59 C58 C62 119.0(14) . . ?
C58 C59 H59 118.5 . . ?
C58 C59 C60 122.9(13) . . ?
C60 C59 H59 118.5 . . ?
C55 C60 C59 119.8(12) . . ?
C55 C60 C63 122.5(12) . . ?
C59 C60 C63 117.7(12) . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C58 C62 H62A 109.5 . . ?
C58 C62 H62B 109.5 . . ?
C58 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C69 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C69 C70 120.6(10) . . ?
C64 C69 C68 120.0 . . ?
C64 C69 C70 118.9(11) . . ?
C69 C64 H64 120.0 . . ?
C65 C64 C69 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C65 C66 C67 120.0 . . ?
C67 C66 H66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C66 C67 C68 120.0 . . ?
C66 C67 H67 120.0 . . ?
C68A C69A C64A 120.0 . . ?
C68A C69A C70A 120.9(15) . . ?
C64A C69A C70A 119.1(15) . . ?
C69A C68A H68A 120.0 . . ?
C69A C68A C67A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C66A C67A C68A 120.0 . . ?
C66A C67A H67A 120.0 . . ?
C67A C66A H66A 120.0 . . ?
C67A C66A C65A 120.0 . . ?
C65A C66A H66A 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C64A C65A C66A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C69A C64A H64A 120.0 . . ?
C65A C64A C69A 120.0 . . ?
C65A C64A H64A 120.0 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69A C70A H70D 109.5 . . ?
C69A C70A H70E 109.5 . . ?
C69A C70A H70F 109.5 . . ?
H70D C70A H70E 109.5 . . ?
H70D C70A H70F 109.5 . . ?
H70E C70A H70F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb1 C37 C38 C39 178.1(9) . . . . ?
Sb1 C37 C38 C43 -2.6(16) . . . . ?
Sb1 C37 C42 C41 -178.4(9) . . . . ?
Sb1 C37 C42 C45 3(2) . . . . ?
Sb2 C46 C47 C48 -176.6(10) . . . . ?
Sb2 C46 C47 C52 3.4(17) . . . . ?
Sb2 C46 C51 C50 177.8(10) . . . . ?
Sb2 C46 C51 C54 -3(2) . . . . ?
Sb3 C55 C56 C57 178.6(11) . . . . ?
Sb3 C55 C56 C61 -2.6(16) . . . . ?
Sb3 C55 C60 C59 -180.0(10) . . . . ?
Sb3 C55 C60 C63 2(2) . . . . ?
Y1 C1 C2 C3 -66.0(8) . . . . ?
Y1 C1 C5 C4 66.6(8) . . . . ?
Y1 C1 C5 C6 -117.5(12) . . . . ?
Y1 C2 C3 C4 -69.6(9) . . . . ?
Y1 C3 C4 C5 -68.0(9) . . . . ?
Y1 C4 C5 C1 -67.6(8) . . . . ?
Y1 C4 C5 C6 116.6(12) . . . . ?
Y1 C7 C8 C9 -66.2(10) . . . . ?
Y1 C7 C11 C10 66.8(9) . . . . ?
Y1 C7 C11 C12 -114.9(14) . . . . ?
Y1 C8 C9 C10 -68.7(10) . . . . ?
Y1 C9 C10 C11 -68.5(10) . . . . ?
Y1 C10 C11 C7 -68.1(10) . . . . ?
Y1 C10 C11 C12 113.6(13) . . . . ?
Y2 C13 C14 C15 -67.2(9) . . . . ?
Y2 C13 C17 C16 66.1(9) . . . . ?
Y2 C13 C17 C18 -115.5(13) . . . . ?
Y2 C14 C15 C16 -68.9(9) . . . . ?
Y2 C15 C16 C17 -68.9(9) . . . . ?
Y2 C16 C17 C13 -67.1(8) . . . . ?
Y2 C16 C17 C18 114.6(13) . . . . ?
Y2 C19 C20 C21 -66.3(11) . . . . ?
Y2 C19 C23 C22 66.8(10) . . . . ?
Y2 C19 C23 C24 -111.6(15) . . . . ?
Y2 C20 C21 C22 -68.3(10) . . . . ?
Y2 C21 C22 C23 -67.9(11) . . . . ?
Y2 C22 C23 C19 -67.6(10) . . . . ?
Y2 C22 C23 C24 110.8(16) . . . . ?
Y3 C25 C26 C27 -66.0(9) . . . . ?
Y3 C25 C29 C28 67.4(10) . . . . ?
Y3 C25 C29 C30 -118.6(16) . . . . ?
Y3 C26 C27 C28 -68.4(9) . . . . ?
Y3 C27 C28 C29 -67.8(9) . . . . ?
Y3 C28 C29 C25 -67.6(10) . . . . ?
Y3 C28 C29 C30 117.7(14) . . . . ?
Y3 C31 C32 C33 -64.9(12) . . . . ?
Y3 C31 C35 C34 68.4(10) . . . . ?
Y3 C31 C35 C36 -114.3(14) . . . . ?
Y3 C32 C33 C34 -69.1(9) . . . . ?
Y3 C33 C34 C35 -66.1(11) . . . . ?
Y3 C34 C35 C31 -69.8(10) . . . . ?
Y3 C34 C35 C36 113.0(15) . . . . ?
C1 C2 C3 Y1 67.6(8) . . . . ?
C1 C2 C3 C4 -2.0(14) . . . . ?
C2 C1 C5 Y1 -66.7(8) . . . . ?
C2 C1 C5 C4 -0.1(13) . . . . ?
C2 C1 C5 C6 175.8(11) . . . . ?
C2 C3 C4 Y1 70.0(8) . . . . ?
C2 C3 C4 C5 2.0(14) . . . . ?
C3 C4 C5 Y1 66.4(9) . . . . ?
C3 C4 C5 C1 -1.2(14) . . . . ?
C3 C4 C5 C6 -177.0(12) . . . . ?
C5 C1 C2 Y1 67.4(8) . . . . ?
C5 C1 C2 C3 1.4(13) . . . . ?
C7 C8 C9 Y1 67.6(10) . . . . ?
C7 C8 C9 C10 -1.2(17) . . . . ?
C8 C7 C11 Y1 -67.0(10) . . . . ?
C8 C7 C11 C10 -0.3(16) . . . . ?
C8 C7 C11 C12 178.0(13) . . . . ?
C8 C9 C10 Y1 69.5(10) . . . . ?
C8 C9 C10 C11 1.0(16) . . . . ?
C9 C10 C11 Y1 67.6(10) . . . . ?
C9 C10 C11 C7 -0.5(16) . . . . ?
C9 C10 C11 C12 -178.8(13) . . . . ?
C11 C7 C8 Y1 67.1(10) . . . . ?
C11 C7 C8 C9 0.9(17) . . . . ?
C13 C14 C15 Y2 68.6(9) . . . . ?
C13 C14 C15 C16 -0.3(15) . . . . ?
C14 C13 C17 Y2 -66.2(9) . . . . ?
C14 C13 C17 C16 -0.1(14) . . . . ?
C14 C13 C17 C18 178.2(13) . . . . ?
C14 C15 C16 Y2 69.1(9) . . . . ?
C14 C15 C16 C17 0.2(15) . . . . ?
C15 C16 C17 Y2 67.1(9) . . . . ?
C15 C16 C17 C13 -0.1(14) . . . . ?
C15 C16 C17 C18 -178.4(13) . . . . ?
C17 C13 C14 Y2 67.4(9) . . . . ?
C17 C13 C14 C15 0.2(15) . . . . ?
C19 C20 C21 Y2 66.6(11) . . . . ?
C19 C20 C21 C22 -1.7(17) . . . . ?
C20 C19 C23 Y2 -67.8(10) . . . . ?
C20 C19 C23 C22 -1.0(17) . . . . ?
C20 C19 C23 C24 -179.4(14) . . . . ?
C20 C21 C22 Y2 69.0(10) . . . . ?
C20 C21 C22 C23 1.1(18) . . . . ?
C21 C22 C23 Y2 67.5(11) . . . . ?
C21 C22 C23 C19 0.0(18) . . . . ?
C21 C22 C23 C24 178.3(15) . . . . ?
C23 C19 C20 Y2 68.0(10) . . . . ?
C23 C19 C20 C21 1.7(17) . . . . ?
C25 C26 C27 Y3 66.8(9) . . . . ?
C25 C26 C27 C28 -1.6(14) . . . . ?
C26 C25 C29 Y3 -68.1(9) . . . . ?
C26 C25 C29 C28 -0.8(16) . . . . ?
C26 C25 C29 C30 173.2(15) . . . . ?
C26 C27 C28 Y3 69.0(9) . . . . ?
C26 C27 C28 C29 1.2(15) . . . . ?
C27 C28 C29 Y3 67.4(9) . . . . ?
C27 C28 C29 C25 -0.3(16) . . . . ?
C27 C28 C29 C30 -174.9(14) . . . . ?
C29 C25 C26 Y3 67.5(10) . . . . ?
C29 C25 C26 C27 1.5(15) . . . . ?
C31 C32 C33 Y3 65.6(11) . . . . ?
C31 C32 C33 C34 -3.5(17) . . . . ?
C32 C31 C35 Y3 -67.0(10) . . . . ?
C32 C31 C35 C34 1.4(16) . . . . ?
C32 C31 C35 C36 178.6(13) . . . . ?
C32 C33 C34 Y3 70.6(10) . . . . ?
C32 C33 C34 C35 4.5(17) . . . . ?
C33 C34 C35 Y3 66.0(11) . . . . ?
C33 C34 C35 C31 -3.8(17) . . . . ?
C33 C34 C35 C36 179.0(13) . . . . ?
C35 C31 C32 Y3 66.3(10) . . . . ?
C35 C31 C32 C33 1.4(18) . . . . ?
C37 C38 C39 C40 -1(2) . . . . ?
C38 C37 C42 C41 -1(2) . . . . ?
C38 C37 C42 C45 -179.6(12) . . . . ?
C38 C39 C40 C41 2(2) . . . . ?
C38 C39 C40 C44 -179.7(13) . . . . ?
C39 C40 C41 C42 -3(2) . . . . ?
C40 C41 C42 C37 2(2) . . . . ?
C40 C41 C42 C45 -178.7(13) . . . . ?
C42 C37 C38 C39 0.1(19) . . . . ?
C42 C37 C38 C43 179.3(12) . . . . ?
C43 C38 C39 C40 179.7(13) . . . . ?
C44 C40 C41 C42 179.1(13) . . . . ?
C46 C47 C48 C49 -3(2) . . . . ?
C47 C46 C51 C50 0(2) . . . . ?
C47 C46 C51 C54 178.5(14) . . . . ?
C47 C48 C49 C50 2(2) . . . . ?
C47 C48 C49 C53 -178.5(14) . . . . ?
C48 C49 C50 C51 0(2) . . . . ?
C49 C50 C51 C46 0(2) . . . . ?
C49 C50 C51 C54 -179.4(14) . . . . ?
C51 C46 C47 C48 2(2) . . . . ?
C51 C46 C47 C52 -178.2(12) . . . . ?
C52 C47 C48 C49 177.4(13) . . . . ?
C53 C49 C50 C51 -179.9(14) . . . . ?
C55 C56 C57 C58 1(2) . . . . ?
C56 C55 C60 C59 -3(2) . . . . ?
C56 C55 C60 C63 179.2(14) . . . . ?
C56 C57 C58 C59 0(3) . . . . ?
C56 C57 C58 C62 177.4(18) . . . . ?
C57 C58 C59 C60 -2(3) . . . . ?
C58 C59 C60 C55 3(2) . . . . ?
C58 C59 C60 C63 -178.8(16) . . . . ?
C60 C55 C56 C57 1(2) . . . . ?
C60 C55 C56 C61 -179.9(13) . . . . ?
C61 C56 C57 C58 -178.3(15) . . . . ?
C62 C58 C59 C60 -179.5(17) . . . . ?
C68 C69 C64 C65 0.0 . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C67 C68 C69 C64 0.0 . . . . ?
C67 C68 C69 C70 -172(2) . . . . ?
C69A C68A C67A C66A 0.0 . . . . ?
C68A C69A C64A C65A 0.0 . . . . ?
C68A C67A C66A C65A 0.0 . . . . ?
C67A C66A C65A C64A 0.0 . . . . ?
C66A C65A C64A C69A 0.0 . . . . ?
C64A C69A C68A C67A 0.0 . . . . ?
C70 C69 C64 C65 172(2) . . . . ?
C70A C69A C68A C67A 178(4) . . . . ?
C70A C69A C64A C65A -179(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Toluene
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
####################################################################### 
# 
# 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_aral306_rered_xprep
_database_code_depnum_ccdc_archive 'CCDC 1484571'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_audit_creation_date             2015-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        2-Dy
_chemical_formula_moiety         'C63 H75 Dy3 Sb4, C7 H8'
_chemical_formula_sum            'C70 H83 Dy3 Sb4'
_chemical_formula_weight         1898.86
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         Dy3Sb4C70H83
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   14.8968(3)
_cell_length_b                   19.3308(4)
_cell_length_c                   24.2616(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.568(2)
_cell_angle_gamma                90
_cell_volume                     6696.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    19363
_cell_measurement_temperature    150.02(10)
_cell_measurement_theta_max      27.6610
_cell_measurement_theta_min      3.6750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.930
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3620
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_unetI/netI     0.0613
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            46304
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.369
_diffrn_ambient_temperature      150.02(10)
_diffrn_detector_area_resol_mean 8.0714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -7.00   91.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   37.0000    0.0000 98

#__ type_ start__ end____ width___ exp.time_
  2 omega   13.00   61.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000  -60.0000 48

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00   61.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000  120.0000 81

#__ type_ start__ end____ width___ exp.time_
  4 omega  -49.00   40.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000    0.0000 89

#__ type_ start__ end____ width___ exp.time_
  5 omega  -16.00   51.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663   57.0000  -90.0000 67

#__ type_ start__ end____ width___ exp.time_
  6 omega   35.00   95.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  178.0000  -60.0000 60

#__ type_ start__ end____ width___ exp.time_
  7 omega  -87.00   -4.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -57.0000  120.0000 83

#__ type_ start__ end____ width___ exp.time_
  8 omega  -88.00   10.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000   30.0000 98

#__ type_ start__ end____ width___ exp.time_
  9 omega  -86.00   10.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000 -120.0000 96
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0302894000
_diffrn_orient_matrix_UB_12      -0.0265648000
_diffrn_orient_matrix_UB_13      0.0041131000
_diffrn_orient_matrix_UB_21      0.0393802000
_diffrn_orient_matrix_UB_22      -0.0200542000
_diffrn_orient_matrix_UB_23      0.0148310000
_diffrn_orient_matrix_UB_31      -0.0010029000
_diffrn_orient_matrix_UB_32      0.0154182000
_diffrn_orient_matrix_UB_33      0.0263399000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                12454
_reflns_number_total             13695
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 
;
 Flack x determined using 5503 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.015(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         13695
_refine_ls_number_restraints     455
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0349
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0156P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0615
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained planarity
 C64A, C65A, C66A, C67A, C68A, C69A, C70A
 with sigma of 0.1
3. Rigid bond restraints
 C64A, C65A, C66A, C67A, C68A, C69A, C70A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C64, C65, C66, C67, C68, C69, C70
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C20, C19, C23, C22, C21, C24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C34, C33, C32, C31, C35, C36
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C64A \\sim C65A \\sim C66A \\sim C67A \\sim C68A \\sim C69A \\sim C70A: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C64 \\sim C65 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04
C20 \\sim C19 \\sim C23 \\sim C22 \\sim C21 \\sim C24: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C36 \\sim C35 \\sim C34 \\sim C33 \\sim C32 \\sim C31: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
Uanis(C66A) \\sim Ueq, Uanis(C64A) \\sim Ueq, Uanis(C65A) \\sim Ueq,
Uanis(C69A) \\sim Ueq, Uanis(C70A) \\sim Ueq, Uanis(C68A) \\sim Ueq,
Uanis(C67A) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C36) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C33)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of 0.02 and
sigma for terminal atoms of 0.04
Uanis(C70) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C64) \\sim Ueq, Uanis(C66)
\\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C67) \\sim Ueq, Uanis(C68) \\sim Ueq:
with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C54) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C52) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C46) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C49)
\\sim Ueq, Uanis(C50) \\sim Ueq, Uanis(C51) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C46, C47, C48, C49, C50, C51, C52, C53, C54
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C65A)=Sof(H65A)=Sof(C66A)=Sof(H66A)=Sof(C67A)=Sof(H67A)=Sof(C68A)=
 Sof(H68A)=Sof(C69A)=Sof(C64A)=Sof(H64A)=Sof(C70A)=Sof(H70A)=Sof(H70B)=
 Sof(H70C)=1-FVAR(1)
 Sof(C65)=Sof(H65)=Sof(C64)=Sof(H64)=Sof(C69)=Sof(C68)=Sof(H68)=Sof(C67)=
 Sof(H67)=Sof(C66)=Sof(H66)=Sof(C70)=Sof(H70D)=Sof(H70E)=Sof(H70F)=FVAR(1)
7.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34),
 C39(H39), C41(H41), C48(H48), C50(H50), C57(H57), C59(H59), C65(H65), C64(H64),
  C68(H68), C67(H67), C66(H66), C65A(H65A), C66A(H66A), C67A(H67A), C68A(H68A),
 C64A(H64A)
7.b Fitted hexagon refined as free rotating group:
 C65(C64,C69,C68,C67,C66), C65A(C66A,C67A,C68A,C69A,C64A)
7.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C24(H24A,H24B,
 H24C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C54(H54A,H54B,H54C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,
 H63C), C70A(H70A,H70B,H70C), C70(H70D,H70E,H70F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.38681(3) 0.02360(3) 0.29726(2) 0.02640(12) Uani 1 1 d . . . . .
Dy2 Dy 0.55622(3) -0.10310(3) 0.13876(2) 0.03006(13) Uani 1 1 d . . . . .
Dy3 Dy 0.53514(3) 0.19748(3) 0.14985(2) 0.02961(12) Uani 1 1 d . . . . .
Sb1 Sb 0.51560(5) -0.08141(4) 0.25693(3) 0.02890(17) Uani 1 1 d . . . . .
Sb2 Sb 0.62305(5) 0.05138(4) 0.14524(3) 0.03022(17) Uani 1 1 d . . . . .
Sb3 Sb 0.49904(5) 0.14500(4) 0.26391(3) 0.02826(17) Uani 1 1 d . . . . .
Sb4 Sb 0.63209(5) 0.03837(4) 0.26417(3) 0.03153(18) Uani 1 1 d . . . . .
C1 C 0.2053(7) -0.0026(7) 0.2634(5) 0.041(3) Uani 1 1 d . . . . .
H1 H 0.1798 -0.0243 0.2897 0.049 Uiso 1 1 calc R . . . .
C2 C 0.2446(7) -0.0368(6) 0.2229(4) 0.033(3) Uani 1 1 d . . . . .
H2 H 0.2492 -0.0843 0.2184 0.040 Uiso 1 1 calc R . . . .
C3 C 0.2747(7) 0.0147(6) 0.1917(4) 0.029(2) Uani 1 1 d . . . . .
H3 H 0.3033 0.0074 0.1627 0.034 Uiso 1 1 calc R . . . .
C4 C 0.2537(7) 0.0809(6) 0.2122(4) 0.034(3) Uani 1 1 d . . . . .
H4 H 0.2659 0.1238 0.1985 0.041 Uiso 1 1 calc R . . . .
C5 C 0.2119(7) 0.0696(6) 0.2562(5) 0.037(3) Uani 1 1 d . . . . .
C6 C 0.1730(8) 0.1252(7) 0.2873(5) 0.055(4) Uani 1 1 d . . . . .
H6A H 0.1605 0.1057 0.3207 0.082 Uiso 1 1 calc GR . . . .
H6B H 0.1159 0.1433 0.2621 0.082 Uiso 1 1 calc GR . . . .
H6C H 0.2179 0.1619 0.2988 0.082 Uiso 1 1 calc GR . . . .
C7 C 0.3502(9) 0.0316(6) 0.3954(4) 0.043(3) Uani 1 1 d . . . . .
H7 H 0.2886 0.0416 0.3943 0.051 Uiso 1 1 calc R . . . .
C8 C 0.4193(10) 0.0795(7) 0.3980(5) 0.049(3) Uani 1 1 d . . . . .
H8 H 0.4121 0.1273 0.3980 0.059 Uiso 1 1 calc R . . . .
C9 C 0.5023(9) 0.0443(8) 0.4005(5) 0.054(4) Uani 1 1 d . . . . .
H9 H 0.5602 0.0642 0.4029 0.064 Uiso 1 1 calc R . . . .
C10 C 0.4821(9) -0.0257(7) 0.3988(5) 0.049(3) Uani 1 1 d . . . . .
H10 H 0.5252 -0.0609 0.4001 0.058 Uiso 1 1 calc R . . . .
C11 C 0.3882(9) -0.0354(6) 0.3947(4) 0.038(3) Uani 1 1 d . . . . .
C12 C 0.3372(11) -0.1036(7) 0.3930(5) 0.078(5) Uani 1 1 d . . . . .
H12A H 0.2828 -0.1043 0.3603 0.117 Uiso 1 1 calc GR . . . .
H12B H 0.3186 -0.1087 0.4275 0.117 Uiso 1 1 calc GR . . . .
H12C H 0.3781 -0.1410 0.3901 0.117 Uiso 1 1 calc GR . . . .
C13 C 0.4449(8) -0.1432(7) 0.0398(5) 0.048(3) Uani 1 1 d . . . . .
H13 H 0.4727 -0.1686 0.0165 0.057 Uiso 1 1 calc R . . . .
C14 C 0.4351(8) -0.0718(7) 0.0405(4) 0.041(3) Uani 1 1 d . . . . .
H14 H 0.4546 -0.0410 0.0168 0.050 Uiso 1 1 calc R . . . .
C15 C 0.3916(8) -0.0533(6) 0.0819(4) 0.037(3) Uani 1 1 d . . . . .
H15 H 0.3786 -0.0086 0.0916 0.044 Uiso 1 1 calc R . . . .
C16 C 0.3707(8) -0.1160(6) 0.1068(5) 0.041(3) Uani 1 1 d . . . . .
H16 H 0.3400 -0.1198 0.1352 0.049 Uiso 1 1 calc R . . . .
C17 C 0.4043(8) -0.1696(7) 0.0811(5) 0.047(3) Uani 1 1 d . . . . .
C18 C 0.3957(12) -0.2448(9) 0.0888(8) 0.101(6) Uani 1 1 d . . . . .
H18A H 0.4330 -0.2691 0.0687 0.151 Uiso 1 1 calc GR . . . .
H18B H 0.3314 -0.2584 0.0738 0.151 Uiso 1 1 calc GR . . . .
H18C H 0.4173 -0.2560 0.1290 0.151 Uiso 1 1 calc GR . . . .
C19 C 0.6464(9) -0.2075(7) 0.1146(6) 0.055(3) Uani 1 1 d . U . . .
H19 H 0.6123 -0.2374 0.0863 0.066 Uiso 1 1 calc R . . . .
C20 C 0.6552(10) -0.2141(8) 0.1724(6) 0.063(4) Uani 1 1 d . U . . .
H20 H 0.6279 -0.2482 0.1893 0.076 Uiso 1 1 calc R . . . .
C21 C 0.7118(10) -0.1610(8) 0.2009(6) 0.061(4) Uani 1 1 d . U . . .
H21 H 0.7293 -0.1531 0.2403 0.074 Uiso 1 1 calc R . . . .
C22 C 0.7384(9) -0.1211(7) 0.1597(6) 0.054(3) Uani 1 1 d . U . . .
H22 H 0.7772 -0.0825 0.1670 0.065 Uiso 1 1 calc R . . . .
C23 C 0.6950(9) -0.1505(7) 0.1047(5) 0.048(3) Uani 1 1 d . U . . .
C24 C 0.7026(10) -0.1249(7) 0.0473(6) 0.071(4) Uani 1 1 d . U . . .
H24A H 0.6479 -0.0983 0.0287 0.106 Uiso 1 1 calc GR . . . .
H24B H 0.7073 -0.1637 0.0236 0.106 Uiso 1 1 calc GR . . . .
H24C H 0.7573 -0.0964 0.0532 0.106 Uiso 1 1 calc GR . . . .
C25 C 0.3924(8) 0.2557(6) 0.0757(5) 0.042(3) Uani 1 1 d . . . . .
H25 H 0.3927 0.3037 0.0748 0.051 Uiso 1 1 calc R . . . .
C26 C 0.3543(7) 0.2159(6) 0.1100(5) 0.040(3) Uani 1 1 d . . . . .
H26 H 0.3235 0.2323 0.1357 0.049 Uiso 1 1 calc R . . . .
C27 C 0.3696(7) 0.1468(6) 0.0996(4) 0.032(3) Uani 1 1 d . . . . .
H27 H 0.3523 0.1089 0.1179 0.038 Uiso 1 1 calc R . . . .
C28 C 0.4161(7) 0.1445(6) 0.0564(4) 0.032(3) Uani 1 1 d . . . . .
H28 H 0.4334 0.1047 0.0404 0.039 Uiso 1 1 calc R . . . .
C29 C 0.4314(7) 0.2118(7) 0.0420(5) 0.039(3) Uani 1 1 d . . . . .
C30 C 0.4766(9) 0.2358(8) -0.0049(5) 0.070(5) Uani 1 1 d . . . . .
H30A H 0.5152 0.2755 0.0086 0.105 Uiso 1 1 calc GR . . . .
H30B H 0.4283 0.2476 -0.0392 0.105 Uiso 1 1 calc GR . . . .
H30C H 0.5142 0.1991 -0.0132 0.105 Uiso 1 1 calc GR . . . .
C31 C 0.6084(11) 0.3150(8) 0.1339(7) 0.077(4) Uani 1 1 d . U . . .
H31 H 0.5766 0.3395 0.1011 0.093 Uiso 1 1 calc R . . . .
C32 C 0.6776(10) 0.2661(8) 0.1360(6) 0.072(4) Uani 1 1 d . U . . .
H32 H 0.6995 0.2519 0.1056 0.086 Uiso 1 1 calc R . . . .
C33 C 0.7079(8) 0.2423(8) 0.1924(6) 0.060(4) Uani 1 1 d . U . . .
H33 H 0.7546 0.2097 0.2068 0.072 Uiso 1 1 calc R . . . .
C34 C 0.6557(9) 0.2761(7) 0.2230(6) 0.054(3) Uani 1 1 d . U . . .
H34 H 0.6614 0.2691 0.2618 0.065 Uiso 1 1 calc R . . . .
C35 C 0.5935(9) 0.3222(7) 0.1875(7) 0.065(4) Uani 1 1 d . U . . .
C36 C 0.5241(12) 0.3680(9) 0.2034(9) 0.134(8) Uani 1 1 d . U . . .
H36A H 0.4670 0.3428 0.1995 0.201 Uiso 1 1 calc GR . . . .
H36B H 0.5115 0.4075 0.1785 0.201 Uiso 1 1 calc GR . . . .
H36C H 0.5491 0.3830 0.2425 0.201 Uiso 1 1 calc GR . . . .
C37 C 0.5862(7) -0.1553(5) 0.3242(4) 0.029(2) Uani 1 1 d . . . . .
C38 C 0.5340(7) -0.2162(5) 0.3246(4) 0.031(2) Uani 1 1 d . . . . .
C39 C 0.5696(8) -0.2658(6) 0.3665(5) 0.034(3) Uani 1 1 d . . . . .
H39 H 0.5340 -0.3053 0.3664 0.041 Uiso 1 1 calc R . . . .
C40 C 0.6533(8) -0.2604(6) 0.4078(4) 0.032(3) Uani 1 1 d . . . . .
C41 C 0.7043(7) -0.2005(6) 0.4058(4) 0.036(3) Uani 1 1 d . . . . .
H41 H 0.7627 -0.1954 0.4325 0.043 Uiso 1 1 calc R . . . .
C42 C 0.6720(7) -0.1475(6) 0.3654(4) 0.031(3) Uani 1 1 d . . . . .
C43 C 0.4419(8) -0.2302(7) 0.2809(5) 0.055(4) Uani 1 1 d . . . . .
H43A H 0.3961 -0.1977 0.2859 0.082 Uiso 1 1 calc GR . . . .
H43B H 0.4217 -0.2764 0.2860 0.082 Uiso 1 1 calc GR . . . .
H43C H 0.4488 -0.2255 0.2430 0.082 Uiso 1 1 calc GR . . . .
C44 C 0.6919(9) -0.3135(6) 0.4529(5) 0.053(3) Uani 1 1 d . . . . .
H44A H 0.7449 -0.3357 0.4453 0.079 Uiso 1 1 calc GR . . . .
H44B H 0.6446 -0.3474 0.4524 0.079 Uiso 1 1 calc GR . . . .
H44C H 0.7111 -0.2916 0.4899 0.079 Uiso 1 1 calc GR . . . .
C45 C 0.7348(8) -0.0851(6) 0.3706(5) 0.046(3) Uani 1 1 d . . . . .
H45A H 0.7475 -0.0769 0.3345 0.069 Uiso 1 1 calc GR . . . .
H45B H 0.7926 -0.0932 0.3999 0.069 Uiso 1 1 calc GR . . . .
H45C H 0.7043 -0.0453 0.3807 0.069 Uiso 1 1 calc GR . . . .
C46 C 0.7649(7) 0.0635(5) 0.1368(4) 0.028(2) Uani 1 1 d . U . . .
C47 C 0.8494(8) 0.0599(7) 0.1807(5) 0.042(3) Uani 1 1 d . U . . .
C48 C 0.9345(8) 0.0673(7) 0.1674(5) 0.048(3) Uani 1 1 d . U . . .
H48 H 0.9903 0.0638 0.1967 0.057 Uiso 1 1 calc R . . . .
C49 C 0.9374(9) 0.0794(8) 0.1125(6) 0.063(4) Uani 1 1 d . U . . .
C50 C 0.8537(9) 0.0817(8) 0.0702(6) 0.066(4) Uani 1 1 d . U . . .
H50 H 0.8550 0.0881 0.0324 0.080 Uiso 1 1 calc R . . . .
C51 C 0.7670(8) 0.0750(6) 0.0806(5) 0.038(3) Uani 1 1 d . U . . .
C52 C 0.8561(9) 0.0489(8) 0.2438(5) 0.071(4) Uani 1 1 d . U . . .
H52A H 0.8239 0.0856 0.2568 0.106 Uiso 1 1 calc GR . . . .
H52B H 0.9207 0.0486 0.2660 0.106 Uiso 1 1 calc GR . . . .
H52C H 0.8278 0.0054 0.2483 0.106 Uiso 1 1 calc GR . . . .
C53 C 1.0285(10) 0.0876(10) 0.1004(7) 0.105(6) Uani 1 1 d . U . . .
H53A H 1.0557 0.1313 0.1152 0.158 Uiso 1 1 calc GR . . . .
H53B H 1.0194 0.0862 0.0596 0.158 Uiso 1 1 calc GR . . . .
H53C H 1.0697 0.0508 0.1184 0.158 Uiso 1 1 calc GR . . . .
C54 C 0.6789(8) 0.0807(7) 0.0312(5) 0.051(3) Uani 1 1 d . U . . .
H54A H 0.6401 0.0410 0.0310 0.077 Uiso 1 1 calc GR . . . .
H54B H 0.6950 0.0828 -0.0043 0.077 Uiso 1 1 calc GR . . . .
H54C H 0.6456 0.1219 0.0356 0.077 Uiso 1 1 calc GR . . . .
C55 C 0.5587(8) 0.2102(6) 0.3399(4) 0.035(3) Uani 1 1 d . . . . .
C56 C 0.6527(8) 0.2117(6) 0.3740(5) 0.038(3) Uani 1 1 d . . . . .
C57 C 0.6773(8) 0.2547(6) 0.4207(5) 0.047(3) Uani 1 1 d . . . . .
H57 H 0.7397 0.2557 0.4425 0.056 Uiso 1 1 calc R . . . .
C58 C 0.6152(9) 0.2962(7) 0.4369(5) 0.047(3) Uani 1 1 d . . . . .
C59 C 0.5243(9) 0.2950(6) 0.4026(5) 0.051(3) Uani 1 1 d . . . . .
H59 H 0.4812 0.3236 0.4125 0.062 Uiso 1 1 calc R . . . .
C60 C 0.4921(8) 0.2534(6) 0.3534(5) 0.037(3) Uani 1 1 d . . . . .
C61 C 0.7304(8) 0.1698(7) 0.3624(6) 0.070(5) Uani 1 1 d . . . . .
H61A H 0.7292 0.1238 0.3771 0.105 Uiso 1 1 calc GR . . . .
H61B H 0.7895 0.1910 0.3811 0.105 Uiso 1 1 calc GR . . . .
H61C H 0.7221 0.1678 0.3217 0.105 Uiso 1 1 calc GR . . . .
C62 C 0.6465(10) 0.3423(7) 0.4896(5) 0.067(4) Uani 1 1 d . . . . .
H62A H 0.6854 0.3162 0.5211 0.101 Uiso 1 1 calc GR . . . .
H62B H 0.5926 0.3590 0.4997 0.101 Uiso 1 1 calc GR . . . .
H62C H 0.6814 0.3807 0.4813 0.101 Uiso 1 1 calc GR . . . .
C63 C 0.3911(8) 0.2565(7) 0.3176(5) 0.053(4) Uani 1 1 d . . . . .
H63A H 0.3878 0.2734 0.2799 0.080 Uiso 1 1 calc GR . . . .
H63B H 0.3570 0.2870 0.3356 0.080 Uiso 1 1 calc GR . . . .
H63C H 0.3642 0.2110 0.3146 0.080 Uiso 1 1 calc GR . . . .
C65 C 0.9226(16) 0.0551(14) 0.4499(13) 0.114(10) Uani 0.56(2) 1 d . U P A 1
H65 H 0.8676 0.0719 0.4560 0.137 Uiso 0.56(2) 1 calc R . P A 1
C64 C 1.006(2) 0.0566(13) 0.4943(9) 0.118(10) Uani 0.56(2) 1 d G U P A 1
H64 H 1.0064 0.0745 0.5300 0.142 Uiso 0.56(2) 1 calc R . P A 1
C69 C 1.0878(16) 0.0315(14) 0.4853(10) 0.098(10) Uani 0.56(2) 1 d G U P A 1
C68 C 1.0868(16) 0.0048(14) 0.4319(12) 0.118(10) Uani 0.56(2) 1 d G U P A 1
H68 H 1.1417 -0.0120 0.4259 0.142 Uiso 0.56(2) 1 calc R . P A 1
C67 C 1.004(2) 0.0032(13) 0.3876(9) 0.109(10) Uani 0.56(2) 1 d G U P A 1
H67 H 1.0030 -0.0147 0.3519 0.131 Uiso 0.56(2) 1 calc R . P A 1
C66 C 0.9215(15) 0.0283(14) 0.3966(10) 0.105(9) Uani 0.56(2) 1 d G U P A 1
H66 H 0.8659 0.0273 0.3669 0.125 Uiso 0.56(2) 1 calc R . P A 1
C65A C 1.058(2) 0.0421(17) 0.5361(11) 0.110(10) Uani 0.44(2) 1 d . U P A 2
H65A H 1.0999 0.0447 0.5725 0.132 Uiso 0.44(2) 1 calc R . P A 2
C66A C 0.963(3) 0.0539(16) 0.5289(12) 0.109(10) Uani 0.44(2) 1 d G U P A 2
H66A H 0.9419 0.0643 0.5606 0.131 Uiso 0.44(2) 1 calc R . P A 2
C67A C 0.8994(18) 0.0500(18) 0.4745(15) 0.103(10) Uani 0.44(2) 1 d G U P A 2
H67A H 0.8361 0.0579 0.4697 0.123 Uiso 0.44(2) 1 calc R . P A 2
C68A C 0.931(2) 0.0344(17) 0.4271(11) 0.101(10) Uani 0.44(2) 1 d G U P A 2
H68A H 0.8883 0.0318 0.3907 0.121 Uiso 0.44(2) 1 calc R . P A 2
C69A C 1.025(2) 0.0227(16) 0.4342(12) 0.101(9) Uani 0.44(2) 1 d G U P A 2
C64A C 1.0888(18) 0.0265(17) 0.4887(16) 0.102(10) Uani 0.44(2) 1 d G U P A 2
H64A H 1.1522 0.0186 0.4935 0.123 Uiso 0.44(2) 1 calc R . P A 2
C70A C 1.079(3) -0.007(2) 0.390(2) 0.116(12) Uani 0.44(2) 1 d . U P A 2
H70A H 1.0391 -0.0397 0.3643 0.174 Uiso 0.44(2) 1 calc GR . P A 2
H70B H 1.1359 -0.0288 0.4104 0.174 Uiso 0.44(2) 1 calc GR . P A 2
H70C H 1.0922 0.0308 0.3673 0.174 Uiso 0.44(2) 1 calc GR . P A 2
C70 C 1.168(2) 0.0298(17) 0.5325(16) 0.143(15) Uani 0.56(2) 1 d . U P A 1
H70D H 1.1700 0.0703 0.5557 0.215 Uiso 0.56(2) 1 calc GR . P A 1
H70E H 1.2230 0.0288 0.5191 0.215 Uiso 0.56(2) 1 calc GR . P A 1
H70F H 1.1671 -0.0108 0.5551 0.215 Uiso 0.56(2) 1 calc GR . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Sb1 3.1353(8) . ?
Dy1 Sb3 3.1191(8) . ?
Dy1 C1 2.642(10) . ?
Dy1 C2 2.631(10) . ?
Dy1 C3 2.634(9) . ?
Dy1 C4 2.661(11) . ?
Dy1 C5 2.663(11) . ?
Dy1 C7 2.595(10) . ?
Dy1 C8 2.588(11) . ?
Dy1 C9 2.633(11) . ?
Dy1 C10 2.645(11) . ?
Dy1 C11 2.620(10) . ?
Dy2 Sb1 3.1227(7) . ?
Dy2 Sb2 3.1376(9) . ?
Dy2 C13 2.617(11) . ?
Dy2 C14 2.618(10) . ?
Dy2 C15 2.629(11) . ?
Dy2 C16 2.661(11) . ?
Dy2 C17 2.632(12) . ?
Dy2 C19 2.583(12) . ?
Dy2 C20 2.599(12) . ?
Dy2 C21 2.628(12) . ?
Dy2 C22 2.637(12) . ?
Dy2 C23 2.603(10) . ?
Dy3 Sb2 3.1284(9) . ?
Dy3 Sb3 3.1344(8) . ?
Dy3 C25 2.615(11) . ?
Dy3 C26 2.614(10) . ?
Dy3 C27 2.610(10) . ?
Dy3 C28 2.654(10) . ?
Dy3 C29 2.647(11) . ?
Dy3 C31 2.598(13) . ?
Dy3 C32 2.604(12) . ?
Dy3 C33 2.632(12) . ?
Dy3 C34 2.621(12) . ?
Dy3 C35 2.636(13) . ?
Sb1 Sb4 2.8686(10) . ?
Sb1 C37 2.199(10) . ?
Sb2 Sb4 2.8611(9) . ?
Sb2 C46 2.193(9) . ?
Sb3 Sb4 2.8584(10) . ?
Sb3 C55 2.201(10) . ?
C1 H1 0.9300 . ?
C1 C2 1.439(15) . ?
C1 C5 1.414(16) . ?
C2 H2 0.9300 . ?
C2 C3 1.399(14) . ?
C3 H3 0.9300 . ?
C3 C4 1.439(14) . ?
C4 H4 0.9300 . ?
C4 C5 1.399(14) . ?
C5 C6 1.520(15) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.372(16) . ?
C7 C11 1.417(15) . ?
C8 H8 0.9300 . ?
C8 C9 1.398(17) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(17) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(17) . ?
C11 C12 1.516(16) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C14 1.389(17) . ?
C13 C17 1.406(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.427(15) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(15) . ?
C17 C18 1.476(18) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C20 1.375(17) . ?
C19 C23 1.378(16) . ?
C20 H20 0.9300 . ?
C20 C21 1.381(19) . ?
C21 H21 0.9300 . ?
C21 C22 1.405(18) . ?
C22 H22 0.9300 . ?
C22 C23 1.426(17) . ?
C23 C24 1.511(16) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C25 C26 1.368(15) . ?
C25 C29 1.415(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.389(14) . ?
C27 H27 0.9300 . ?
C27 C28 1.413(14) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(15) . ?
C29 C30 1.549(15) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.39(2) . ?
C31 C35 1.387(19) . ?
C32 H32 0.9300 . ?
C32 C33 1.390(18) . ?
C33 H33 0.9300 . ?
C33 C34 1.383(17) . ?
C34 H34 0.9300 . ?
C34 C35 1.394(19) . ?
C35 C36 1.49(2) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.412(14) . ?
C37 C42 1.388(13) . ?
C38 C39 1.387(14) . ?
C38 C43 1.501(14) . ?
C39 H39 0.9300 . ?
C39 C40 1.362(14) . ?
C40 C41 1.393(14) . ?
C40 C44 1.491(13) . ?
C41 H41 0.9300 . ?
C41 C42 1.405(13) . ?
C42 C45 1.509(14) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.399(14) . ?
C46 C51 1.392(13) . ?
C47 C48 1.401(14) . ?
C47 C52 1.521(16) . ?
C48 H48 0.9300 . ?
C48 C49 1.367(16) . ?
C49 C50 1.371(17) . ?
C49 C53 1.477(17) . ?
C50 H50 0.9300 . ?
C50 C51 1.390(15) . ?
C51 C54 1.507(15) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.409(15) . ?
C55 C60 1.404(14) . ?
C56 C57 1.368(15) . ?
C56 C61 1.503(16) . ?
C57 H57 0.9300 . ?
C57 C58 1.366(16) . ?
C58 C59 1.373(16) . ?
C58 C62 1.517(15) . ?
C59 H59 0.9300 . ?
C59 C60 1.405(15) . ?
C60 C63 1.508(15) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C65 H65 0.9300 . ?
C65 C64 1.3900 . ?
C65 C66 1.3900 . ?
C64 H64 0.9300 . ?
C64 C69 1.3900 . ?
C69 C68 1.3900 . ?
C69 C70 1.40(4) . ?
C68 H68 0.9300 . ?
C68 C67 1.3900 . ?
C67 H67 0.9300 . ?
C67 C66 1.3900 . ?
C66 H66 0.9300 . ?
C65A H65A 0.9300 . ?
C65A C66A 1.3900 . ?
C65A C64A 1.3900 . ?
C66A H66A 0.9300 . ?
C66A C67A 1.3900 . ?
C67A H67A 0.9300 . ?
C67A C68A 1.3900 . ?
C68A H68A 0.9300 . ?
C68A C69A 1.3900 . ?
C69A C64A 1.3900 . ?
C69A C70A 1.62(5) . ?
C64A H64A 0.9300 . ?
C70A H70A 0.9600 . ?
C70A H70B 0.9600 . ?
C70A H70C 0.9600 . ?
C70 H70D 0.9600 . ?
C70 H70E 0.9600 . ?
C70 H70F 0.9600 . ?

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
Sb3 Dy1 Sb1 89.15(2) . . ?
C1 Dy1 Sb1 116.2(3) . . ?
C1 Dy1 Sb3 129.8(3) . . ?
C1 Dy1 C4 50.8(3) . . ?
C1 Dy1 C5 30.9(3) . . ?
C1 Dy1 C10 116.8(4) . . ?
C2 Dy1 Sb1 86.8(2) . . ?
C2 Dy1 Sb3 122.8(2) . . ?
C2 Dy1 C1 31.7(3) . . ?
C2 Dy1 C3 30.8(3) . . ?
C2 Dy1 C4 51.5(3) . . ?
C2 Dy1 C5 51.8(3) . . ?
C2 Dy1 C9 154.1(4) . . ?
C2 Dy1 C10 126.3(4) . . ?
C3 Dy1 Sb1 85.9(2) . . ?
C3 Dy1 Sb3 92.0(2) . . ?
C3 Dy1 C1 51.4(3) . . ?
C3 Dy1 C4 31.5(3) . . ?
C3 Dy1 C5 51.5(3) . . ?
C3 Dy1 C10 154.8(4) . . ?
C4 Dy1 Sb1 114.5(2) . . ?
C4 Dy1 Sb3 79.7(2) . . ?
C4 Dy1 C5 30.5(3) . . ?
C5 Dy1 Sb1 136.1(2) . . ?
C5 Dy1 Sb3 101.0(3) . . ?
C7 Dy1 Sb1 129.2(3) . . ?
C7 Dy1 Sb3 117.5(3) . . ?
C7 Dy1 C1 80.4(4) . . ?
C7 Dy1 C2 108.5(4) . . ?
C7 Dy1 C3 130.9(4) . . ?
C7 Dy1 C4 112.4(4) . . ?
C7 Dy1 C5 83.3(4) . . ?
C7 Dy1 C9 50.9(4) . . ?
C7 Dy1 C10 50.6(4) . . ?
C7 Dy1 C11 31.5(3) . . ?
C8 Dy1 Sb1 126.8(3) . . ?
C8 Dy1 Sb3 87.8(3) . . ?
C8 Dy1 C1 105.8(4) . . ?
C8 Dy1 C2 136.9(4) . . ?
C8 Dy1 C3 147.3(4) . . ?
C8 Dy1 C4 117.1(4) . . ?
C8 Dy1 C5 96.5(4) . . ?
C8 Dy1 C7 30.7(4) . . ?
C8 Dy1 C9 31.0(4) . . ?
C8 Dy1 C10 50.6(4) . . ?
C8 Dy1 C11 51.6(4) . . ?
C9 Dy1 Sb1 95.9(3) . . ?
C9 Dy1 Sb3 83.1(3) . . ?
C9 Dy1 C1 131.2(4) . . ?
C9 Dy1 C3 174.7(4) . . ?
C9 Dy1 C4 144.5(4) . . ?
C9 Dy1 C5 127.5(4) . . ?
C9 Dy1 C10 30.4(4) . . ?
C10 Dy1 Sb1 81.0(3) . . ?
C10 Dy1 Sb3 109.1(3) . . ?
C10 Dy1 C4 162.8(3) . . ?
C10 Dy1 C5 132.6(4) . . ?
C11 Dy1 Sb1 98.7(3) . . ?
C11 Dy1 Sb3 134.0(3) . . ?
C11 Dy1 C1 86.6(4) . . ?
C11 Dy1 C2 102.9(3) . . ?
C11 Dy1 C3 133.5(3) . . ?
C11 Dy1 C4 133.9(3) . . ?
C11 Dy1 C5 103.8(4) . . ?
C11 Dy1 C9 51.2(4) . . ?
C11 Dy1 C10 30.6(4) . . ?
Sb1 Dy2 Sb2 88.17(2) . . ?
C13 Dy2 Sb1 130.1(3) . . ?
C13 Dy2 Sb2 115.9(3) . . ?
C13 Dy2 C14 30.8(4) . . ?
C13 Dy2 C15 51.3(3) . . ?
C13 Dy2 C16 51.0(3) . . ?
C13 Dy2 C17 31.1(4) . . ?
C13 Dy2 C21 128.7(4) . . ?
C13 Dy2 C22 119.1(4) . . ?
C14 Dy2 Sb1 122.8(2) . . ?
C14 Dy2 Sb2 87.3(3) . . ?
C14 Dy2 C15 30.7(3) . . ?
C14 Dy2 C16 50.8(4) . . ?
C14 Dy2 C17 50.5(4) . . ?
C14 Dy2 C21 152.5(4) . . ?
C14 Dy2 C22 127.6(4) . . ?
C15 Dy2 Sb1 92.1(2) . . ?
C15 Dy2 Sb2 85.0(3) . . ?
C15 Dy2 C16 31.3(3) . . ?
C15 Dy2 C17 50.8(4) . . ?
C15 Dy2 C22 154.7(4) . . ?
C16 Dy2 Sb1 79.8(2) . . ?
C16 Dy2 Sb2 113.1(3) . . ?
C17 Dy2 Sb1 101.0(3) . . ?
C17 Dy2 Sb2 134.8(3) . . ?
C17 Dy2 C16 30.1(3) . . ?
C17 Dy2 C22 136.0(4) . . ?
C19 Dy2 Sb1 124.2(3) . . ?
C19 Dy2 Sb2 125.3(3) . . ?
C19 Dy2 C13 78.2(4) . . ?
C19 Dy2 C14 104.0(4) . . ?
C19 Dy2 C15 129.4(4) . . ?
C19 Dy2 C16 115.2(4) . . ?
C19 Dy2 C17 85.5(4) . . ?
C19 Dy2 C20 30.8(4) . . ?
C19 Dy2 C21 50.7(4) . . ?
C19 Dy2 C22 50.8(4) . . ?
C19 Dy2 C23 30.8(4) . . ?
C20 Dy2 Sb1 93.7(3) . . ?
C20 Dy2 Sb2 128.8(4) . . ?
C20 Dy2 C13 101.4(5) . . ?
C20 Dy2 C14 131.2(5) . . ?
C20 Dy2 C15 145.9(4) . . ?
C20 Dy2 C16 117.6(4) . . ?
C20 Dy2 C17 95.1(5) . . ?
C20 Dy2 C21 30.6(4) . . ?
C20 Dy2 C22 51.0(4) . . ?
C20 Dy2 C23 51.5(4) . . ?
C21 Dy2 Sb1 84.3(3) . . ?
C21 Dy2 Sb2 99.3(4) . . ?
C21 Dy2 C15 174.3(4) . . ?
C21 Dy2 C16 143.2(4) . . ?
C21 Dy2 C17 125.5(4) . . ?
C21 Dy2 C22 31.0(4) . . ?
C22 Dy2 Sb1 107.4(3) . . ?
C22 Dy2 Sb2 79.7(3) . . ?
C22 Dy2 C16 165.9(4) . . ?
C23 Dy2 Sb1 135.9(3) . . ?
C23 Dy2 Sb2 94.7(3) . . ?
C23 Dy2 C13 87.5(4) . . ?
C23 Dy2 C14 101.3(4) . . ?
C23 Dy2 C15 132.0(4) . . ?
C23 Dy2 C16 136.7(4) . . ?
C23 Dy2 C17 107.4(4) . . ?
C23 Dy2 C21 51.8(4) . . ?
C23 Dy2 C22 31.6(4) . . ?
Sb2 Dy3 Sb3 85.32(2) . . ?
C25 Dy3 Sb2 129.1(3) . . ?
C25 Dy3 Sb3 115.8(3) . . ?
C25 Dy3 C28 50.5(3) . . ?
C25 Dy3 C29 31.2(3) . . ?
C25 Dy3 C33 129.8(4) . . ?
C25 Dy3 C34 118.8(4) . . ?
C25 Dy3 C35 88.1(4) . . ?
C26 Dy3 Sb2 120.5(3) . . ?
C26 Dy3 Sb3 87.3(3) . . ?
C26 Dy3 C25 30.3(3) . . ?
C26 Dy3 C28 50.9(3) . . ?
C26 Dy3 C29 51.0(3) . . ?
C26 Dy3 C33 152.9(4) . . ?
C26 Dy3 C34 127.4(4) . . ?
C26 Dy3 C35 101.9(4) . . ?
C27 Dy3 Sb2 89.7(2) . . ?
C27 Dy3 Sb3 85.1(2) . . ?
C27 Dy3 C25 50.6(3) . . ?
C27 Dy3 C26 30.8(3) . . ?
C27 Dy3 C28 31.1(3) . . ?
C27 Dy3 C29 50.9(3) . . ?
C27 Dy3 C33 174.2(4) . . ?
C27 Dy3 C34 155.2(4) . . ?
C27 Dy3 C35 132.8(4) . . ?
C28 Dy3 Sb2 78.8(2) . . ?
C28 Dy3 Sb3 112.9(2) . . ?
C29 Dy3 Sb2 101.0(3) . . ?
C29 Dy3 Sb3 135.1(2) . . ?
C29 Dy3 C28 30.2(3) . . ?
C31 Dy3 Sb2 125.9(4) . . ?
C31 Dy3 Sb3 126.9(4) . . ?
C31 Dy3 C25 79.3(4) . . ?
C31 Dy3 C26 104.9(4) . . ?
C31 Dy3 C27 129.8(4) . . ?
C31 Dy3 C28 114.6(4) . . ?
C31 Dy3 C29 85.0(4) . . ?
C31 Dy3 C32 31.0(4) . . ?
C31 Dy3 C33 50.6(5) . . ?
C31 Dy3 C34 50.0(4) . . ?
C31 Dy3 C35 30.7(4) . . ?
C32 Dy3 Sb2 95.2(4) . . ?
C32 Dy3 Sb3 129.0(3) . . ?
C32 Dy3 C25 103.0(5) . . ?
C32 Dy3 C26 132.4(5) . . ?
C32 Dy3 C27 145.8(4) . . ?
C32 Dy3 C28 117.2(4) . . ?
C32 Dy3 C29 95.0(4) . . ?
C32 Dy3 C33 30.8(4) . . ?
C32 Dy3 C34 50.6(4) . . ?
C32 Dy3 C35 51.6(5) . . ?
C33 Dy3 Sb2 86.5(3) . . ?
C33 Dy3 Sb3 98.9(3) . . ?
C33 Dy3 C28 143.4(4) . . ?
C33 Dy3 C29 125.7(4) . . ?
C33 Dy3 C35 51.3(4) . . ?
C34 Dy3 Sb2 109.5(3) . . ?
C34 Dy3 Sb3 81.2(3) . . ?
C34 Dy3 C28 164.7(4) . . ?
C34 Dy3 C29 134.7(4) . . ?
C34 Dy3 C33 30.5(4) . . ?
C34 Dy3 C35 30.8(4) . . ?
C35 Dy3 Sb2 137.6(3) . . ?
C35 Dy3 Sb3 96.5(4) . . ?
C35 Dy3 C28 136.3(4) . . ?
C35 Dy3 C29 106.8(5) . . ?
Dy2 Sb1 Dy1 132.03(3) . . ?
Sb4 Sb1 Dy1 82.62(2) . . ?
Sb4 Sb1 Dy2 83.82(2) . . ?
C37 Sb1 Dy1 113.3(2) . . ?
C37 Sb1 Dy2 114.7(2) . . ?
C37 Sb1 Sb4 109.0(3) . . ?
Dy3 Sb2 Dy2 136.96(3) . . ?
Sb4 Sb2 Dy2 83.67(2) . . ?
Sb4 Sb2 Dy3 86.74(3) . . ?
C46 Sb2 Dy2 113.4(3) . . ?
C46 Sb2 Dy3 109.4(3) . . ?
C46 Sb2 Sb4 109.5(3) . . ?
Dy1 Sb3 Dy3 135.41(3) . . ?
Sb4 Sb3 Dy1 83.08(2) . . ?
Sb4 Sb3 Dy3 86.67(2) . . ?
C55 Sb3 Dy1 109.4(3) . . ?
C55 Sb3 Dy3 115.1(3) . . ?
C55 Sb3 Sb4 107.3(3) . . ?
Sb2 Sb4 Sb1 98.95(3) . . ?
Sb3 Sb4 Sb1 100.08(3) . . ?
Sb3 Sb4 Sb2 95.81(3) . . ?
Dy1 C1 H1 117.0 . . ?
C2 C1 Dy1 73.7(6) . . ?
C2 C1 H1 125.9 . . ?
C5 C1 Dy1 75.4(6) . . ?
C5 C1 H1 125.9 . . ?
C5 C1 C2 108.3(9) . . ?
Dy1 C2 H2 116.6 . . ?
C1 C2 Dy1 74.6(6) . . ?
C1 C2 H2 126.3 . . ?
C3 C2 Dy1 74.7(6) . . ?
C3 C2 C1 107.4(10) . . ?
C3 C2 H2 126.3 . . ?
Dy1 C3 H3 116.4 . . ?
C2 C3 Dy1 74.5(6) . . ?
C2 C3 H3 126.0 . . ?
C2 C3 C4 108.1(9) . . ?
C4 C3 Dy1 75.3(6) . . ?
C4 C3 H3 126.0 . . ?
Dy1 C4 H4 118.0 . . ?
C3 C4 Dy1 73.2(6) . . ?
C3 C4 H4 125.9 . . ?
C5 C4 Dy1 74.8(7) . . ?
C5 C4 C3 108.3(10) . . ?
C5 C4 H4 125.9 . . ?
C1 C5 Dy1 73.7(6) . . ?
C1 C5 C6 126.0(10) . . ?
C4 C5 Dy1 74.7(6) . . ?
C4 C5 C1 108.0(10) . . ?
C4 C5 C6 125.8(11) . . ?
C6 C5 Dy1 121.5(7) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Dy1 C7 H7 116.8 . . ?
C8 C7 Dy1 74.4(6) . . ?
C8 C7 H7 125.7 . . ?
C8 C7 C11 108.7(11) . . ?
C11 C7 Dy1 75.2(6) . . ?
C11 C7 H7 125.7 . . ?
Dy1 C8 H8 115.2 . . ?
C7 C8 Dy1 74.9(7) . . ?
C7 C8 H8 125.8 . . ?
C7 C8 C9 108.5(12) . . ?
C9 C8 Dy1 76.3(7) . . ?
C9 C8 H8 125.8 . . ?
Dy1 C9 H9 117.7 . . ?
C8 C9 Dy1 72.7(7) . . ?
C8 C9 H9 126.5 . . ?
C10 C9 Dy1 75.2(7) . . ?
C10 C9 C8 107.0(11) . . ?
C10 C9 H9 126.5 . . ?
Dy1 C10 H10 118.6 . . ?
C9 C10 Dy1 74.3(7) . . ?
C9 C10 H10 125.0 . . ?
C9 C10 C11 109.9(12) . . ?
C11 C10 Dy1 73.7(6) . . ?
C11 C10 H10 125.0 . . ?
C7 C11 Dy1 73.3(6) . . ?
C7 C11 C12 126.7(12) . . ?
C10 C11 Dy1 75.7(7) . . ?
C10 C11 C7 105.9(11) . . ?
C10 C11 C12 127.4(13) . . ?
C12 C11 Dy1 118.6(7) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Dy2 C13 H13 115.9 . . ?
C14 C13 Dy2 74.6(6) . . ?
C14 C13 H13 126.8 . . ?
C14 C13 C17 106.5(10) . . ?
C17 C13 Dy2 75.1(7) . . ?
C17 C13 H13 126.8 . . ?
Dy2 C14 H14 117.0 . . ?
C13 C14 Dy2 74.6(7) . . ?
C13 C14 H14 125.1 . . ?
C15 C14 Dy2 75.1(6) . . ?
C15 C14 C13 109.7(11) . . ?
C15 C14 H14 125.1 . . ?
Dy2 C15 H15 116.0 . . ?
C14 C15 Dy2 74.2(7) . . ?
C14 C15 H15 126.5 . . ?
C14 C15 C16 106.9(11) . . ?
C16 C15 Dy2 75.6(6) . . ?
C16 C15 H15 126.5 . . ?
Dy2 C16 H16 118.7 . . ?
C15 C16 Dy2 73.1(6) . . ?
C15 C16 H16 126.4 . . ?
C17 C16 Dy2 73.8(7) . . ?
C17 C16 C15 107.2(10) . . ?
C17 C16 H16 126.4 . . ?
C13 C17 Dy2 73.9(7) . . ?
C13 C17 C18 121.2(12) . . ?
C16 C17 Dy2 76.1(7) . . ?
C16 C17 C13 109.6(12) . . ?
C16 C17 C18 129.0(13) . . ?
C18 C17 Dy2 120.4(10) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Dy2 C19 H19 116.3 . . ?
C20 C19 Dy2 75.3(7) . . ?
C20 C19 H19 124.8 . . ?
C20 C19 C23 110.4(13) . . ?
C23 C19 Dy2 75.4(7) . . ?
C23 C19 H19 124.8 . . ?
Dy2 C20 H20 116.3 . . ?
C19 C20 Dy2 74.0(7) . . ?
C19 C20 H20 126.0 . . ?
C19 C20 C21 108.0(13) . . ?
C21 C20 Dy2 75.8(8) . . ?
C21 C20 H20 126.0 . . ?
Dy2 C21 H21 117.5 . . ?
C20 C21 Dy2 73.5(8) . . ?
C20 C21 H21 126.0 . . ?
C20 C21 C22 107.9(13) . . ?
C22 C21 Dy2 74.9(7) . . ?
C22 C21 H21 126.0 . . ?
Dy2 C22 H22 118.7 . . ?
C21 C22 Dy2 74.1(7) . . ?
C21 C22 H22 126.2 . . ?
C21 C22 C23 107.6(12) . . ?
C23 C22 Dy2 72.9(7) . . ?
C23 C22 H22 126.2 . . ?
C19 C23 Dy2 73.8(7) . . ?
C19 C23 C22 106.0(11) . . ?
C19 C23 C24 127.2(13) . . ?
C22 C23 Dy2 75.5(6) . . ?
C22 C23 C24 126.8(13) . . ?
C24 C23 Dy2 116.8(8) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Dy3 C25 H25 116.0 . . ?
C26 C25 Dy3 74.8(6) . . ?
C26 C25 H25 125.5 . . ?
C26 C25 C29 108.9(10) . . ?
C29 C25 Dy3 75.7(6) . . ?
C29 C25 H25 125.5 . . ?
Dy3 C26 H26 116.9 . . ?
C25 C26 Dy3 74.9(6) . . ?
C25 C26 H26 125.9 . . ?
C25 C26 C27 108.2(10) . . ?
C27 C26 Dy3 74.4(6) . . ?
C27 C26 H26 125.9 . . ?
Dy3 C27 H27 115.2 . . ?
C26 C27 Dy3 74.7(6) . . ?
C26 C27 H27 126.1 . . ?
C26 C27 C28 107.8(10) . . ?
C28 C27 Dy3 76.1(6) . . ?
C28 C27 H27 126.1 . . ?
Dy3 C28 H28 118.6 . . ?
C27 C28 Dy3 72.7(6) . . ?
C27 C28 H28 126.0 . . ?
C29 C28 Dy3 74.6(6) . . ?
C29 C28 C27 108.0(10) . . ?
C29 C28 H28 126.0 . . ?
C25 C29 Dy3 73.1(6) . . ?
C25 C29 C30 125.6(11) . . ?
C28 C29 Dy3 75.2(6) . . ?
C28 C29 C25 107.1(10) . . ?
C28 C29 C30 127.3(12) . . ?
C30 C29 Dy3 120.3(7) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Dy3 C31 H31 116.1 . . ?
C32 C31 Dy3 74.8(8) . . ?
C32 C31 H31 124.8 . . ?
C35 C31 Dy3 76.2(8) . . ?
C35 C31 H31 124.8 . . ?
C35 C31 C32 110.4(14) . . ?
Dy3 C32 H32 115.8 . . ?
C31 C32 Dy3 74.2(8) . . ?
C31 C32 H32 126.5 . . ?
C31 C32 C33 107.0(14) . . ?
C33 C32 Dy3 75.7(7) . . ?
C33 C32 H32 126.5 . . ?
Dy3 C33 H33 117.9 . . ?
C32 C33 Dy3 73.5(7) . . ?
C32 C33 H33 126.4 . . ?
C34 C33 Dy3 74.3(7) . . ?
C34 C33 C32 107.3(13) . . ?
C34 C33 H33 126.4 . . ?
Dy3 C34 H34 116.6 . . ?
C33 C34 Dy3 75.2(7) . . ?
C33 C34 H34 124.8 . . ?
C33 C34 C35 110.3(13) . . ?
C35 C34 Dy3 75.2(8) . . ?
C35 C34 H34 124.8 . . ?
C31 C35 Dy3 73.1(8) . . ?
C31 C35 C34 105.1(14) . . ?
C31 C35 C36 127.6(17) . . ?
C34 C35 Dy3 74.0(8) . . ?
C34 C35 C36 127.3(17) . . ?
C36 C35 Dy3 116.6(9) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Sb1 113.5(8) . . ?
C42 C37 Sb1 127.6(8) . . ?
C42 C37 C38 118.8(9) . . ?
C37 C38 C43 122.7(10) . . ?
C39 C38 C37 119.0(10) . . ?
C39 C38 C43 118.3(10) . . ?
C38 C39 H39 117.8 . . ?
C40 C39 C38 124.4(10) . . ?
C40 C39 H39 117.8 . . ?
C39 C40 C41 115.6(10) . . ?
C39 C40 C44 124.6(11) . . ?
C41 C40 C44 119.9(10) . . ?
C40 C41 H41 118.3 . . ?
C40 C41 C42 123.3(10) . . ?
C42 C41 H41 118.3 . . ?
C37 C42 C41 118.9(10) . . ?
C37 C42 C45 124.7(10) . . ?
C41 C42 C45 116.4(10) . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 Sb2 127.3(7) . . ?
C51 C46 Sb2 113.6(8) . . ?
C51 C46 C47 119.2(9) . . ?
C46 C47 C48 119.8(10) . . ?
C46 C47 C52 124.0(10) . . ?
C48 C47 C52 116.2(10) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 C47 121.6(12) . . ?
C49 C48 H48 119.2 . . ?
C48 C49 C50 117.3(11) . . ?
C48 C49 C53 120.0(13) . . ?
C50 C49 C53 122.7(13) . . ?
C49 C50 H50 118.1 . . ?
C49 C50 C51 123.8(12) . . ?
C51 C50 H50 118.1 . . ?
C46 C51 C54 122.2(10) . . ?
C50 C51 C46 118.3(11) . . ?
C50 C51 C54 119.5(10) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Sb3 126.8(8) . . ?
C60 C55 Sb3 113.1(8) . . ?
C60 C55 C56 120.1(10) . . ?
C55 C56 C61 124.7(10) . . ?
C57 C56 C55 119.0(11) . . ?
C57 C56 C61 116.3(10) . . ?
C56 C57 H57 118.2 . . ?
C58 C57 C56 123.6(11) . . ?
C58 C57 H57 118.2 . . ?
C57 C58 C59 116.5(11) . . ?
C57 C58 C62 121.1(12) . . ?
C59 C58 C62 122.4(12) . . ?
C58 C59 H59 117.8 . . ?
C58 C59 C60 124.4(11) . . ?
C60 C59 H59 117.8 . . ?
C55 C60 C59 116.4(11) . . ?
C55 C60 C63 123.0(10) . . ?
C59 C60 C63 120.6(10) . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C58 C62 H62A 109.5 . . ?
C58 C62 H62B 109.5 . . ?
C58 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C69 C64 C65 120.0 . . ?
C69 C64 H64 120.0 . . ?
C64 C69 C68 120.0 . . ?
C64 C69 C70 118(3) . . ?
C68 C69 C70 122(3) . . ?
C69 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C66 C67 H67 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C66A C65A H65A 120.0 . . ?
C66A C65A C64A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C65A C66A H66A 120.0 . . ?
C65A C66A C67A 120.0 . . ?
C67A C66A H66A 120.0 . . ?
C66A C67A H67A 120.0 . . ?
C68A C67A C66A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C67A C68A C69A 120.0 . . ?
C69A C68A H68A 120.0 . . ?
C68A C69A C70A 130(3) . . ?
C64A C69A C68A 120.0 . . ?
C64A C69A C70A 109(3) . . ?
C65A C64A H64A 120.0 . . ?
C69A C64A C65A 120.0 . . ?
C69A C64A H64A 120.0 . . ?
C69A C70A H70A 109.5 . . ?
C69A C70A H70B 109.5 . . ?
C69A C70A H70C 109.5 . . ?
H70A C70A H70B 109.5 . . ?
H70A C70A H70C 109.5 . . ?
H70B C70A H70C 109.5 . . ?
C69 C70 H70D 109.5 . . ?
C69 C70 H70E 109.5 . . ?
C69 C70 H70F 109.5 . . ?
H70D C70 H70E 109.5 . . ?
H70D C70 H70F 109.5 . . ?
H70E C70 H70F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 C1 C2 C3 -68.1(7) . . . . ?
Dy1 C1 C5 C4 67.4(8) . . . . ?
Dy1 C1 C5 C6 -117.4(11) . . . . ?
Dy1 C2 C3 C4 -68.4(7) . . . . ?
Dy1 C3 C4 C5 -67.2(8) . . . . ?
Dy1 C4 C5 C1 -66.8(8) . . . . ?
Dy1 C4 C5 C6 118.0(11) . . . . ?
Dy1 C7 C8 C9 -69.6(8) . . . . ?
Dy1 C7 C11 C10 69.3(7) . . . . ?
Dy1 C7 C11 C12 -113.6(11) . . . . ?
Dy1 C8 C9 C10 -68.0(8) . . . . ?
Dy1 C9 C10 C11 -65.7(8) . . . . ?
Dy1 C10 C11 C7 -67.6(7) . . . . ?
Dy1 C10 C11 C12 115.3(11) . . . . ?
Dy2 C13 C14 C15 -67.5(8) . . . . ?
Dy2 C13 C17 C16 68.4(9) . . . . ?
Dy2 C13 C17 C18 -116.2(13) . . . . ?
Dy2 C14 C15 C16 -69.1(8) . . . . ?
Dy2 C15 C16 C17 -66.4(8) . . . . ?
Dy2 C16 C17 C13 -66.9(9) . . . . ?
Dy2 C16 C17 C18 118.0(15) . . . . ?
Dy2 C19 C20 C21 -68.8(9) . . . . ?
Dy2 C19 C23 C22 69.3(8) . . . . ?
Dy2 C19 C23 C24 -111.7(12) . . . . ?
Dy2 C20 C21 C22 -67.6(9) . . . . ?
Dy2 C21 C22 C23 -65.8(8) . . . . ?
Dy2 C22 C23 C19 -68.0(8) . . . . ?
Dy2 C22 C23 C24 112.9(11) . . . . ?
Dy3 C25 C26 C27 -67.6(8) . . . . ?
Dy3 C25 C29 C28 68.1(8) . . . . ?
Dy3 C25 C29 C30 -115.5(11) . . . . ?
Dy3 C26 C27 C28 -69.6(7) . . . . ?
Dy3 C27 C28 C29 -66.9(8) . . . . ?
Dy3 C28 C29 C25 -66.7(8) . . . . ?
Dy3 C28 C29 C30 117.0(11) . . . . ?
Dy3 C31 C32 C33 -69.2(9) . . . . ?
Dy3 C31 C35 C34 67.7(9) . . . . ?
Dy3 C31 C35 C36 -110.9(14) . . . . ?
Dy3 C32 C33 C34 -67.2(9) . . . . ?
Dy3 C33 C34 C35 -67.7(9) . . . . ?
Dy3 C34 C35 C31 -67.0(9) . . . . ?
Dy3 C34 C35 C36 111.5(14) . . . . ?
Sb1 C37 C38 C39 -177.6(7) . . . . ?
Sb1 C37 C38 C43 3.3(13) . . . . ?
Sb1 C37 C42 C41 178.6(7) . . . . ?
Sb1 C37 C42 C45 -1.3(15) . . . . ?
Sb2 C46 C47 C48 178.5(9) . . . . ?
Sb2 C46 C47 C52 -2.1(19) . . . . ?
Sb2 C46 C51 C50 -178.4(10) . . . . ?
Sb2 C46 C51 C54 1.9(14) . . . . ?
Sb3 C55 C56 C57 -178.7(8) . . . . ?
Sb3 C55 C56 C61 2.4(18) . . . . ?
Sb3 C55 C60 C59 178.0(8) . . . . ?
Sb3 C55 C60 C63 -2.4(14) . . . . ?
C1 C2 C3 Dy1 68.0(7) . . . . ?
C1 C2 C3 C4 -0.4(12) . . . . ?
C2 C1 C5 Dy1 -67.0(8) . . . . ?
C2 C1 C5 C4 0.4(12) . . . . ?
C2 C1 C5 C6 175.6(11) . . . . ?
C2 C3 C4 Dy1 67.8(7) . . . . ?
C2 C3 C4 C5 0.7(12) . . . . ?
C3 C4 C5 Dy1 66.1(7) . . . . ?
C3 C4 C5 C1 -0.7(12) . . . . ?
C3 C4 C5 C6 -175.9(10) . . . . ?
C5 C1 C2 Dy1 68.1(8) . . . . ?
C5 C1 C2 C3 0.0(12) . . . . ?
C7 C8 C9 Dy1 68.7(8) . . . . ?
C7 C8 C9 C10 0.7(13) . . . . ?
C8 C7 C11 Dy1 -67.4(8) . . . . ?
C8 C7 C11 C10 1.9(12) . . . . ?
C8 C7 C11 C12 179.0(10) . . . . ?
C8 C9 C10 Dy1 66.3(8) . . . . ?
C8 C9 C10 C11 0.5(13) . . . . ?
C9 C10 C11 Dy1 66.1(8) . . . . ?
C9 C10 C11 C7 -1.5(12) . . . . ?
C9 C10 C11 C12 -178.6(11) . . . . ?
C11 C7 C8 Dy1 68.0(8) . . . . ?
C11 C7 C8 C9 -1.6(13) . . . . ?
C13 C14 C15 Dy2 67.2(8) . . . . ?
C13 C14 C15 C16 -1.9(13) . . . . ?
C14 C13 C17 Dy2 -68.6(8) . . . . ?
C14 C13 C17 C16 -0.2(14) . . . . ?
C14 C13 C17 C18 175.3(12) . . . . ?
C14 C15 C16 Dy2 68.1(8) . . . . ?
C14 C15 C16 C17 1.7(13) . . . . ?
C15 C16 C17 Dy2 66.0(8) . . . . ?
C15 C16 C17 C13 -0.9(14) . . . . ?
C15 C16 C17 C18 -176.0(14) . . . . ?
C17 C13 C14 Dy2 68.9(8) . . . . ?
C17 C13 C14 C15 1.3(13) . . . . ?
C19 C20 C21 Dy2 67.6(9) . . . . ?
C19 C20 C21 C22 0.0(15) . . . . ?
C20 C19 C23 Dy2 -67.8(9) . . . . ?
C20 C19 C23 C22 1.4(14) . . . . ?
C20 C19 C23 C24 -179.5(11) . . . . ?
C20 C21 C22 Dy2 66.7(9) . . . . ?
C20 C21 C22 C23 0.9(14) . . . . ?
C21 C22 C23 Dy2 66.6(8) . . . . ?
C21 C22 C23 C19 -1.4(13) . . . . ?
C21 C22 C23 C24 179.5(11) . . . . ?
C23 C19 C20 Dy2 67.9(9) . . . . ?
C23 C19 C20 C21 -0.9(15) . . . . ?
C25 C26 C27 Dy3 67.8(8) . . . . ?
C25 C26 C27 C28 -1.8(12) . . . . ?
C26 C25 C29 Dy3 -68.1(8) . . . . ?
C26 C25 C29 C28 0.0(13) . . . . ?
C26 C25 C29 C30 176.4(11) . . . . ?
C26 C27 C28 Dy3 68.7(7) . . . . ?
C26 C27 C28 C29 1.8(12) . . . . ?
C27 C28 C29 Dy3 65.6(7) . . . . ?
C27 C28 C29 C25 -1.1(12) . . . . ?
C27 C28 C29 C30 -177.4(11) . . . . ?
C29 C25 C26 Dy3 68.6(8) . . . . ?
C29 C25 C26 C27 1.1(13) . . . . ?
C31 C32 C33 Dy3 68.2(9) . . . . ?
C31 C32 C33 C34 1.0(15) . . . . ?
C32 C31 C35 Dy3 -67.6(10) . . . . ?
C32 C31 C35 C34 0.0(16) . . . . ?
C32 C31 C35 C36 -178.5(13) . . . . ?
C32 C33 C34 Dy3 66.6(9) . . . . ?
C32 C33 C34 C35 -1.1(15) . . . . ?
C33 C34 C35 Dy3 67.7(9) . . . . ?
C33 C34 C35 C31 0.6(15) . . . . ?
C33 C34 C35 C36 179.2(13) . . . . ?
C35 C31 C32 Dy3 68.6(10) . . . . ?
C35 C31 C32 C33 -0.7(16) . . . . ?
C37 C38 C39 C40 -0.7(16) . . . . ?
C38 C37 C42 C41 0.5(15) . . . . ?
C38 C37 C42 C45 -179.4(10) . . . . ?
C38 C39 C40 C41 -0.5(15) . . . . ?
C38 C39 C40 C44 180.0(10) . . . . ?
C39 C40 C41 C42 1.8(15) . . . . ?
C40 C41 C42 C37 -1.8(16) . . . . ?
C40 C41 C42 C45 178.0(10) . . . . ?
C42 C37 C38 C39 0.7(14) . . . . ?
C42 C37 C38 C43 -178.3(10) . . . . ?
C43 C38 C39 C40 178.4(10) . . . . ?
C44 C40 C41 C42 -178.6(10) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C47 C46 C51 C50 0.7(18) . . . . ?
C47 C46 C51 C54 -179.0(11) . . . . ?
C47 C48 C49 C50 -2(2) . . . . ?
C47 C48 C49 C53 179.3(14) . . . . ?
C48 C49 C50 C51 2(2) . . . . ?
C49 C50 C51 C46 -2(2) . . . . ?
C49 C50 C51 C54 177.9(14) . . . . ?
C51 C46 C47 C48 -0.5(18) . . . . ?
C51 C46 C47 C52 178.8(12) . . . . ?
C52 C47 C48 C49 -178.1(14) . . . . ?
C53 C49 C50 C51 -179.1(15) . . . . ?
C55 C56 C57 C58 0.8(18) . . . . ?
C56 C55 C60 C59 -1.9(16) . . . . ?
C56 C55 C60 C63 177.7(11) . . . . ?
C56 C57 C58 C59 -2.0(19) . . . . ?
C56 C57 C58 C62 179.3(12) . . . . ?
C57 C58 C59 C60 1.2(19) . . . . ?
C58 C59 C60 C55 0.8(18) . . . . ?
C58 C59 C60 C63 -178.9(12) . . . . ?
C60 C55 C56 C57 1.2(17) . . . . ?
C60 C55 C56 C61 -177.7(11) . . . . ?
C61 C56 C57 C58 179.8(12) . . . . ?
C62 C58 C59 C60 179.8(12) . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C65 C64 C69 C70 -176(2) . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C64 C69 C68 C67 0.0 . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C68 C67 C66 C65 0.0 . . . . ?
C66 C65 C64 C69 0.0 . . . . ?
C65A C66A C67A C68A 0.0 . . . . ?
C66A C65A C64A C69A 0.0 . . . . ?
C66A C67A C68A C69A 0.0 . . . . ?
C67A C68A C69A C64A 0.0 . . . . ?
C67A C68A C69A C70A 170(3) . . . . ?
C68A C69A C64A C65A 0.0 . . . . ?
C64A C65A C66A C67A 0.0 . . . . ?
C70A C69A C64A C65A -172(2) . . . . ?
C70 C69 C68 C67 175(3) . . . . ?

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

data_aral294_rered_xprep
_database_code_depnum_ccdc_archive 'CCDC 1484572'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_aral294_rered_xprep 
;
PROBLEM: Check Calcd Residual Density  0.99A From     Sb1       3.59 eA-3
RESPONSE: The residual density located 0.99A From Sb1 is a result of a minor component of disorder. Attempts were made to solve the disorder, however, this made the overall structure solution worse.
;
# Added during the CSD deposition process: Friday 10 June 2016 02:14 PM
# end Validation Reply Form

_audit_creation_date             2016-04-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        1-Dy
_chemical_formula_moiety         
'C38.63 H45.88 Dy2 Sb1.63, C24.37 H29.12 Dy Sb1.37, C7 H8'
_chemical_formula_sum            'C70 H83 Dy3 Sb3'
_chemical_formula_weight         1777.11
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   15.1130(2)
_cell_length_b                   18.7437(2)
_cell_length_c                   24.0965(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.3390(10)
_cell_angle_gamma                90
_cell_volume                     6641.75(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    39107
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      28.2380
_cell_measurement_theta_min      3.7120
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.572
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3416
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            74897
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.346
_diffrn_reflns_theta_max         25.346
_diffrn_reflns_theta_min         3.394
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector_area_resol_mean 16.1428
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -88.00   12.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000 -120.0000 100

#__ type_ start__ end____ width___ exp.time_
  2 omega  -87.00    4.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -57.0000  150.0000 91

#__ type_ start__ end____ width___ exp.time_
  3 omega  -88.00   12.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000   60.0000 100

#__ type_ start__ end____ width___ exp.time_
  4 omega  -87.00    4.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -57.0000  -60.0000 91

#__ type_ start__ end____ width___ exp.time_
  5 omega  -50.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -57.0000   90.0000 90

#__ type_ start__ end____ width___ exp.time_
  6 omega  -50.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -57.0000 -180.0000 90

#__ type_ start__ end____ width___ exp.time_
  7 omega  -51.00   49.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -77.0000  -60.0000 100

#__ type_ start__ end____ width___ exp.time_
  8 omega  -20.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -99.0000   30.0000 81

#__ type_ start__ end____ width___ exp.time_
  9 omega  -20.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -99.0000 -150.0000 81

#__ type_ start__ end____ width___ exp.time_
 10 omega  -94.00  -35.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  -90.0000 59

#__ type_ start__ end____ width___ exp.time_
 11 omega  -39.00   51.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663   57.0000  -60.0000 90

#__ type_ start__ end____ width___ exp.time_
 12 omega  -54.00   -5.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038    0.0000 -180.0000 49

#__ type_ start__ end____ width___ exp.time_
 13 omega  -20.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -99.0000   60.0000 81

#__ type_ start__ end____ width___ exp.time_
 14 omega    2.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.0000 -125.0000  -32.5258 75

#__ type_ start__ end____ width___ exp.time_
 15 omega    6.00   82.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.0000 -132.0000  114.2750 76
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0274311000
_diffrn_orient_matrix_UB_12      0.0194972000
_diffrn_orient_matrix_UB_13      0.0228574000
_diffrn_orient_matrix_UB_21      0.0373900000
_diffrn_orient_matrix_UB_22      -0.0225595000
_diffrn_orient_matrix_UB_23      -0.0007538000
_diffrn_orient_matrix_UB_31      0.0132468000
_diffrn_orient_matrix_UB_32      0.0233174000
_diffrn_orient_matrix_UB_33      -0.0197968000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                11677
_reflns_number_total             12154
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.560
_refine_diff_density_min         -1.106
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 
;
 Flack x determined using 5477 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.027(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     853
_refine_ls_number_reflns         12154
_refine_ls_number_restraints     377
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0282
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0288P)²+23.4314P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0648
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C37, C38, C39, C40, C41, C42
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.02
 C46A, C47A, C48A, C49A, C50A, C51A, C52A, C53A, C54A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C49, C48, C47, C46, C51, C50, C52, C53, C54
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C58A, C59A, C60A, C55A, C56A, C57A, C61A, C62A, C63A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42: within 2A with sigma of
0.02 and sigma for terminal atoms of 0.04
C46A \\sim C47A \\sim C48A \\sim C49A \\sim C50A \\sim C51A \\sim C52A \\sim
C53A \\sim C54A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
C49 \\sim C48 \\sim C47 \\sim C46 \\sim C51 \\sim C50 \\sim C52 \\sim C53 \\sim
C54: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C58A \\sim C59A \\sim C60A \\sim C55A \\sim C56A \\sim C57A \\sim C61A \\sim
C62A \\sim C63A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
4. Rigid body (RIGU) restrains
 C55, C56, C57, C58, C59, C60, C61, C62, C63
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C36, C35, C31, C32, C33, C34
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
5. Others
 Sof(Sb3A)=Sof(C58A)=Sof(C59A)=Sof(H59A)=Sof(C60A)=Sof(C55A)=Sof(C56A)=
 Sof(C57A)=Sof(H57A)=Sof(C61A)=Sof(H61A)=Sof(H61B)=Sof(H61C)=Sof(C62A)=
 Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63A)=Sof(H63A)=Sof(H63B)=Sof(H63C)=1-FVAR(1)
 Sof(Sb3)=Sof(C55)=Sof(C56)=Sof(C57)=Sof(H57)=Sof(C58)=Sof(C59)=Sof(H59)=
 Sof(C60)=Sof(C61)=Sof(H61D)=Sof(H61E)=Sof(H61F)=Sof(C62)=Sof(H62D)=Sof(H62E)=
 Sof(H62F)=Sof(C63)=Sof(H63D)=Sof(H63E)=Sof(H63F)=FVAR(1)
 Sof(Sb2A)=Sof(C46A)=Sof(C47A)=Sof(C48A)=Sof(H48A)=Sof(C49A)=Sof(C50A)=
 Sof(H50A)=Sof(C51A)=Sof(C52A)=Sof(H52A)=Sof(H52B)=Sof(H52C)=Sof(C53A)=
 Sof(H53A)=Sof(H53B)=Sof(H53C)=Sof(C54A)=Sof(H54A)=Sof(H54B)=Sof(H54C)=1-FVAR(2)
 Sof(Sb2)=Sof(C49)=Sof(C48)=Sof(H48)=Sof(C47)=Sof(C46)=Sof(C51)=Sof(C50)=
 Sof(H50)=Sof(C52)=Sof(H52D)=Sof(H52E)=Sof(H52F)=Sof(C53)=Sof(H53D)=Sof(H53E)=
 Sof(H53F)=Sof(C54)=Sof(H54D)=Sof(H54E)=Sof(H54F)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C59A(H59A),
 C57A(H57A), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20),
 C21(H21), C22(H22), C39(H39), C41(H41), C48A(H48A), C50A(H50A), C25(H25),
 C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34), C48(H48),
  C50(H50), C57(H57), C59(H59), C64(H64), C68(H68), C67(H67), C66(H66), C65(H65)
6.b Fitted hexagon refined as free rotating group:
 C58A(C59A,C60A,C55A,C56A,C57A), C49(C48,C47,C46,C51,C50), C64(C69,C68,C67,C66,
 C65)
6.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C61A(H61A,H61B,H61C), C62A(H62A,H62B,
 H62C), C63A(H63A,H63B,H63C), C18(H18A,H18B,H18C), C24(H24A,H24B,H24C),
 C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C52A(H52A,H52B,
 H52C), C53A(H53A,H53B,H53C), C54A(H54A,H54B,H54C), C30(H30A,H30B,H30C),
 C36(H36A,H36B,H36C), C52(H52D,H52E,H52F), C53(H53D,H53E,H53F), C54(H54D,H54E,
 H54F), C61(H61D,H61E,H61F), C62(H62D,H62E,H62F), C63(H63D,H63E,H63F), C70(H70A,
 H70B,H70C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.58013(3) 0.47689(2) 0.67660(2) 0.02866(11) Uani 1 1 d . . . . .
Sb3A Sb 0.4476(4) 0.3689(3) 0.71099(12) 0.0284(15) Uani 0.237(6) 1 d . . P A 2
C1 C 0.7548(7) 0.5039(6) 0.7067(5) 0.039(2) Uani 1 1 d . . . . .
H1 H 0.7806 0.5258 0.6796 0.047 Uiso 1 1 calc R . . . .
C2 C 0.7166(7) 0.5387(5) 0.7465(5) 0.037(2) Uani 1 1 d . . . . .
H2 H 0.7119 0.5878 0.7502 0.045 Uiso 1 1 calc R . . . .
C3 C 0.6865(7) 0.4871(6) 0.7800(4) 0.036(2) Uani 1 1 d . . . . .
H3 H 0.6586 0.4958 0.8099 0.044 Uiso 1 1 calc R . . . .
C4 C 0.7059(7) 0.4201(6) 0.7601(4) 0.038(2) Uani 1 1 d . . . . .
H4 H 0.6929 0.3765 0.7748 0.046 Uiso 1 1 calc R . . . .
C5 C 0.7478(6) 0.4293(5) 0.7146(4) 0.034(2) Uani 1 1 d . . . . .
C6 C 0.7836(9) 0.3716(7) 0.6828(5) 0.061(3) Uani 1 1 d . . . . .
H6A H 0.7904 0.3897 0.6468 0.091 Uiso 1 1 calc GR . . . .
H6B H 0.7418 0.3322 0.6765 0.091 Uiso 1 1 calc GR . . . .
H6C H 0.8416 0.3557 0.7047 0.091 Uiso 1 1 calc GR . . . .
C7 C 0.6191(9) 0.4683(6) 0.5773(4) 0.046(3) Uani 1 1 d . . . . .
H7 H 0.6794 0.4593 0.5768 0.056 Uiso 1 1 calc R . . . .
C8 C 0.5536(9) 0.4172(6) 0.5773(4) 0.050(3) Uani 1 1 d . . . . .
H8 H 0.5628 0.3682 0.5779 0.060 Uiso 1 1 calc R . . . .
C9 C 0.4717(9) 0.4513(7) 0.5760(5) 0.052(3) Uani 1 1 d . . . . .
H9 H 0.4164 0.4290 0.5750 0.062 Uiso 1 1 calc R . . . .
C10 C 0.4868(8) 0.5241(7) 0.5767(4) 0.044(3) Uani 1 1 d . . . . .
H10 H 0.4430 0.5591 0.5762 0.053 Uiso 1 1 calc R . . . .
C11 C 0.5800(8) 0.5367(6) 0.5782(4) 0.043(3) Uani 1 1 d . . . . .
C12 C 0.6236(10) 0.6074(7) 0.5784(6) 0.067(4) Uani 1 1 d . . . . .
H12A H 0.6877 0.6031 0.5945 0.101 Uiso 1 1 calc GR . . . .
H12B H 0.5975 0.6401 0.6009 0.101 Uiso 1 1 calc GR . . . .
H12C H 0.6138 0.6250 0.5401 0.101 Uiso 1 1 calc GR . . . .
C58A C 0.359(4) 0.203(2) 0.5436(16) 0.042(8) Uani 0.237(6) 1 d . U P A 2
C59A C 0.445(3) 0.205(2) 0.580(2) 0.043(8) Uani 0.237(6) 1 d G U P A 2
H59A H 0.4905 0.1745 0.5729 0.051 Uiso 0.237(6) 1 calc R . P A 2
C60A C 0.464(2) 0.251(3) 0.6257(19) 0.038(8) Uani 0.237(6) 1 d G U P A 2
C55A C 0.397(4) 0.297(2) 0.6357(17) 0.039(9) Uani 0.237(6) 1 d G U P A 2
C56A C 0.310(3) 0.295(3) 0.600(2) 0.040(9) Uani 0.237(6) 1 d G U P A 2
C57A C 0.292(3) 0.249(3) 0.554(2) 0.040(9) Uani 0.237(6) 1 d G U P A 2
H57A H 0.2339 0.2478 0.5296 0.048 Uiso 0.237(6) 1 calc R . P A 2
C61A C 0.242(3) 0.347(3) 0.615(2) 0.046(10) Uani 0.237(6) 1 d . U P A 2
H61A H 0.2488 0.3473 0.6556 0.068 Uiso 0.237(6) 1 calc GR . P A 2
H61B H 0.1815 0.3318 0.5969 0.068 Uiso 0.237(6) 1 calc GR . P A 2
H61C H 0.2525 0.3939 0.6022 0.068 Uiso 0.237(6) 1 calc GR . P A 2
C62A C 0.330(4) 0.166(3) 0.488(2) 0.059(12) Uani 0.237(6) 1 d . U P A 2
H62A H 0.3134 0.1179 0.4938 0.089 Uiso 0.237(6) 1 calc GR . P A 2
H62B H 0.3800 0.1658 0.4689 0.089 Uiso 0.237(6) 1 calc GR . P A 2
H62C H 0.2794 0.1905 0.4642 0.089 Uiso 0.237(6) 1 calc GR . P A 2
C63A C 0.565(3) 0.245(3) 0.6643(19) 0.044(9) Uani 0.237(6) 1 d . U P A 2
H63A H 0.6080 0.2450 0.6402 0.066 Uiso 0.237(6) 1 calc GR . P A 2
H63B H 0.5712 0.2014 0.6857 0.066 Uiso 0.237(6) 1 calc GR . P A 2
H63C H 0.5778 0.2848 0.6900 0.066 Uiso 0.237(6) 1 calc GR . P A 2
Dy2 Dy 0.40326(3) 0.60926(2) 0.83552(2) 0.02622(10) Uani 1 1 d . . . . .
Sb1 Sb 0.47462(5) 0.60332(4) 0.72189(3) 0.03586(16) Uani 1 1 d . . . . .
Sb2A Sb 0.34135(14) 0.44946(10) 0.8515(3) 0.0312(11) Uani 0.388(8) 1 d . . P B
2
C13 C 0.5040(7) 0.6492(6) 0.9341(4) 0.043(3) Uani 1 1 d . . . . .
H13 H 0.4763 0.6765 0.9576 0.052 Uiso 1 1 calc R . . . .
C14 C 0.5093(7) 0.5741(6) 0.9338(4) 0.042(3) Uani 1 1 d . . . . .
H14 H 0.4847 0.5430 0.9564 0.051 Uiso 1 1 calc R . . . .
C15 C 0.5582(6) 0.5549(5) 0.8935(4) 0.034(2) Uani 1 1 d . . . . .
H15 H 0.5725 0.5086 0.8848 0.041 Uiso 1 1 calc R . . . .
C16 C 0.5820(6) 0.6175(6) 0.8683(4) 0.036(2) Uani 1 1 d . . . . .
H16 H 0.6148 0.6201 0.8401 0.043 Uiso 1 1 calc R . . . .
C17 C 0.5474(7) 0.6755(6) 0.8934(5) 0.044(3) Uani 1 1 d . . . . .
C18 C 0.5577(10) 0.7521(7) 0.8805(8) 0.083(5) Uani 1 1 d . . . . .
H18A H 0.5097 0.7791 0.8906 0.125 Uiso 1 1 calc GR . . . .
H18B H 0.5548 0.7578 0.8406 0.125 Uiso 1 1 calc GR . . . .
H18C H 0.6154 0.7691 0.9021 0.125 Uiso 1 1 calc GR . . . .
C19 C 0.3149(7) 0.7178(6) 0.8617(5) 0.046(3) Uani 1 1 d . . . . .
H19 H 0.3469 0.7468 0.8908 0.055 Uiso 1 1 calc R . . . .
C20 C 0.3115(8) 0.7268(6) 0.8042(5) 0.052(3) Uani 1 1 d . . . . .
H20 H 0.3407 0.7622 0.7880 0.062 Uiso 1 1 calc R . . . .
C21 C 0.2559(8) 0.6727(7) 0.7748(5) 0.055(3) Uani 1 1 d . . . . .
H21 H 0.2413 0.6660 0.7355 0.066 Uiso 1 1 calc R . . . .
C22 C 0.2257(7) 0.6300(6) 0.8150(5) 0.046(3) Uani 1 1 d . . . . .
H22 H 0.1879 0.5903 0.8070 0.056 Uiso 1 1 calc R . . . .
C23 C 0.2630(7) 0.6583(5) 0.8695(5) 0.041(3) Uani 1 1 d . . . . .
C24 C 0.2486(9) 0.6295(7) 0.9251(6) 0.064(4) Uani 1 1 d . . . . .
H24A H 0.3060 0.6151 0.9488 0.096 Uiso 1 1 calc GR . . . .
H24B H 0.2086 0.5890 0.9178 0.096 Uiso 1 1 calc GR . . . .
H24C H 0.2222 0.6658 0.9442 0.096 Uiso 1 1 calc GR . . . .
C37 C 0.3953(7) 0.6666(5) 0.6531(4) 0.033(2) Uani 1 1 d . U . . .
C38 C 0.4246(8) 0.7335(6) 0.6381(4) 0.042(2) Uani 1 1 d . U . . .
C39 C 0.3711(8) 0.7704(6) 0.5936(5) 0.047(3) Uani 1 1 d . U . . .
H39 H 0.3914 0.8143 0.5837 0.056 Uiso 1 1 calc R . . . .
C40 C 0.2898(8) 0.7455(6) 0.5635(5) 0.049(3) Uani 1 1 d . U . . .
C41 C 0.2605(7) 0.6813(6) 0.5778(5) 0.045(3) Uani 1 1 d . U . . .
H41 H 0.2047 0.6640 0.5575 0.054 Uiso 1 1 calc R . . . .
C42 C 0.3120(7) 0.6401(5) 0.6224(4) 0.037(2) Uani 1 1 d . U . . .
C43 C 0.5134(9) 0.7702(6) 0.6683(6) 0.061(3) Uani 1 1 d . . . . .
H43A H 0.5636 0.7386 0.6690 0.091 Uiso 1 1 calc GR . . . .
H43B H 0.5107 0.7819 0.7067 0.091 Uiso 1 1 calc GR . . . .
H43C H 0.5214 0.8130 0.6482 0.091 Uiso 1 1 calc GR . . . .
C44 C 0.2306(11) 0.7879(8) 0.5148(6) 0.082(5) Uani 1 1 d . . . . .
H44A H 0.2555 0.7846 0.4817 0.123 Uiso 1 1 calc GR . . . .
H44B H 0.2289 0.8370 0.5259 0.123 Uiso 1 1 calc GR . . . .
H44C H 0.1700 0.7688 0.5062 0.123 Uiso 1 1 calc GR . . . .
C45 C 0.2791(9) 0.5685(6) 0.6366(5) 0.055(3) Uani 1 1 d . . . . .
H45A H 0.2681 0.5698 0.6743 0.083 Uiso 1 1 calc GR . . . .
H45B H 0.3244 0.5331 0.6351 0.083 Uiso 1 1 calc GR . . . .
H45C H 0.2237 0.5567 0.6096 0.083 Uiso 1 1 calc GR . . . .
C46A C 0.1995(19) 0.443(2) 0.8512(15) 0.027(6) Uani 0.388(8) 1 d . U P B 2
C47A C 0.169(2) 0.4397(19) 0.9029(13) 0.032(6) Uani 0.388(8) 1 d . U P B 2
C48A C 0.073(2) 0.4382(17) 0.8977(14) 0.034(5) Uani 0.388(8) 1 d . U P B 2
H48A H 0.0518 0.4368 0.9309 0.040 Uiso 0.388(8) 1 calc R . P B 2
C49A C 0.011(2) 0.4385(19) 0.8456(15) 0.036(5) Uani 0.388(8) 1 d . U P B 2
C50A C 0.046(2) 0.440(3) 0.7994(14) 0.035(6) Uani 0.388(8) 1 d . U P B 2
H50A H 0.0049 0.4396 0.7642 0.042 Uiso 0.388(8) 1 calc R . P B 2
C51A C 0.133(3) 0.443(3) 0.7984(14) 0.032(6) Uani 0.388(8) 1 d . U P B 2
C52A C 0.234(2) 0.4349(17) 0.9616(13) 0.046(6) Uani 0.388(8) 1 d . U P B 2
H52A H 0.2495 0.4820 0.9761 0.069 Uiso 0.388(8) 1 calc GR . P B 2
H52B H 0.2883 0.4102 0.9582 0.069 Uiso 0.388(8) 1 calc GR . P B 2
H52C H 0.2054 0.4092 0.9872 0.069 Uiso 0.388(8) 1 calc GR . P B 2
C53A C -0.087(2) 0.435(2) 0.8474(16) 0.050(7) Uani 0.388(8) 1 d . U P B 2
H53A H -0.1178 0.4769 0.8289 0.076 Uiso 0.388(8) 1 calc GR . P B 2
H53B H -0.0921 0.4343 0.8864 0.076 Uiso 0.388(8) 1 calc GR . P B 2
H53C H -0.1142 0.3933 0.8281 0.076 Uiso 0.388(8) 1 calc GR . P B 2
C54A C 0.165(2) 0.4509(19) 0.7437(13) 0.047(7) Uani 0.388(8) 1 d . U P B 2
H54A H 0.2195 0.4229 0.7463 0.071 Uiso 0.388(8) 1 calc GR . P B 2
H54B H 0.1787 0.5002 0.7383 0.071 Uiso 0.388(8) 1 calc GR . P B 2
H54C H 0.1189 0.4347 0.7121 0.071 Uiso 0.388(8) 1 calc GR . P B 2
Dy3 Dy 0.42139(3) 0.29775(2) 0.82498(2) 0.02882(11) Uani 1 1 d . . . . .
C25 C 0.5543(7) 0.2386(6) 0.9001(5) 0.045(3) Uani 1 1 d . . . . .
H25 H 0.5531 0.1891 0.9027 0.054 Uiso 1 1 calc R . . . .
C26 C 0.5964(7) 0.2775(6) 0.8630(5) 0.041(3) Uani 1 1 d . . . . .
H26 H 0.6271 0.2585 0.8372 0.049 Uiso 1 1 calc R . . . .
C27 C 0.5833(6) 0.3493(5) 0.8724(4) 0.035(2) Uani 1 1 d . . . . .
H27 H 0.6036 0.3874 0.8539 0.042 Uiso 1 1 calc R . . . .
C28 C 0.5338(7) 0.3539(5) 0.9149(4) 0.038(2) Uani 1 1 d . . . . .
H28 H 0.5162 0.3961 0.9295 0.046 Uiso 1 1 calc R . . . .
C29 C 0.5151(7) 0.2856(6) 0.9319(5) 0.043(3) Uani 1 1 d . . . . .
C30 C 0.4681(9) 0.2660(8) 0.9785(5) 0.062(3) Uani 1 1 d . . . . .
H30A H 0.4162 0.2367 0.9629 0.092 Uiso 1 1 calc GR . . . .
H30B H 0.4486 0.3086 0.9943 0.092 Uiso 1 1 calc GR . . . .
H30C H 0.5094 0.2402 1.0078 0.092 Uiso 1 1 calc GR . . . .
C31 C 0.3524(9) 0.1734(7) 0.8381(7) 0.068(3) Uani 1 1 d . U . . .
H31 H 0.3822 0.1462 0.8691 0.082 Uiso 1 1 calc R . . . .
C32 C 0.2839(8) 0.2223(7) 0.8387(6) 0.062(3) Uani 1 1 d . U . . .
H32 H 0.2608 0.2340 0.8701 0.075 Uiso 1 1 calc R . . . .
C33 C 0.2555(8) 0.2509(7) 0.7843(6) 0.055(3) Uani 1 1 d . U . . .
H33 H 0.2102 0.2849 0.7726 0.066 Uiso 1 1 calc R . . . .
C34 C 0.3078(8) 0.2189(6) 0.7506(5) 0.047(3) Uani 1 1 d . U . . .
H34 H 0.3027 0.2275 0.7119 0.057 Uiso 1 1 calc R . . . .
C35 C 0.3692(8) 0.1718(6) 0.7842(6) 0.058(3) Uani 1 1 d . U . . .
C36 C 0.4389(10) 0.1255(8) 0.7654(9) 0.102(6) Uani 1 1 d . U . . .
H36A H 0.4835 0.1099 0.7982 0.153 Uiso 1 1 calc GR . . . .
H36B H 0.4680 0.1525 0.7408 0.153 Uiso 1 1 calc GR . . . .
H36C H 0.4092 0.0847 0.7452 0.153 Uiso 1 1 calc GR . . . .
Sb2 Sb 0.33107(9) 0.44890(6) 0.81769(16) 0.0297(6) Uani 0.612(8) 1 d . . P A 1
Sb3 Sb 0.48740(13) 0.33767(11) 0.71379(4) 0.0312(5) Uani 0.763(6) 1 d . . P A 1
C49 C 0.0286(10) 0.4317(12) 0.8646(9) 0.054(5) Uani 0.612(8) 1 d . U P A 1
C48 C 0.1088(14) 0.4275(11) 0.9066(6) 0.052(5) Uani 0.612(8) 1 d G U P A 1
H48 H 0.1067 0.4224 0.9446 0.062 Uiso 0.612(8) 1 calc R . P B 1
C47 C 0.1922(10) 0.4310(11) 0.8916(6) 0.043(5) Uani 0.612(8) 1 d G U P A 1
C46 C 0.1954(9) 0.4387(14) 0.8347(8) 0.036(5) Uani 0.612(8) 1 d G U P A 1
C51 C 0.1151(13) 0.4429(16) 0.7928(5) 0.042(5) Uani 0.612(8) 1 d G U P A 1
C50 C 0.0317(10) 0.4394(15) 0.8078(8) 0.048(5) Uani 0.612(8) 1 d G U P A 1
H50 H -0.0220 0.4423 0.7797 0.058 Uiso 0.612(8) 1 calc R . P B 1
C52 C 0.2814(14) 0.4243(13) 0.9379(8) 0.057(5) Uani 0.612(8) 1 d . U P A 1
H52D H 0.2711 0.3951 0.9685 0.086 Uiso 0.612(8) 1 calc GR . P B 1
H52E H 0.3011 0.4708 0.9522 0.086 Uiso 0.612(8) 1 calc GR . P B 1
H52F H 0.3273 0.4028 0.9217 0.086 Uiso 0.612(8) 1 calc GR . P B 1
C53 C -0.0630(15) 0.4266(17) 0.8820(13) 0.075(7) Uani 0.612(8) 1 d . U P A 1
H53D H -0.0549 0.4006 0.9172 0.113 Uiso 0.612(8) 1 calc GR . P B 1
H53E H -0.1063 0.4022 0.8527 0.113 Uiso 0.612(8) 1 calc GR . P B 1
H53F H -0.0848 0.4737 0.8870 0.113 Uiso 0.612(8) 1 calc GR . P B 1
C54 C 0.1135(16) 0.4514(12) 0.7292(9) 0.056(5) Uani 0.612(8) 1 d . U P A 1
H54D H 0.1441 0.4117 0.7168 0.084 Uiso 0.612(8) 1 calc GR . P B 1
H54E H 0.1438 0.4948 0.7235 0.084 Uiso 0.612(8) 1 calc GR . P B 1
H54F H 0.0517 0.4529 0.7076 0.084 Uiso 0.612(8) 1 calc GR . P B 1
C55 C 0.4194(10) 0.2805(9) 0.6392(6) 0.029(3) Uani 0.763(6) 1 d . U P A 1
C56 C 0.3279(10) 0.2979(8) 0.6132(6) 0.027(3) Uani 0.763(6) 1 d . U P A 1
C57 C 0.2834(10) 0.2623(9) 0.5647(7) 0.032(4) Uani 0.763(6) 1 d . U P A 1
H57 H 0.2233 0.2743 0.5485 0.039 Uiso 0.763(6) 1 calc R . P A 1
C58 C 0.3245(10) 0.2094(8) 0.5388(6) 0.030(3) Uani 0.763(6) 1 d . U P A 1
C59 C 0.4133(12) 0.1936(8) 0.5633(7) 0.039(4) Uani 0.763(6) 1 d . U P A 1
H59 H 0.4426 0.1597 0.5458 0.046 Uiso 0.763(6) 1 calc R . P A 1
C60 C 0.4625(10) 0.2261(9) 0.6135(8) 0.038(4) Uani 0.763(6) 1 d . U P A 1
C61 C 0.2792(11) 0.3543(8) 0.6377(7) 0.042(4) Uani 0.763(6) 1 d . U P A 1
H61D H 0.3152 0.3970 0.6432 0.064 Uiso 0.763(6) 1 calc GR . P A 1
H61E H 0.2693 0.3385 0.6736 0.064 Uiso 0.763(6) 1 calc GR . P A 1
H61F H 0.2218 0.3638 0.6120 0.064 Uiso 0.763(6) 1 calc GR . P A 1
C62 C 0.2756(11) 0.1702(9) 0.4854(6) 0.045(4) Uani 0.763(6) 1 d . U P A 1
H62D H 0.2283 0.2000 0.4638 0.067 Uiso 0.763(6) 1 calc GR . P A 1
H62E H 0.2495 0.1270 0.4960 0.067 Uiso 0.763(6) 1 calc GR . P A 1
H62F H 0.3181 0.1588 0.4626 0.067 Uiso 0.763(6) 1 calc GR . P A 1
C63 C 0.5583(9) 0.2025(10) 0.6368(7) 0.058(4) Uani 0.763(6) 1 d . U P A 1
H63D H 0.5606 0.1718 0.6691 0.087 Uiso 0.763(6) 1 calc GR . P A 1
H63E H 0.5962 0.2434 0.6485 0.087 Uiso 0.763(6) 1 calc GR . P A 1
H63F H 0.5797 0.1770 0.6079 0.087 Uiso 0.763(6) 1 calc GR . P A 1
C64 C -0.1217(5) 0.4949(6) 0.5525(4) 0.077(4) Uani 1 1 d . . . . .
H64 H -0.1741 0.5129 0.5614 0.093 Uiso 1 1 calc R . . . .
C69 C -0.1250(5) 0.4680(5) 0.4983(4) 0.063(4) Uani 1 1 d G . . . .
C68 C -0.0467(7) 0.4411(5) 0.4850(4) 0.091(5) Uani 1 1 d G . . . .
H68 H -0.0489 0.4231 0.4487 0.109 Uiso 1 1 calc R . . . .
C67 C 0.0349(5) 0.4410(6) 0.5259(5) 0.089(5) Uani 1 1 d G . . . .
H67 H 0.0873 0.4230 0.5170 0.107 Uiso 1 1 calc R . . . .
C66 C 0.0382(5) 0.4679(6) 0.5801(4) 0.070(4) Uani 1 1 d G . . . .
H66 H 0.0928 0.4678 0.6075 0.083 Uiso 1 1 calc R . . . .
C65 C -0.0401(7) 0.4948(6) 0.5934(3) 0.083(5) Uani 1 1 d G . . . .
H65 H -0.0379 0.5128 0.6297 0.099 Uiso 1 1 calc R . . . .
C70 C -0.2126(10) 0.4691(8) 0.4545(7) 0.085(5) Uani 1 1 d . . . . .
H70A H -0.2192 0.5142 0.4350 0.127 Uiso 1 1 calc GR . . . .
H70B H -0.2622 0.4626 0.4728 0.127 Uiso 1 1 calc GR . . . .
H70C H -0.2129 0.4314 0.4275 0.127 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Sb3A 3.092(3) . ?
Dy1 C1 2.621(10) . ?
Dy1 C2 2.614(10) . ?
Dy1 C3 2.642(10) . ?
Dy1 C4 2.651(11) . ?
Dy1 C5 2.643(10) . ?
Dy1 C7 2.598(10) . ?
Dy1 C8 2.588(10) . ?
Dy1 C9 2.637(11) . ?
Dy1 C10 2.646(10) . ?
Dy1 C11 2.623(10) . ?
Dy1 Sb1 3.1864(8) . ?
Sb3A C55A 2.25(3) . ?
Sb3A Dy3 3.160(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.390(15) . ?
C1 C5 1.419(15) . ?
C2 H2 0.9300 . ?
C2 C3 1.401(15) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(15) . ?
C4 H4 0.9300 . ?
C4 C5 1.399(14) . ?
C5 C6 1.497(14) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.376(16) . ?
C7 C11 1.413(15) . ?
C8 H8 0.9300 . ?
C8 C9 1.387(17) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(17) . ?
C10 H10 0.9300 . ?
C10 C11 1.421(15) . ?
C11 C12 1.481(16) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C58A C59A 1.3900 . ?
C58A C57A 1.3900 . ?
C58A C62A 1.49(6) . ?
C59A H59A 0.9300 . ?
C59A C60A 1.3900 . ?
C60A C55A 1.3900 . ?
C60A C63A 1.60(5) . ?
C55A C56A 1.3900 . ?
C56A C57A 1.3900 . ?
C56A C61A 1.52(6) . ?
C57A H57A 0.9300 . ?
C61A H61A 0.9600 . ?
C61A H61B 0.9600 . ?
C61A H61C 0.9600 . ?
C62A H62A 0.9600 . ?
C62A H62B 0.9600 . ?
C62A H62C 0.9600 . ?
C63A H63A 0.9600 . ?
C63A H63B 0.9600 . ?
C63A H63C 0.9600 . ?
Dy2 Sb1 3.1679(7) . ?
Dy2 Sb2A 3.188(2) . ?
Dy2 C13 2.618(10) . ?
Dy2 C14 2.620(10) . ?
Dy2 C15 2.639(9) . ?
Dy2 C16 2.639(9) . ?
Dy2 C17 2.614(10) . ?
Dy2 C19 2.590(10) . ?
Dy2 C20 2.620(10) . ?
Dy2 C21 2.648(11) . ?
Dy2 C22 2.643(10) . ?
Dy2 C23 2.610(10) . ?
Sb1 C37 2.162(9) . ?
Sb2A C46A 2.15(3) . ?
Sb2A Dy3 3.211(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.411(16) . ?
C13 C17 1.391(16) . ?
C14 H14 0.9300 . ?
C14 C15 1.397(14) . ?
C15 H15 0.9300 . ?
C15 C16 1.407(14) . ?
C16 H16 0.9300 . ?
C16 C17 1.403(15) . ?
C17 C18 1.485(17) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C20 1.386(17) . ?
C19 C23 1.400(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.399(18) . ?
C21 H21 0.9300 . ?
C21 C22 1.411(18) . ?
C22 H22 0.9300 . ?
C22 C23 1.408(16) . ?
C23 C24 1.507(16) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C37 C38 1.405(15) . ?
C37 C42 1.397(14) . ?
C38 C39 1.370(15) . ?
C38 C43 1.535(16) . ?
C39 H39 0.9300 . ?
C39 C40 1.357(17) . ?
C40 C41 1.355(17) . ?
C40 C44 1.524(16) . ?
C41 H41 0.9300 . ?
C41 C42 1.403(15) . ?
C42 C45 1.499(15) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46A C47A 1.43(4) . ?
C46A C51A 1.43(4) . ?
C47A C48A 1.42(4) . ?
C47A C52A 1.53(4) . ?
C48A H48A 0.9300 . ?
C48A C49A 1.39(4) . ?
C49A C50A 1.34(5) . ?
C49A C53A 1.49(4) . ?
C50A H50A 0.9300 . ?
C50A C51A 1.32(4) . ?
C51A C54A 1.52(4) . ?
C52A H52A 0.9600 . ?
C52A H52B 0.9600 . ?
C52A H52C 0.9600 . ?
C53A H53A 0.9600 . ?
C53A H53B 0.9600 . ?
C53A H53C 0.9600 . ?
C54A H54A 0.9600 . ?
C54A H54B 0.9600 . ?
C54A H54C 0.9600 . ?
Dy3 C25 2.620(10) . ?
Dy3 C26 2.619(10) . ?
Dy3 C27 2.635(10) . ?
Dy3 C28 2.644(10) . ?
Dy3 C29 2.649(11) . ?
Dy3 C31 2.602(12) . ?
Dy3 C32 2.597(11) . ?
Dy3 C33 2.624(11) . ?
Dy3 C34 2.632(11) . ?
Dy3 C35 2.608(12) . ?
Dy3 Sb2 3.1319(12) . ?
Dy3 Sb3 3.1570(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.413(15) . ?
C25 C29 1.387(16) . ?
C26 H26 0.9300 . ?
C26 C27 1.387(15) . ?
C27 H27 0.9300 . ?
C27 C28 1.403(14) . ?
C28 H28 0.9300 . ?
C28 C29 1.394(14) . ?
C29 C30 1.505(15) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.385(19) . ?
C31 C35 1.38(2) . ?
C32 H32 0.9300 . ?
C32 C33 1.389(18) . ?
C33 H33 0.9300 . ?
C33 C34 1.392(17) . ?
C34 H34 0.9300 . ?
C34 C35 1.397(17) . ?
C35 C36 1.513(19) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
Sb2 C46 2.191(12) . ?
Sb3 C55 2.142(14) . ?
C49 C48 1.3900 . ?
C49 C50 1.3900 . ?
C49 C53 1.54(2) . ?
C48 H48 0.9300 . ?
C48 C47 1.3900 . ?
C47 C46 1.3900 . ?
C47 C52 1.54(2) . ?
C46 C51 1.3900 . ?
C51 C50 1.3900 . ?
C51 C54 1.53(2) . ?
C50 H50 0.9300 . ?
C52 H52D 0.9600 . ?
C52 H52E 0.9600 . ?
C52 H52F 0.9600 . ?
C53 H53D 0.9600 . ?
C53 H53E 0.9600 . ?
C53 H53F 0.9600 . ?
C54 H54D 0.9600 . ?
C54 H54E 0.9600 . ?
C54 H54F 0.9600 . ?
C55 C56 1.418(18) . ?
C55 C60 1.43(2) . ?
C56 C57 1.379(19) . ?
C56 C61 1.485(19) . ?
C57 H57 0.9300 . ?
C57 C58 1.391(19) . ?
C58 C59 1.369(19) . ?
C58 C62 1.517(18) . ?
C59 H59 0.9300 . ?
C59 C60 1.40(2) . ?
C60 C63 1.495(19) . ?
C61 H61D 0.9600 . ?
C61 H61E 0.9600 . ?
C61 H61F 0.9600 . ?
C62 H62D 0.9600 . ?
C62 H62E 0.9600 . ?
C62 H62F 0.9600 . ?
C63 H63D 0.9600 . ?
C63 H63E 0.9600 . ?
C63 H63F 0.9600 . ?
C64 H64 0.9300 . ?
C64 C69 1.3900 . ?
C64 C65 1.3900 . ?
C69 C68 1.3900 . ?
C69 C70 1.490(15) . ?
C68 H68 0.9300 . ?
C68 C67 1.3900 . ?
C67 H67 0.9300 . ?
C67 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C65 1.3900 . ?
C65 H65 0.9300 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?

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
Sb3A Dy1 Sb1 89.35(14) . . ?
C1 Dy1 Sb3A 136.5(3) . . ?
C1 Dy1 C3 51.0(3) . . ?
C1 Dy1 C4 50.8(3) . . ?
C1 Dy1 C5 31.3(3) . . ?
C1 Dy1 C9 131.5(4) . . ?
C1 Dy1 C10 118.6(3) . . ?
C1 Dy1 C11 87.6(3) . . ?
C1 Dy1 Sb1 108.3(2) . . ?
C2 Dy1 Sb3A 125.5(2) . . ?
C2 Dy1 C1 30.8(3) . . ?
C2 Dy1 C3 30.9(3) . . ?
C2 Dy1 C4 50.8(3) . . ?
C2 Dy1 C5 51.3(3) . . ?
C2 Dy1 C9 154.6(4) . . ?
C2 Dy1 C10 127.9(4) . . ?
C2 Dy1 C11 103.3(3) . . ?
C2 Dy1 Sb1 80.4(2) . . ?
C3 Dy1 Sb3A 94.9(2) . . ?
C3 Dy1 C4 30.7(3) . . ?
C3 Dy1 C5 51.1(3) . . ?
C3 Dy1 C10 156.1(4) . . ?
C3 Dy1 Sb1 82.3(2) . . ?
C4 Dy1 Sb3A 85.9(2) . . ?
C4 Dy1 Sb1 111.5(2) . . ?
C5 Dy1 Sb3A 108.4(3) . . ?
C5 Dy1 C4 30.6(3) . . ?
C5 Dy1 C10 134.0(3) . . ?
C5 Dy1 Sb1 130.4(2) . . ?
C7 Dy1 Sb3A 120.3(3) . . ?
C7 Dy1 C1 80.7(4) . . ?
C7 Dy1 C2 107.9(4) . . ?
C7 Dy1 C3 130.9(4) . . ?
C7 Dy1 C4 113.5(3) . . ?
C7 Dy1 C5 84.0(3) . . ?
C7 Dy1 C9 50.7(4) . . ?
C7 Dy1 C10 50.9(4) . . ?
C7 Dy1 C11 31.4(3) . . ?
C7 Dy1 Sb1 126.8(3) . . ?
C8 Dy1 Sb3A 89.6(3) . . ?
C8 Dy1 C1 105.7(4) . . ?
C8 Dy1 C2 135.9(4) . . ?
C8 Dy1 C3 146.5(4) . . ?
C8 Dy1 C4 117.4(4) . . ?
C8 Dy1 C5 96.1(4) . . ?
C8 Dy1 C7 30.8(3) . . ?
C8 Dy1 C9 30.8(4) . . ?
C8 Dy1 C10 50.7(4) . . ?
C8 Dy1 C11 51.7(3) . . ?
C8 Dy1 Sb1 130.9(3) . . ?
C9 Dy1 Sb3A 79.8(3) . . ?
C9 Dy1 C3 173.5(4) . . ?
C9 Dy1 C4 144.0(4) . . ?
C9 Dy1 C5 126.8(4) . . ?
C9 Dy1 C10 30.3(4) . . ?
C9 Dy1 Sb1 101.3(3) . . ?
C10 Dy1 Sb3A 102.7(3) . . ?
C10 Dy1 C4 164.4(3) . . ?
C10 Dy1 Sb1 81.9(3) . . ?
C11 Dy1 Sb3A 131.0(3) . . ?
C11 Dy1 C3 134.0(3) . . ?
C11 Dy1 C4 135.1(3) . . ?
C11 Dy1 C5 104.9(3) . . ?
C11 Dy1 C9 51.4(4) . . ?
C11 Dy1 C10 31.3(3) . . ?
C11 Dy1 Sb1 95.5(2) . . ?
Dy1 Sb3A Dy3 136.74(11) . . ?
C55A Sb3A Dy1 107.4(15) . . ?
C55A Sb3A Dy3 111.0(14) . . ?
Dy1 C1 H1 116.7 . . ?
C2 C1 Dy1 74.3(6) . . ?
C2 C1 H1 125.8 . . ?
C2 C1 C5 108.3(9) . . ?
C5 C1 Dy1 75.2(5) . . ?
C5 C1 H1 125.8 . . ?
Dy1 C2 H2 115.8 . . ?
C1 C2 Dy1 74.9(6) . . ?
C1 C2 H2 125.8 . . ?
C1 C2 C3 108.4(9) . . ?
C3 C2 Dy1 75.6(5) . . ?
C3 C2 H2 125.8 . . ?
Dy1 C3 H3 117.3 . . ?
C2 C3 Dy1 73.4(6) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 Dy1 75.1(6) . . ?
C4 C3 C2 107.5(9) . . ?
C4 C3 H3 126.3 . . ?
Dy1 C4 H4 117.7 . . ?
C3 C4 Dy1 74.3(6) . . ?
C3 C4 H4 125.5 . . ?
C3 C4 C5 109.1(9) . . ?
C5 C4 Dy1 74.4(6) . . ?
C5 C4 H4 125.5 . . ?
C1 C5 Dy1 73.5(6) . . ?
C1 C5 C6 126.7(10) . . ?
C4 C5 Dy1 75.0(6) . . ?
C4 C5 C1 106.7(9) . . ?
C4 C5 C6 126.5(10) . . ?
C6 C5 Dy1 119.9(7) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Dy1 C7 H7 117.0 . . ?
C8 C7 Dy1 74.2(6) . . ?
C8 C7 H7 125.4 . . ?
C8 C7 C11 109.1(11) . . ?
C11 C7 Dy1 75.3(6) . . ?
C11 C7 H7 125.4 . . ?
Dy1 C8 H8 114.9 . . ?
C7 C8 Dy1 75.0(6) . . ?
C7 C8 H8 125.7 . . ?
C7 C8 C9 108.5(11) . . ?
C9 C8 Dy1 76.6(6) . . ?
C9 C8 H8 125.7 . . ?
Dy1 C9 H9 118.1 . . ?
C8 C9 Dy1 72.7(6) . . ?
C8 C9 H9 126.0 . . ?
C10 C9 Dy1 75.2(6) . . ?
C10 C9 C8 108.0(11) . . ?
C10 C9 H9 126.0 . . ?
Dy1 C10 H10 118.4 . . ?
C9 C10 Dy1 74.5(6) . . ?
C9 C10 H10 125.6 . . ?
C9 C10 C11 108.9(11) . . ?
C11 C10 Dy1 73.5(6) . . ?
C11 C10 H10 125.6 . . ?
C7 C11 Dy1 73.3(6) . . ?
C7 C11 C10 105.3(10) . . ?
C7 C11 C12 128.7(11) . . ?
C10 C11 Dy1 75.3(6) . . ?
C10 C11 C12 125.9(11) . . ?
C12 C11 Dy1 118.1(8) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C59A C58A C57A 120.0 . . ?
C59A C58A C62A 127(4) . . ?
C57A C58A C62A 112(4) . . ?
C58A C59A H59A 120.0 . . ?
C60A C59A C58A 120.0 . . ?
C60A C59A H59A 120.0 . . ?
C59A C60A C55A 120.0 . . ?
C59A C60A C63A 114(4) . . ?
C55A C60A C63A 126(4) . . ?
C60A C55A Sb3A 112(3) . . ?
C56A C55A Sb3A 128(3) . . ?
C56A C55A C60A 120.0 . . ?
C55A C56A C57A 120.0 . . ?
C55A C56A C61A 115(4) . . ?
C57A C56A C61A 125(4) . . ?
C58A C57A H57A 120.0 . . ?
C56A C57A C58A 120.0 . . ?
C56A C57A H57A 120.0 . . ?
C56A C61A H61A 109.5 . . ?
C56A C61A H61B 109.5 . . ?
C56A C61A H61C 109.5 . . ?
H61A C61A H61B 109.5 . . ?
H61A C61A H61C 109.5 . . ?
H61B C61A H61C 109.5 . . ?
C58A C62A H62A 109.5 . . ?
C58A C62A H62B 109.5 . . ?
C58A C62A H62C 109.5 . . ?
H62A C62A H62B 109.5 . . ?
H62A C62A H62C 109.5 . . ?
H62B C62A H62C 109.5 . . ?
C60A C63A H63A 109.5 . . ?
C60A C63A H63B 109.5 . . ?
C60A C63A H63C 109.5 . . ?
H63A C63A H63B 109.5 . . ?
H63A C63A H63C 109.5 . . ?
H63B C63A H63C 109.5 . . ?
Sb1 Dy2 Sb2A 103.84(10) . . ?
C13 Dy2 Sb1 123.5(3) . . ?
C13 Dy2 Sb2A 106.5(3) . . ?
C13 Dy2 C14 31.3(4) . . ?
C13 Dy2 C15 51.0(3) . . ?
C13 Dy2 C16 51.0(3) . . ?
C13 Dy2 C20 100.4(4) . . ?
C13 Dy2 C21 127.7(4) . . ?
C13 Dy2 C22 118.7(4) . . ?
C14 Dy2 Sb1 120.9(2) . . ?
C14 Dy2 Sb2A 77.8(3) . . ?
C14 Dy2 C15 30.8(3) . . ?
C14 Dy2 C16 51.3(3) . . ?
C14 Dy2 C20 130.2(4) . . ?
C14 Dy2 C21 150.9(4) . . ?
C14 Dy2 C22 126.1(4) . . ?
C15 Dy2 Sb1 90.4(2) . . ?
C15 Dy2 Sb2A 79.8(2) . . ?
C15 Dy2 C16 30.9(3) . . ?
C15 Dy2 C21 175.2(4) . . ?
C15 Dy2 C22 153.4(4) . . ?
C16 Dy2 Sb1 74.4(2) . . ?
C16 Dy2 Sb2A 109.1(2) . . ?
C16 Dy2 C21 144.2(4) . . ?
C16 Dy2 C22 166.6(3) . . ?
C17 Dy2 Sb1 94.0(3) . . ?
C17 Dy2 Sb2A 127.9(3) . . ?
C17 Dy2 C13 30.8(4) . . ?
C17 Dy2 C14 51.4(4) . . ?
C17 Dy2 C15 51.2(3) . . ?
C17 Dy2 C16 31.0(3) . . ?
C17 Dy2 C20 94.3(4) . . ?
C17 Dy2 C21 124.9(4) . . ?
C17 Dy2 C22 135.7(4) . . ?
C19 Dy2 Sb1 122.4(3) . . ?
C19 Dy2 Sb2A 121.8(3) . . ?
C19 Dy2 C13 77.2(4) . . ?
C19 Dy2 C14 102.7(4) . . ?
C19 Dy2 C15 128.2(3) . . ?
C19 Dy2 C16 115.5(3) . . ?
C19 Dy2 C17 84.8(4) . . ?
C19 Dy2 C20 30.9(4) . . ?
C19 Dy2 C21 50.7(4) . . ?
C19 Dy2 C22 51.1(3) . . ?
C19 Dy2 C23 31.2(3) . . ?
C20 Dy2 Sb1 92.5(3) . . ?
C20 Dy2 Sb2A 132.4(3) . . ?
C20 Dy2 C15 145.5(4) . . ?
C20 Dy2 C16 118.3(4) . . ?
C20 Dy2 C21 30.8(4) . . ?
C20 Dy2 C22 51.3(4) . . ?
C21 Dy2 Sb1 87.1(3) . . ?
C21 Dy2 Sb2A 104.8(3) . . ?
C22 Dy2 Sb1 112.2(3) . . ?
C22 Dy2 Sb2A 81.2(3) . . ?
C22 Dy2 C21 30.9(4) . . ?
C23 Dy2 Sb1 138.3(2) . . ?
C23 Dy2 Sb2A 90.6(2) . . ?
C23 Dy2 C13 87.7(3) . . ?
C23 Dy2 C14 100.2(3) . . ?
C23 Dy2 C15 131.0(3) . . ?
C23 Dy2 C16 137.3(3) . . ?
C23 Dy2 C17 107.6(4) . . ?
C23 Dy2 C20 51.7(4) . . ?
C23 Dy2 C21 51.3(4) . . ?
C23 Dy2 C22 31.1(3) . . ?
Dy2 Sb1 Dy1 128.26(2) . . ?
C37 Sb1 Dy1 112.2(2) . . ?
C37 Sb1 Dy2 113.9(2) . . ?
Dy2 Sb2A Dy3 132.34(11) . . ?
C46A Sb2A Dy2 111.8(11) . . ?
C46A Sb2A Dy3 111.9(11) . . ?
Dy2 C13 H13 117.3 . . ?
C14 C13 Dy2 74.4(6) . . ?
C14 C13 H13 125.8 . . ?
C17 C13 Dy2 74.4(6) . . ?
C17 C13 H13 125.8 . . ?
C17 C13 C14 108.3(10) . . ?
Dy2 C14 H14 116.2 . . ?
C13 C14 Dy2 74.3(6) . . ?
C13 C14 H14 126.3 . . ?
C15 C14 Dy2 75.3(6) . . ?
C15 C14 C13 107.4(10) . . ?
C15 C14 H14 126.3 . . ?
Dy2 C15 H15 117.8 . . ?
C14 C15 Dy2 73.8(6) . . ?
C14 C15 H15 125.8 . . ?
C14 C15 C16 108.4(9) . . ?
C16 C15 Dy2 74.5(5) . . ?
C16 C15 H15 125.8 . . ?
Dy2 C16 H16 117.8 . . ?
C15 C16 Dy2 74.5(5) . . ?
C15 C16 H16 126.2 . . ?
C17 C16 Dy2 73.5(6) . . ?
C17 C16 C15 107.6(9) . . ?
C17 C16 H16 126.2 . . ?
C13 C17 Dy2 74.8(6) . . ?
C13 C17 C16 108.3(10) . . ?
C13 C17 C18 125.4(12) . . ?
C16 C17 Dy2 75.5(6) . . ?
C16 C17 C18 126.3(13) . . ?
C18 C17 Dy2 117.6(8) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Dy2 C19 H19 115.8 . . ?
C20 C19 Dy2 75.8(6) . . ?
C20 C19 H19 125.1 . . ?
C20 C19 C23 109.8(11) . . ?
C23 C19 Dy2 75.2(6) . . ?
C23 C19 H19 125.1 . . ?
Dy2 C20 H20 116.7 . . ?
C19 C20 Dy2 73.4(6) . . ?
C19 C20 H20 126.4 . . ?
C19 C20 C21 107.2(11) . . ?
C21 C20 Dy2 75.7(6) . . ?
C21 C20 H20 126.4 . . ?
Dy2 C21 H21 118.3 . . ?
C20 C21 Dy2 73.5(6) . . ?
C20 C21 H21 125.8 . . ?
C20 C21 C22 108.4(11) . . ?
C22 C21 Dy2 74.4(6) . . ?
C22 C21 H21 125.8 . . ?
Dy2 C22 H22 118.0 . . ?
C21 C22 Dy2 74.7(6) . . ?
C21 C22 H22 126.2 . . ?
C23 C22 Dy2 73.2(6) . . ?
C23 C22 C21 107.6(11) . . ?
C23 C22 H22 126.2 . . ?
C19 C23 Dy2 73.6(6) . . ?
C19 C23 C22 106.9(10) . . ?
C19 C23 C24 127.2(11) . . ?
C22 C23 Dy2 75.8(6) . . ?
C22 C23 C24 125.9(11) . . ?
C24 C23 Dy2 116.5(7) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C38 C37 Sb1 122.4(8) . . ?
C42 C37 Sb1 119.0(7) . . ?
C42 C37 C38 118.7(9) . . ?
C37 C38 C43 124.8(10) . . ?
C39 C38 C37 119.2(11) . . ?
C39 C38 C43 116.1(10) . . ?
C38 C39 H39 118.5 . . ?
C40 C39 C38 122.9(11) . . ?
C40 C39 H39 118.5 . . ?
C39 C40 C44 122.1(12) . . ?
C41 C40 C39 118.5(10) . . ?
C41 C40 C44 119.4(12) . . ?
C40 C41 H41 119.1 . . ?
C40 C41 C42 121.8(11) . . ?
C42 C41 H41 119.1 . . ?
C37 C42 C41 118.9(10) . . ?
C37 C42 C45 120.2(10) . . ?
C41 C42 C45 120.9(10) . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47A C46A Sb2A 122(2) . . ?
C47A C46A C51A 118(2) . . ?
C51A C46A Sb2A 120(2) . . ?
C46A C47A C52A 123(3) . . ?
C48A C47A C46A 117(2) . . ?
C48A C47A C52A 120(3) . . ?
C47A C48A H48A 118.4 . . ?
C49A C48A C47A 123(3) . . ?
C49A C48A H48A 118.4 . . ?
C48A C49A C53A 117(3) . . ?
C50A C49A C48A 116(3) . . ?
C50A C49A C53A 128(3) . . ?
C49A C50A H50A 116.4 . . ?
C51A C50A C49A 127(3) . . ?
C51A C50A H50A 116.4 . . ?
C46A C51A C54A 118(3) . . ?
C50A C51A C46A 119(3) . . ?
C50A C51A C54A 123(3) . . ?
C47A C52A H52A 109.5 . . ?
C47A C52A H52B 109.5 . . ?
C47A C52A H52C 109.5 . . ?
H52A C52A H52B 109.5 . . ?
H52A C52A H52C 109.5 . . ?
H52B C52A H52C 109.5 . . ?
C49A C53A H53A 109.5 . . ?
C49A C53A H53B 109.5 . . ?
C49A C53A H53C 109.5 . . ?
H53A C53A H53B 109.5 . . ?
H53A C53A H53C 109.5 . . ?
H53B C53A H53C 109.5 . . ?
C51A C54A H54A 109.5 . . ?
C51A C54A H54B 109.5 . . ?
C51A C54A H54C 109.5 . . ?
H54A C54A H54B 109.5 . . ?
H54A C54A H54C 109.5 . . ?
H54B C54A H54C 109.5 . . ?
C25 Dy3 C27 50.8(3) . . ?
C25 Dy3 C28 50.0(3) . . ?
C25 Dy3 C29 30.5(3) . . ?
C25 Dy3 C33 129.1(4) . . ?
C25 Dy3 C34 120.6(4) . . ?
C25 Dy3 Sb2 132.6(3) . . ?
C25 Dy3 Sb3 110.2(3) . . ?
C26 Dy3 C25 31.3(3) . . ?
C26 Dy3 C27 30.6(3) . . ?
C26 Dy3 C28 50.5(3) . . ?
C26 Dy3 C29 51.4(4) . . ?
C26 Dy3 C33 152.0(4) . . ?
C26 Dy3 C34 127.2(4) . . ?
C26 Dy3 Sb2 122.8(3) . . ?
C26 Dy3 Sb3 80.8(3) . . ?
C27 Dy3 C28 30.8(3) . . ?
C27 Dy3 C29 51.3(3) . . ?
C27 Dy3 Sb2 92.4(2) . . ?
C27 Dy3 Sb3 80.6(2) . . ?
C28 Dy3 C29 30.5(3) . . ?
C28 Dy3 Sb2 82.8(2) . . ?
C28 Dy3 Sb3 109.4(2) . . ?
C29 Dy3 Sb2 105.1(3) . . ?
C29 Dy3 Sb3 130.0(2) . . ?
C31 Dy3 C25 78.6(4) . . ?
C31 Dy3 C26 103.2(4) . . ?
C31 Dy3 C27 129.3(4) . . ?
C31 Dy3 C28 117.2(4) . . ?
C31 Dy3 C29 86.8(4) . . ?
C31 Dy3 C33 51.0(4) . . ?
C31 Dy3 C34 50.5(4) . . ?
C31 Dy3 C35 30.7(4) . . ?
C31 Dy3 Sb2 129.4(3) . . ?
C31 Dy3 Sb3 122.0(4) . . ?
C32 Dy3 C25 101.0(4) . . ?
C32 Dy3 C26 130.5(4) . . ?
C32 Dy3 C27 146.7(4) . . ?
C32 Dy3 C28 119.7(4) . . ?
C32 Dy3 C29 95.4(4) . . ?
C32 Dy3 C31 30.9(4) . . ?
C32 Dy3 C33 30.9(4) . . ?
C32 Dy3 C34 50.6(4) . . ?
C32 Dy3 C35 51.2(4) . . ?
C32 Dy3 Sb2 98.5(3) . . ?
C32 Dy3 Sb3 131.0(3) . . ?
C33 Dy3 C27 175.6(4) . . ?
C33 Dy3 C28 144.9(4) . . ?
C33 Dy3 C29 125.8(4) . . ?
C33 Dy3 C34 30.7(4) . . ?
C33 Dy3 Sb2 85.2(3) . . ?
C33 Dy3 Sb3 102.9(3) . . ?
C34 Dy3 C27 153.7(4) . . ?
C34 Dy3 C28 167.6(3) . . ?
C34 Dy3 C29 137.1(3) . . ?
C34 Dy3 Sb2 105.2(3) . . ?
C34 Dy3 Sb3 80.7(3) . . ?
C35 Dy3 C25 89.7(4) . . ?
C35 Dy3 C26 101.2(4) . . ?
C35 Dy3 C27 131.7(3) . . ?
C35 Dy3 C28 138.6(4) . . ?
C35 Dy3 C29 109.6(4) . . ?
C35 Dy3 C33 51.4(4) . . ?
C35 Dy3 C34 30.9(4) . . ?
C35 Dy3 Sb2 135.0(3) . . ?
C35 Dy3 Sb3 91.3(3) . . ?
Sb2 Dy3 Sb3 87.54(8) . . ?
Dy3 C25 H25 116.4 . . ?
C26 C25 Dy3 74.3(6) . . ?
C26 C25 H25 125.3 . . ?
C29 C25 Dy3 75.9(6) . . ?
C29 C25 H25 125.3 . . ?
C29 C25 C26 109.5(9) . . ?
Dy3 C26 H26 116.2 . . ?
C25 C26 Dy3 74.4(6) . . ?
C25 C26 H26 126.4 . . ?
C27 C26 Dy3 75.3(6) . . ?
C27 C26 C25 107.2(10) . . ?
C27 C26 H26 126.4 . . ?
Dy3 C27 H27 116.8 . . ?
C26 C27 Dy3 74.1(6) . . ?
C26 C27 H27 126.3 . . ?
C26 C27 C28 107.3(9) . . ?
C28 C27 Dy3 75.0(6) . . ?
C28 C27 H27 126.3 . . ?
Dy3 C28 H28 117.5 . . ?
C27 C28 Dy3 74.2(6) . . ?
C27 C28 H28 125.1 . . ?
C29 C28 Dy3 74.9(6) . . ?
C29 C28 C27 109.7(10) . . ?
C29 C28 H28 125.1 . . ?
C25 C29 Dy3 73.6(6) . . ?
C25 C29 C28 106.2(10) . . ?
C25 C29 C30 126.3(10) . . ?
C28 C29 Dy3 74.5(6) . . ?
C28 C29 C30 127.3(11) . . ?
C30 C29 Dy3 120.5(8) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Dy3 C31 H31 117.1 . . ?
C32 C31 Dy3 74.3(7) . . ?
C32 C31 H31 125.6 . . ?
C35 C31 Dy3 74.9(7) . . ?
C35 C31 H31 125.6 . . ?
C35 C31 C32 108.9(12) . . ?
Dy3 C32 H32 115.9 . . ?
C31 C32 Dy3 74.8(7) . . ?
C31 C32 H32 125.8 . . ?
C31 C32 C33 108.4(13) . . ?
C33 C32 Dy3 75.6(6) . . ?
C33 C32 H32 125.8 . . ?
Dy3 C33 H33 117.2 . . ?
C32 C33 Dy3 73.5(7) . . ?
C32 C33 H33 126.5 . . ?
C32 C33 C34 106.9(12) . . ?
C34 C33 Dy3 75.0(6) . . ?
C34 C33 H33 126.5 . . ?
Dy3 C34 H34 118.4 . . ?
C33 C34 Dy3 74.3(7) . . ?
C33 C34 H34 125.5 . . ?
C33 C34 C35 108.9(12) . . ?
C35 C34 Dy3 73.6(7) . . ?
C35 C34 H34 125.5 . . ?
C31 C35 Dy3 74.4(8) . . ?
C31 C35 C34 106.9(12) . . ?
C31 C35 C36 125.9(14) . . ?
C34 C35 Dy3 75.5(7) . . ?
C34 C35 C36 127.1(14) . . ?
C36 C35 Dy3 117.5(8) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Dy3 Sb2 Dy2 135.49(5) . . ?
C46 Sb2 Dy2 111.3(7) . . ?
C46 Sb2 Dy3 109.0(7) . . ?
Dy3 Sb3 Dy1 132.71(5) . . ?
C55 Sb3 Dy1 109.3(4) . . ?
C55 Sb3 Dy3 114.2(4) . . ?
C48 C49 C50 120.0 . . ?
C48 C49 C53 119.2(17) . . ?
C50 C49 C53 120.8(17) . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 C46 120.0 . . ?
C48 C47 C52 120.1(14) . . ?
C46 C47 C52 119.9(14) . . ?
C47 C46 Sb2 116.1(10) . . ?
C51 C46 Sb2 123.8(10) . . ?
C51 C46 C47 120.0 . . ?
C46 C51 C50 120.0 . . ?
C46 C51 C54 122.8(15) . . ?
C50 C51 C54 117.2(15) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 H50 120.0 . . ?
C47 C52 H52D 109.5 . . ?
C47 C52 H52E 109.5 . . ?
C47 C52 H52F 109.5 . . ?
H52D C52 H52E 109.5 . . ?
H52D C52 H52F 109.5 . . ?
H52E C52 H52F 109.5 . . ?
C49 C53 H53D 109.5 . . ?
C49 C53 H53E 109.5 . . ?
C49 C53 H53F 109.5 . . ?
H53D C53 H53E 109.5 . . ?
H53D C53 H53F 109.5 . . ?
H53E C53 H53F 109.5 . . ?
C51 C54 H54D 109.5 . . ?
C51 C54 H54E 109.5 . . ?
C51 C54 H54F 109.5 . . ?
H54D C54 H54E 109.5 . . ?
H54D C54 H54F 109.5 . . ?
H54E C54 H54F 109.5 . . ?
C56 C55 Sb3 119.0(11) . . ?
C56 C55 C60 118.0(12) . . ?
C60 C55 Sb3 122.9(12) . . ?
C55 C56 C61 120.7(13) . . ?
C57 C56 C55 119.8(12) . . ?
C57 C56 C61 119.5(13) . . ?
C56 C57 H57 118.5 . . ?
C56 C57 C58 123.0(13) . . ?
C58 C57 H57 118.5 . . ?
C57 C58 C62 123.1(14) . . ?
C59 C58 C57 117.1(13) . . ?
C59 C58 C62 119.9(15) . . ?
C58 C59 H59 118.3 . . ?
C58 C59 C60 123.3(13) . . ?
C60 C59 H59 118.3 . . ?
C55 C60 C63 123.3(16) . . ?
C59 C60 C55 118.7(13) . . ?
C59 C60 C63 118.0(16) . . ?
C56 C61 H61D 109.5 . . ?
C56 C61 H61E 109.5 . . ?
C56 C61 H61F 109.5 . . ?
H61D C61 H61E 109.5 . . ?
H61D C61 H61F 109.5 . . ?
H61E C61 H61F 109.5 . . ?
C58 C62 H62D 109.5 . . ?
C58 C62 H62E 109.5 . . ?
C58 C62 H62F 109.5 . . ?
H62D C62 H62E 109.5 . . ?
H62D C62 H62F 109.5 . . ?
H62E C62 H62F 109.5 . . ?
C60 C63 H63D 109.5 . . ?
C60 C63 H63E 109.5 . . ?
C60 C63 H63F 109.5 . . ?
H63D C63 H63E 109.5 . . ?
H63D C63 H63F 109.5 . . ?
H63E C63 H63F 109.5 . . ?
C69 C64 H64 120.0 . . ?
C69 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C69 C70 119.6(9) . . ?
C68 C69 C64 120.0 . . ?
C68 C69 C70 120.4(9) . . ?
C69 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C67 H67 120.0 . . ?
C66 C67 C68 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 C1 C2 C3 68.9(7) . . . . ?
Dy1 C1 C5 C4 -68.2(7) . . . . ?
Dy1 C1 C5 C6 115.3(11) . . . . ?
Dy1 C2 C3 C4 67.9(7) . . . . ?
Dy1 C3 C4 C5 66.8(7) . . . . ?
Dy1 C4 C5 C1 67.2(7) . . . . ?
Dy1 C4 C5 C6 -116.3(11) . . . . ?
Dy1 C7 C8 C9 69.9(7) . . . . ?
Dy1 C7 C11 C10 -69.0(7) . . . . ?
Dy1 C7 C11 C12 113.0(12) . . . . ?
Dy1 C8 C9 C10 67.5(8) . . . . ?
Dy1 C9 C10 C11 66.0(7) . . . . ?
Dy1 C10 C11 C7 67.7(7) . . . . ?
Dy1 C10 C11 C12 -114.3(11) . . . . ?
Sb3A C55A C56A C57A 178(4) . . . . ?
Sb3A C55A C56A C61A -3(4) . . . . ?
C1 C2 C3 Dy1 -68.4(7) . . . . ?
C1 C2 C3 C4 -0.4(12) . . . . ?
C2 C1 C5 Dy1 67.5(7) . . . . ?
C2 C1 C5 C4 -0.7(11) . . . . ?
C2 C1 C5 C6 -177.2(10) . . . . ?
C2 C3 C4 Dy1 -66.8(7) . . . . ?
C2 C3 C4 C5 0.0(12) . . . . ?
C3 C4 C5 Dy1 -66.8(7) . . . . ?
C3 C4 C5 C1 0.4(11) . . . . ?
C3 C4 C5 C6 176.9(10) . . . . ?
C5 C1 C2 Dy1 -68.2(7) . . . . ?
C5 C1 C2 C3 0.7(12) . . . . ?
C7 C8 C9 Dy1 -68.8(7) . . . . ?
C7 C8 C9 C10 -1.4(12) . . . . ?
C8 C7 C11 Dy1 67.1(7) . . . . ?
C8 C7 C11 C10 -1.9(12) . . . . ?
C8 C7 C11 C12 -179.9(11) . . . . ?
C8 C9 C10 Dy1 -65.8(8) . . . . ?
C8 C9 C10 C11 0.2(12) . . . . ?
C9 C10 C11 Dy1 -66.6(7) . . . . ?
C9 C10 C11 C7 1.1(11) . . . . ?
C9 C10 C11 C12 179.1(11) . . . . ?
C11 C7 C8 Dy1 -67.8(7) . . . . ?
C11 C7 C8 C9 2.1(12) . . . . ?
C58A C59A C60A C55A 0.0 . . . . ?
C58A C59A C60A C63A 178(4) . . . . ?
C59A C58A C57A C56A 0.0 . . . . ?
C59A C60A C55A Sb3A -178(3) . . . . ?
C59A C60A C55A C56A 0.0 . . . . ?
C60A C55A C56A C57A 0.0 . . . . ?
C60A C55A C56A C61A 180(5) . . . . ?
C55A C56A C57A C58A 0.0 . . . . ?
C57A C58A C59A C60A 0.0 . . . . ?
C61A C56A C57A C58A -180(5) . . . . ?
C62A C58A C59A C60A 169(5) . . . . ?
C62A C58A C57A C56A -171(4) . . . . ?
C63A C60A C55A Sb3A 4(4) . . . . ?
C63A C60A C55A C56A -178(4) . . . . ?
Dy2 C13 C14 C15 68.7(7) . . . . ?
Dy2 C13 C17 C16 -68.7(7) . . . . ?
Dy2 C13 C17 C18 113.3(11) . . . . ?
Dy2 C14 C15 C16 67.1(7) . . . . ?
Dy2 C15 C16 C17 66.7(7) . . . . ?
Dy2 C16 C17 C13 68.2(7) . . . . ?
Dy2 C16 C17 C18 -113.8(11) . . . . ?
Dy2 C19 C20 C21 68.7(8) . . . . ?
Dy2 C19 C23 C22 -69.1(7) . . . . ?
Dy2 C19 C23 C24 111.1(10) . . . . ?
Dy2 C20 C21 C22 66.7(8) . . . . ?
Dy2 C21 C22 C23 66.3(7) . . . . ?
Dy2 C22 C23 C19 67.5(7) . . . . ?
Dy2 C22 C23 C24 -112.7(10) . . . . ?
Sb1 C37 C38 C39 179.5(7) . . . . ?
Sb1 C37 C38 C43 -1.1(14) . . . . ?
Sb1 C37 C42 C41 179.9(7) . . . . ?
Sb1 C37 C42 C45 -0.8(13) . . . . ?
Sb2A C46A C47A C48A 178(3) . . . . ?
Sb2A C46A C47A C52A -4(4) . . . . ?
Sb2A C46A C51A C50A -179(3) . . . . ?
Sb2A C46A C51A C54A -3(4) . . . . ?
C13 C14 C15 Dy2 -68.0(7) . . . . ?
C13 C14 C15 C16 -0.8(11) . . . . ?
C14 C13 C17 Dy2 67.3(7) . . . . ?
C14 C13 C17 C16 -1.4(11) . . . . ?
C14 C13 C17 C18 -179.4(11) . . . . ?
C14 C15 C16 Dy2 -66.7(7) . . . . ?
C14 C15 C16 C17 0.0(11) . . . . ?
C15 C16 C17 Dy2 -67.3(7) . . . . ?
C15 C16 C17 C13 0.9(11) . . . . ?
C15 C16 C17 C18 178.9(11) . . . . ?
C17 C13 C14 Dy2 -67.3(7) . . . . ?
C17 C13 C14 C15 1.4(11) . . . . ?
C19 C20 C21 Dy2 -67.1(7) . . . . ?
C19 C20 C21 C22 -0.4(12) . . . . ?
C20 C19 C23 Dy2 68.6(7) . . . . ?
C20 C19 C23 C22 -0.5(11) . . . . ?
C20 C19 C23 C24 179.7(10) . . . . ?
C20 C21 C22 Dy2 -66.2(8) . . . . ?
C20 C21 C22 C23 0.1(12) . . . . ?
C21 C22 C23 Dy2 -67.3(7) . . . . ?
C21 C22 C23 C19 0.2(11) . . . . ?
C21 C22 C23 C24 -180.0(10) . . . . ?
C23 C19 C20 Dy2 -68.2(7) . . . . ?
C23 C19 C20 C21 0.6(12) . . . . ?
C37 C38 C39 C40 0.8(16) . . . . ?
C38 C37 C42 C41 -0.1(14) . . . . ?
C38 C37 C42 C45 179.2(9) . . . . ?
C38 C39 C40 C41 -0.3(16) . . . . ?
C38 C39 C40 C44 179.0(10) . . . . ?
C39 C40 C41 C42 -0.4(16) . . . . ?
C40 C41 C42 C37 0.6(15) . . . . ?
C40 C41 C42 C45 -178.7(10) . . . . ?
C42 C37 C38 C39 -0.5(14) . . . . ?
C42 C37 C38 C43 178.9(10) . . . . ?
C43 C38 C39 C40 -178.7(10) . . . . ?
C44 C40 C41 C42 -179.7(10) . . . . ?
C46A C47A C48A C49A 1(4) . . . . ?
C47A C46A C51A C50A 1(4) . . . . ?
C47A C46A C51A C54A 177(4) . . . . ?
C47A C48A C49A C50A 0(5) . . . . ?
C47A C48A C49A C53A 179(3) . . . . ?
C48A C49A C50A C51A -1(5) . . . . ?
C49A C50A C51A C46A 1(5) . . . . ?
C49A C50A C51A C54A -175(4) . . . . ?
C51A C46A C47A C48A -2(4) . . . . ?
C51A C46A C47A C52A 176(3) . . . . ?
C52A C47A C48A C49A -176(3) . . . . ?
C53A C49A C50A C51A -180(4) . . . . ?
Dy3 C25 C26 C27 68.7(7) . . . . ?
Dy3 C25 C29 C28 -68.0(7) . . . . ?
Dy3 C25 C29 C30 116.1(11) . . . . ?
Dy3 C26 C27 C28 68.2(7) . . . . ?
Dy3 C27 C28 C29 67.1(8) . . . . ?
Dy3 C28 C29 C25 67.3(7) . . . . ?
Dy3 C28 C29 C30 -116.8(11) . . . . ?
Dy3 C31 C32 C33 68.8(8) . . . . ?
Dy3 C31 C35 C34 -69.1(7) . . . . ?
Dy3 C31 C35 C36 112.9(12) . . . . ?
Dy3 C32 C33 C34 68.1(8) . . . . ?
Dy3 C33 C34 C35 66.0(8) . . . . ?
Dy3 C34 C35 C31 68.3(8) . . . . ?
Dy3 C34 C35 C36 -113.7(11) . . . . ?
C25 C26 C27 Dy3 -68.1(7) . . . . ?
C25 C26 C27 C28 0.1(11) . . . . ?
C26 C25 C29 Dy3 67.4(7) . . . . ?
C26 C25 C29 C28 -0.6(12) . . . . ?
C26 C25 C29 C30 -176.5(11) . . . . ?
C26 C27 C28 Dy3 -67.6(7) . . . . ?
C26 C27 C28 C29 -0.4(12) . . . . ?
C27 C28 C29 Dy3 -66.7(7) . . . . ?
C27 C28 C29 C25 0.6(12) . . . . ?
C27 C28 C29 C30 176.5(11) . . . . ?
C29 C25 C26 Dy3 -68.4(8) . . . . ?
C29 C25 C26 C27 0.3(12) . . . . ?
C31 C32 C33 Dy3 -68.2(8) . . . . ?
C31 C32 C33 C34 -0.1(13) . . . . ?
C32 C31 C35 Dy3 67.2(9) . . . . ?
C32 C31 C35 C34 -1.9(13) . . . . ?
C32 C31 C35 C36 -179.9(11) . . . . ?
C32 C33 C34 Dy3 -67.1(8) . . . . ?
C32 C33 C34 C35 -1.1(13) . . . . ?
C33 C34 C35 Dy3 -66.5(8) . . . . ?
C33 C34 C35 C31 1.8(13) . . . . ?
C33 C34 C35 C36 179.8(11) . . . . ?
C35 C31 C32 Dy3 -67.5(9) . . . . ?
C35 C31 C32 C33 1.3(14) . . . . ?
Sb2 C46 C51 C50 -176.7(17) . . . . ?
Sb2 C46 C51 C54 3(2) . . . . ?
Sb3 C55 C56 C57 179.0(12) . . . . ?
Sb3 C55 C56 C61 -0.8(18) . . . . ?
Sb3 C55 C60 C59 -177.5(12) . . . . ?
Sb3 C55 C60 C63 2(2) . . . . ?
C49 C48 C47 C46 0.0 . . . . ?
C49 C48 C47 C52 -178(2) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C48 C47 C46 Sb2 177.0(15) . . . . ?
C48 C47 C46 C51 0.0 . . . . ?
C47 C46 C51 C50 0.0 . . . . ?
C47 C46 C51 C54 -180(3) . . . . ?
C46 C51 C50 C49 0.0 . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C52 C47 C46 Sb2 -4.6(19) . . . . ?
C52 C47 C46 C51 178(2) . . . . ?
C53 C49 C48 C47 179(2) . . . . ?
C53 C49 C50 C51 -179(2) . . . . ?
C54 C51 C50 C49 180(2) . . . . ?
C55 C56 C57 C58 -1(2) . . . . ?
C56 C55 C60 C59 1(2) . . . . ?
C56 C55 C60 C63 -179.6(16) . . . . ?
C56 C57 C58 C59 -1(2) . . . . ?
C56 C57 C58 C62 179.9(15) . . . . ?
C57 C58 C59 C60 2(2) . . . . ?
C58 C59 C60 C55 -3(2) . . . . ?
C58 C59 C60 C63 178.1(16) . . . . ?
C60 C55 C56 C57 0.2(18) . . . . ?
C60 C55 C56 C61 -179.6(15) . . . . ?
C61 C56 C57 C58 179.3(16) . . . . ?
C62 C58 C59 C60 -178.2(15) . . . . ?
C64 C69 C68 C67 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C68 C67 C66 C65 0.0 . . . . ?
C67 C66 C65 C64 0.0 . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C65 C64 C69 C70 -179.3(10) . . . . ?
C70 C69 C68 C67 179.3(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Toluene
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
_exptl_crystal_preparation       ', Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_aral270_rered_xprep
_database_code_depnum_ccdc_archive 'CCDC 1484573'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_audit_creation_date             2015-07-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        1-Y
_chemical_formula_moiety         'C63 H75 Sb3 Y3, C7 H8'
_chemical_formula_sum            'C70 H83 Sb3 Y3'
_chemical_formula_weight         1556.34
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         C9N3H12O2Na1.H2O2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   15.1052(2)
_cell_length_b                   18.7715(2)
_cell_length_c                   24.1263(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.4370(10)
_cell_angle_gamma                90
_cell_volume                     6653.68(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    50976
_cell_measurement_temperature    150.02(11)
_cell_measurement_theta_max      28.2270
_cell_measurement_theta_min      3.3850
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.824
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3092
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            135283
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.390
_diffrn_ambient_temperature      150.02(11)
_diffrn_detector_area_resol_mean 8.0714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -3.00   88.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000  150.0000 91

#__ type_ start__ end____ width___ exp.time_
  2 omega   -3.00   88.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000  -60.0000 91

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00   61.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000    0.0000 81

#__ type_ start__ end____ width___ exp.time_
  4 omega  -11.00   89.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   77.0000   30.0000 100

#__ type_ start__ end____ width___ exp.time_
  5 omega  -20.00   61.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000 -120.0000 81

#__ type_ start__ end____ width___ exp.time_
  6 omega  -50.00   40.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000  150.0000 90

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00   61.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000   90.0000 81

#__ type_ start__ end____ width___ exp.time_
  8 omega  -50.00   40.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000 -120.0000 90

#__ type_ start__ end____ width___ exp.time_
  9 omega  -11.00   89.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   77.0000 -150.0000 100

#__ type_ start__ end____ width___ exp.time_
 10 omega  -94.00  -35.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  -30.0000 59

#__ type_ start__ end____ width___ exp.time_
 11 omega  -94.00  -35.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000   60.0000 59

#__ type_ start__ end____ width___ exp.time_
 12 omega  -94.00  -35.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  -60.0000 59

#__ type_ start__ end____ width___ exp.time_
 13 omega  -20.00   61.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000  150.0000 81

#__ type_ start__ end____ width___ exp.time_
 14 omega  -20.00   61.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -99.0000  -60.0000 81

#__ type_ start__ end____ width___ exp.time_
 15 omega  -11.00   89.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   77.0000  -30.0000 100

#__ type_ start__ end____ width___ exp.time_
 16 omega  -50.00   40.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000    0.0000 90

#__ type_ start__ end____ width___ exp.time_
 17 omega  -94.00  -34.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  178.0000   30.0000 60

#__ type_ start__ end____ width___ exp.time_
 18 omega  -54.00   92.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000 -150.0000 146

#__ type_ start__ end____ width___ exp.time_
 19 omega  -54.00   92.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000 -120.0000 146

#__ type_ start__ end____ width___ exp.time_
 20 omega  -54.00   92.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000  -90.0000 146

#__ type_ start__ end____ width___ exp.time_
 21 omega  -54.00   58.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000  -60.0000 112

#__ type_ start__ end____ width___ exp.time_
 22 omega  -54.00   92.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       18.8601    0.0000 -180.0000 146
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0000037000
_diffrn_orient_matrix_UB_12      -0.0348225000
_diffrn_orient_matrix_UB_13      -0.0114229000
_diffrn_orient_matrix_UB_21      0.0482758000
_diffrn_orient_matrix_UB_22      0.0000123000
_diffrn_orient_matrix_UB_23      0.0069926000
_diffrn_orient_matrix_UB_31      0.0000480000
_diffrn_orient_matrix_UB_32      -0.0146895000
_diffrn_orient_matrix_UB_33      0.0270920000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                12910
_reflns_number_total             13580
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details 
;
 Flack x determined using 6090 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   -0.0240(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         13580
_refine_ls_number_restraints     259
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0213
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0208P)²+5.1206P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0445
_refine_ls_wR_factor_ref         0.0455
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C37A-C43A
 2.66 with sigma of 0.02
 C41A-C45A
 2.5 with sigma of 0.02
 C37A-C45A
 2.54 with sigma of 0.02
 C53A-C48A = C39A-C44A
 2.52 with sigma of 0.02
 C41A-C44A
 2.52 with sigma of 0.02
 C43A-C39A
 2.52 with sigma of 0.02
 C37A-C43A
 2.52 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C63A) \\sim Ueq, Uanis(C61A) \\sim Ueq, Uanis(C62A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C55A) \\sim Ueq, Uanis(C56A) \\sim Ueq, Uanis(C60A) \\sim Ueq,
Uanis(C59A) \\sim Ueq, Uanis(C58A) \\sim Ueq, Uanis(C57A) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C45A) = Uanis(C42A) = Uanis(C37A) = Uanis(C38A) = Uanis(C43A) =
Uanis(C39A) = Uanis(C41A) = Uanis(C40A) = Uanis(C44A)
4. Rigid body (RIGU) restrains
 C46, C47, C48, C49, C50, C51, C52, C53, C54
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Sb1, C37, C38, C39, C40, C41, C42, C43, C44, C45
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46A, C51A, C52A, C53A, C54A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Sb1A, C37A, C42A, C43A, C44A, C45A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C59A, C55A, C56A, C57A, C58A, C60A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(Sb2A)=Sof(C50A)=Sof(H50A)=Sof(C49A)=Sof(C48A)=Sof(H48A)=Sof(C47A)=
 Sof(C46A)=Sof(C51A)=Sof(C52A)=Sof(H52D)=Sof(H52E)=Sof(H52F)=Sof(C53A)=
 Sof(H53D)=Sof(H53E)=Sof(H53F)=Sof(C54A)=Sof(H54D)=Sof(H54E)=Sof(H54F)=1-FVAR(1)
 Sof(Sb2)=Sof(C46)=Sof(C47)=Sof(C48)=Sof(H48)=Sof(C49)=Sof(C50)=Sof(H50)=
 Sof(C51)=Sof(C52)=Sof(H52A)=Sof(H52B)=Sof(H52C)=Sof(C53)=Sof(H53A)=Sof(H53B)=
 Sof(H53C)=Sof(C54)=Sof(H54A)=Sof(H54B)=Sof(H54C)=FVAR(1)
 Sof(Sb3A)=Sof(C57A)=Sof(H57A)=Sof(C58A)=Sof(H59B)=Sof(C60A)=Sof(C55A)=
 Sof(C56A)=Sof(C61A)=Sof(H61D)=Sof(H61E)=Sof(H61F)=Sof(C62A)=Sof(H62D)=
 Sof(H62E)=Sof(H62F)=Sof(C63A)=Sof(H63D)=Sof(H63E)=Sof(H63F)=1-FVAR(2)
 Sof(Sb3)=Sof(C55)=Sof(C56)=Sof(C57)=Sof(H57)=Sof(C58)=Sof(C60)=Sof(C61)=
 Sof(H61A)=Sof(H61B)=Sof(H61C)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63)=
 Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(H59A)=FVAR(2)
 Sof(Sb1A)=Sof(C41A)=Sof(H41A)=Sof(C40A)=Sof(C39A)=Sof(H39A)=Sof(C38A)=
 Sof(C37A)=Sof(C42A)=Sof(C43A)=Sof(H43D)=Sof(H43E)=Sof(H43F)=Sof(C44A)=
 Sof(H44D)=Sof(H44E)=Sof(H44F)=Sof(C45A)=Sof(H45D)=Sof(H45E)=Sof(H45F)=1-FVAR(3)
 Sof(Sb1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(H39)=Sof(C40)=Sof(C41)=Sof(H41)=
 Sof(C42)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=Sof(C44)=Sof(H44A)=Sof(H44B)=
 Sof(H44C)=Sof(C45)=Sof(H45A)=Sof(H45B)=Sof(H45C)=FVAR(3)
6.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34),
 C39(H39), C41(H41), C48(H48), C50(H50), C57(H57), C41A(H41A), C39A(H39A),
 C50A(H50A), C48A(H48A), C57A(H57A), C59A(H59A), C59A(H59B), C67(H67), C68(H68),
  C64(H64), C65(H65), C66(H66)
6.b Fitted hexagon refined as free rotating group:
 C41A(C40A,C39A,C38A,C37A,C42A), C50A(C49A,C48A,C47A,C46A,C51A), C57A(C58A,
 C59A,C60A,C55A,C56A), C67(C68,C69,C64,C65,C66)
6.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C24(H24A,H24B,
 H24C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C43(H43A,H43B,H43C), C44(H44A,
 H44B,H44C), C45(H45A,H45B,H45C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C54(H54A,H54B,H54C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,H63B,
 H63C), C43A(H43D,H43E,H43F), C44A(H44D,H44E,H44F), C45A(H45D,H45E,H45F),
 C52A(H52D,H52E,H52F), C53A(H53D,H53E,H53F), C54A(H54D,H54E,H54F), C61A(H61D,
 H61E,H61F), C62A(H62D,H62E,H62F), C63A(H63D,H63E,H63F), C70(H70A,H70B,H70C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Sb1 Sb 0.82210(3) 0.60295(3) 0.41799(2) 0.02669(15) Uani 0.898(2) 1 d . U P A 1
Sb2 Sb 0.67912(4) 0.44852(2) 0.51273(5) 0.0264(3) Uani 0.632(3) 1 d . . P A 1
Sb3 Sb 0.83492(5) 0.33815(4) 0.40953(2) 0.0262(2) Uani 0.729(3) 1 d . . P B 1
Y1 Y 0.92814(3) 0.47718(2) 0.37239(2) 0.02576(9) Uani 1 1 d . . . . .
Y2 Y 0.75090(3) 0.60914(2) 0.53175(2) 0.02319(9) Uani 1 1 d . . . . .
Y3 Y 0.76933(3) 0.29757(2) 0.52071(2) 0.02553(9) Uani 1 1 d . . . . .
C1 C 1.1021(3) 0.5031(3) 0.4018(2) 0.0375(10) Uani 1 1 d . . . . .
H1 H 1.1270 0.5246 0.3741 0.045 Uiso 1 1 calc R . . . .
C2 C 1.0646(3) 0.5389(2) 0.4423(2) 0.0356(10) Uani 1 1 d . . . . .
H2 H 1.0605 0.5880 0.4463 0.043 Uiso 1 1 calc R . . . .
C3 C 1.0347(3) 0.4875(2) 0.47546(18) 0.0334(10) Uani 1 1 d . . . . .
H3 H 1.0072 0.4964 0.5055 0.040 Uiso 1 1 calc R . . . .
C4 C 1.0531(3) 0.4206(2) 0.45612(18) 0.0312(9) Uani 1 1 d . . . . .
H4 H 1.0396 0.3773 0.4709 0.037 Uiso 1 1 calc R . . . .
C5 C 1.0954(3) 0.4293(2) 0.41035(18) 0.0331(10) Uani 1 1 d . . . . .
C6 C 1.1331(4) 0.3718(3) 0.3794(2) 0.0513(13) Uani 1 1 d . . . . .
H6A H 1.1332 0.3878 0.3416 0.077 Uiso 1 1 calc GR . . . .
H6B H 1.0961 0.3299 0.3773 0.077 Uiso 1 1 calc GR . . . .
H6C H 1.1943 0.3610 0.3995 0.077 Uiso 1 1 calc GR . . . .
C7 C 0.9681(4) 0.4698(3) 0.27346(19) 0.0423(12) Uani 1 1 d . . . . .
H7 H 1.0288 0.4615 0.2733 0.051 Uiso 1 1 calc R . . . .
C8 C 0.9017(4) 0.4173(3) 0.27289(19) 0.0470(13) Uani 1 1 d . . . . .
H8 H 0.9108 0.3683 0.2730 0.056 Uiso 1 1 calc R . . . .
C9 C 0.8205(4) 0.4513(3) 0.27220(18) 0.0451(13) Uani 1 1 d . . . . .
H9 H 0.7653 0.4291 0.2717 0.054 Uiso 1 1 calc R . . . .
C10 C 0.8354(3) 0.5249(3) 0.27240(18) 0.0422(12) Uani 1 1 d . . . . .
H10 H 0.7915 0.5599 0.2715 0.051 Uiso 1 1 calc R . . . .
C11 C 0.9274(4) 0.5371(3) 0.27424(18) 0.0400(11) Uani 1 1 d . . . . .
C12 C 0.9730(5) 0.6079(3) 0.2743(2) 0.0631(17) Uani 1 1 d . . . . .
H12A H 1.0363 0.6035 0.2929 0.095 Uiso 1 1 calc GR . . . .
H12B H 0.9447 0.6420 0.2943 0.095 Uiso 1 1 calc GR . . . .
H12C H 0.9673 0.6236 0.2358 0.095 Uiso 1 1 calc GR . . . .
C13 C 0.8519(3) 0.6486(3) 0.63013(19) 0.0421(12) Uani 1 1 d . . . . .
H13 H 0.8242 0.6755 0.6537 0.051 Uiso 1 1 calc R . . . .
C14 C 0.8573(3) 0.5740(3) 0.63003(17) 0.0356(10) Uani 1 1 d . . . . .
H14 H 0.8330 0.5430 0.6527 0.043 Uiso 1 1 calc R . . . .
C15 C 0.9057(3) 0.5548(2) 0.58964(17) 0.0300(9) Uani 1 1 d . . . . .
H15 H 0.9198 0.5086 0.5809 0.036 Uiso 1 1 calc R . . . .
C16 C 0.9295(3) 0.6170(2) 0.56456(19) 0.0348(10) Uani 1 1 d . . . . .
H16 H 0.9625 0.6190 0.5365 0.042 Uiso 1 1 calc R . . . .
C17 C 0.8949(3) 0.6762(2) 0.5891(2) 0.0402(12) Uani 1 1 d . . . . .
C18 C 0.9051(5) 0.7522(3) 0.5767(4) 0.079(2) Uani 1 1 d . . . . .
H18A H 0.8603 0.7794 0.5900 0.118 Uiso 1 1 calc GR . . . .
H18B H 0.8967 0.7587 0.5364 0.118 Uiso 1 1 calc GR . . . .
H18C H 0.9648 0.7680 0.5957 0.118 Uiso 1 1 calc GR . . . .
C19 C 0.6622(3) 0.7172(2) 0.5580(2) 0.0363(11) Uani 1 1 d . . . . .
H19 H 0.6938 0.7465 0.5870 0.044 Uiso 1 1 calc R . . . .
C20 C 0.6585(3) 0.7262(3) 0.5003(2) 0.0445(12) Uani 1 1 d . . . . .
H20 H 0.6875 0.7616 0.4842 0.053 Uiso 1 1 calc R . . . .
C21 C 0.6029(3) 0.6719(3) 0.4710(2) 0.0458(13) Uani 1 1 d . . . . .
H21 H 0.5881 0.6651 0.4318 0.055 Uiso 1 1 calc R . . . .
C22 C 0.5738(3) 0.6301(2) 0.5110(2) 0.0416(12) Uani 1 1 d . . . . .
H22 H 0.5359 0.5905 0.5028 0.050 Uiso 1 1 calc R . . . .
C23 C 0.6112(3) 0.6575(2) 0.5660(2) 0.0367(10) Uani 1 1 d . . . . .
C24 C 0.5971(4) 0.6292(3) 0.6218(2) 0.0541(14) Uani 1 1 d . . . . .
H24A H 0.6547 0.6156 0.6456 0.081 Uiso 1 1 calc GR . . . .
H24B H 0.5576 0.5885 0.6148 0.081 Uiso 1 1 calc GR . . . .
H24C H 0.5701 0.6656 0.6405 0.081 Uiso 1 1 calc GR . . . .
C25 C 0.9018(3) 0.2379(2) 0.5948(2) 0.0396(11) Uani 1 1 d . . . . .
H25 H 0.9006 0.1884 0.5971 0.048 Uiso 1 1 calc R . . . .
C26 C 0.9432(3) 0.2775(2) 0.5584(2) 0.0354(10) Uani 1 1 d . . . . .
H26 H 0.9740 0.2590 0.5324 0.043 Uiso 1 1 calc R . . . .
C27 C 0.9301(3) 0.3498(2) 0.56799(19) 0.0328(10) Uani 1 1 d . . . . .
H27 H 0.9501 0.3878 0.5494 0.039 Uiso 1 1 calc R . . . .
C28 C 0.8812(3) 0.3546(2) 0.61081(18) 0.0336(10) Uani 1 1 d . . . . .
H28 H 0.8642 0.3968 0.6257 0.040 Uiso 1 1 calc R . . . .
C29 C 0.8620(3) 0.2857(2) 0.62749(19) 0.0369(11) Uani 1 1 d . . . . .
C30 C 0.8151(4) 0.2674(3) 0.6739(2) 0.0591(15) Uani 1 1 d . . . . .
H30A H 0.7736 0.2287 0.6618 0.089 Uiso 1 1 calc GR . . . .
H30B H 0.7821 0.3081 0.6823 0.089 Uiso 1 1 calc GR . . . .
H30C H 0.8596 0.2536 0.7075 0.089 Uiso 1 1 calc GR . . . .
C31 C 0.7015(4) 0.1734(3) 0.5334(3) 0.0616(18) Uani 1 1 d . . . . .
H31 H 0.7326 0.1463 0.5641 0.074 Uiso 1 1 calc R . . . .
C32 C 0.6320(4) 0.2217(3) 0.5351(3) 0.0610(17) Uani 1 1 d . . . . .
H32 H 0.6094 0.2329 0.5667 0.073 Uiso 1 1 calc R . . . .
C33 C 0.6027(3) 0.2501(3) 0.4800(2) 0.0483(13) Uani 1 1 d . . . . .
H33 H 0.5568 0.2836 0.4683 0.058 Uiso 1 1 calc R . . . .
C34 C 0.6550(3) 0.2189(2) 0.4465(2) 0.0413(12) Uani 1 1 d . . . . .
H34 H 0.6495 0.2278 0.4080 0.050 Uiso 1 1 calc R . . . .
C35 C 0.7171(3) 0.1718(3) 0.4796(3) 0.0515(14) Uani 1 1 d . . . . .
C36 C 0.7855(5) 0.1261(3) 0.4594(4) 0.104(3) Uani 1 1 d . . . . .
H36A H 0.8440 0.1311 0.4851 0.156 Uiso 1 1 calc GR . . . .
H36B H 0.7892 0.1410 0.4220 0.156 Uiso 1 1 calc GR . . . .
H36C H 0.7667 0.0772 0.4583 0.156 Uiso 1 1 calc GR . . . .
C37 C 0.7445(4) 0.6678(3) 0.3494(2) 0.0267(11) Uani 0.898(2) 1 d . U P A 1
C38 C 0.6614(4) 0.6410(3) 0.3190(3) 0.0312(12) Uani 0.898(2) 1 d . U P A 1
C39 C 0.6094(5) 0.6802(4) 0.2745(3) 0.0405(14) Uani 0.898(2) 1 d . U P A 1
H39 H 0.5541 0.6616 0.2545 0.049 Uiso 0.898(2) 1 calc R . P A 1
C40 C 0.6369(5) 0.7458(4) 0.2589(3) 0.0423(15) Uani 0.898(2) 1 d . U P A 1
C41 C 0.7191(5) 0.7713(3) 0.2887(3) 0.0413(14) Uani 0.898(2) 1 d . U P A 1
H41 H 0.7392 0.8149 0.2781 0.050 Uiso 0.898(2) 1 calc R . P A 1
C42 C 0.7741(4) 0.7347(3) 0.3343(2) 0.0328(12) Uani 0.898(2) 1 d . U P A 1
C43 C 0.6271(4) 0.5682(3) 0.3328(3) 0.0460(14) Uani 0.898(2) 1 d . U P A 1
H43A H 0.6670 0.5318 0.3248 0.069 Uiso 0.898(2) 1 calc GR . P A 1
H43B H 0.5668 0.5605 0.3099 0.069 Uiso 0.898(2) 1 calc GR . P A 1
H43C H 0.6259 0.5664 0.3724 0.069 Uiso 0.898(2) 1 calc GR . P A 1
C44 C 0.5787(5) 0.7878(4) 0.2099(3) 0.068(2) Uani 0.898(2) 1 d . U P A 1
H44A H 0.5165 0.7725 0.2037 0.102 Uiso 0.898(2) 1 calc GR . P A 1
H44B H 0.6002 0.7799 0.1760 0.102 Uiso 0.898(2) 1 calc GR . P A 1
H44C H 0.5826 0.8377 0.2191 0.102 Uiso 0.898(2) 1 calc GR . P A 1
C45 C 0.8620(4) 0.7689(3) 0.3643(2) 0.0466(14) Uani 0.898(2) 1 d . U P A 1
H45A H 0.9119 0.7386 0.3613 0.070 Uiso 0.898(2) 1 calc GR . P A 1
H45B H 0.8621 0.7758 0.4038 0.070 Uiso 0.898(2) 1 calc GR . P A 1
H45C H 0.8682 0.8141 0.3470 0.070 Uiso 0.898(2) 1 calc GR . P A 1
C46 C 0.5452(8) 0.4389(9) 0.5305(6) 0.029(3) Uani 0.632(3) 1 d . U P A 1
C47 C 0.5403(8) 0.4306(7) 0.5880(5) 0.034(3) Uani 0.632(3) 1 d . U P A 1
C48 C 0.4564(11) 0.4289(8) 0.6009(6) 0.050(3) Uani 0.632(3) 1 d . U P A 1
H48 H 0.4542 0.4262 0.6390 0.060 Uiso 0.632(3) 1 calc R . P A 1
C49 C 0.3750(10) 0.4310(10) 0.5602(9) 0.051(4) Uani 0.632(3) 1 d . U P A 1
C50 C 0.3803(10) 0.4374(11) 0.5046(7) 0.043(4) Uani 0.632(3) 1 d . U P A 1
H50 H 0.3264 0.4382 0.4766 0.052 Uiso 0.632(3) 1 calc R . P A 1
C51 C 0.4626(11) 0.4427(10) 0.4879(5) 0.032(3) Uani 0.632(3) 1 d . U P A 1
C52 C 0.6273(6) 0.4245(5) 0.6341(4) 0.051(2) Uani 0.632(3) 1 d . U P A 1
H52A H 0.6654 0.4650 0.6322 0.076 Uiso 0.632(3) 1 calc GR . P A 1
H52B H 0.6589 0.3817 0.6284 0.076 Uiso 0.632(3) 1 calc GR . P A 1
H52C H 0.6128 0.4229 0.6707 0.076 Uiso 0.632(3) 1 calc GR . P A 1
C53 C 0.2831(9) 0.4251(10) 0.5754(7) 0.091(5) Uani 0.632(3) 1 d . U P A 1
H53A H 0.2562 0.3798 0.5628 0.137 Uiso 0.632(3) 1 calc GR . P A 1
H53B H 0.2441 0.4626 0.5569 0.137 Uiso 0.632(3) 1 calc GR . P A 1
H53C H 0.2912 0.4290 0.6159 0.137 Uiso 0.632(3) 1 calc GR . P A 1
C54 C 0.4609(7) 0.4520(6) 0.4259(4) 0.052(2) Uani 0.632(3) 1 d . U P A 1
H54A H 0.4866 0.4106 0.4123 0.078 Uiso 0.632(3) 1 calc GR . P A 1
H54B H 0.4959 0.4932 0.4211 0.078 Uiso 0.632(3) 1 calc GR . P A 1
H54C H 0.3992 0.4581 0.4048 0.078 Uiso 0.632(3) 1 calc GR . P A 1
C55 C 0.7677(6) 0.2788(5) 0.3329(3) 0.0267(19) Uani 0.729(3) 1 d . . P B 1
C56 C 0.8106(5) 0.2249(5) 0.3088(4) 0.035(2) Uani 0.729(3) 1 d . . P B 1
C57 C 0.7605(6) 0.1923(5) 0.2590(4) 0.042(2) Uani 0.729(3) 1 d . . P B 1
H57 H 0.7894 0.1577 0.2419 0.050 Uiso 0.729(3) 1 calc R . P B 1
C58 C 0.6718(6) 0.2082(5) 0.2340(3) 0.035(2) Uani 0.729(3) 1 d . . P B 1
C60 C 0.6769(7) 0.2962(5) 0.3069(4) 0.033(3) Uani 0.729(3) 1 d . . P B 1
C61 C 0.9073(5) 0.2029(5) 0.3329(3) 0.052(2) Uani 0.729(3) 1 d . . P B 1
H61A H 0.9117 0.1793 0.3688 0.079 Uiso 0.729(3) 1 calc GR . P B 1
H61B H 0.9457 0.2442 0.3385 0.079 Uiso 0.729(3) 1 calc GR . P B 1
H61C H 0.9264 0.1709 0.3069 0.079 Uiso 0.729(3) 1 calc GR . P B 1
C62 C 0.6217(6) 0.1712(5) 0.1813(4) 0.0395(19) Uani 0.729(3) 1 d . . P B 1
H62A H 0.5863 0.1330 0.1915 0.059 Uiso 0.729(3) 1 calc GR . P B 1
H62B H 0.6644 0.1524 0.1613 0.059 Uiso 0.729(3) 1 calc GR . P B 1
H62C H 0.5821 0.2045 0.1573 0.059 Uiso 0.729(3) 1 calc GR . P B 1
C63 C 0.6256(5) 0.3539(4) 0.3330(3) 0.0389(17) Uani 0.729(3) 1 d . . P B 1
H63A H 0.6552 0.3991 0.3325 0.058 Uiso 0.729(3) 1 calc GR . P B 1
H63B H 0.6258 0.3414 0.3716 0.058 Uiso 0.729(3) 1 calc GR . P B 1
H63C H 0.5639 0.3571 0.3111 0.058 Uiso 0.729(3) 1 calc GR . P B 1
Sb1A Sb 0.7793(3) 0.5690(3) 0.41193(12) 0.0319(15) Uani 0.102(2) 1 d . U P A 2
Sb2A Sb 0.68938(6) 0.44957(5) 0.54714(10) 0.0286(5) Uani 0.368(3) 1 d . . P A 2
Sb3A Sb 0.79503(14) 0.36977(12) 0.40726(5) 0.0286(6) Uani 0.271(3) 1 d . . P A
2
C41A C 0.739(3) 0.762(2) 0.303(2) 0.031(5) Uani 0.102(2) 1 d D . P A 2
H41A H 0.7733 0.8032 0.3010 0.037 Uiso 0.102(2) 1 calc R . P A 2
C40A C 0.656(3) 0.753(2) 0.265(2) 0.031(5) Uani 0.102(2) 1 d G . P A 2
C39A C 0.605(3) 0.692(2) 0.268(3) 0.031(5) Uani 0.102(2) 1 d DG . P A 2
H39A H 0.5487 0.6855 0.2430 0.037 Uiso 0.102(2) 1 calc R . P A 2
C38A C 0.638(3) 0.640(2) 0.309(2) 0.031(5) Uani 0.102(2) 1 d G . P A 2
C37A C 0.722(3) 0.6498(18) 0.3471(17) 0.031(5) Uani 0.102(2) 1 d DG U P A 2
C42A C 0.772(2) 0.7108(19) 0.3440(16) 0.031(5) Uani 0.102(2) 1 d G U P A 2
C43A C 0.586(2) 0.5670(17) 0.3045(19) 0.031(5) Uani 0.102(2) 1 d D U P A 2
H43D H 0.6281 0.5291 0.3023 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H43E H 0.5378 0.5668 0.2708 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H43F H 0.5618 0.5603 0.3374 0.046 Uiso 0.102(2) 1 calc GR . P A 2
C44A C 0.616(3) 0.806(2) 0.2183(19) 0.031(5) Uani 0.102(2) 1 d D U P A 2
H44D H 0.5514 0.8095 0.2143 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H44E H 0.6283 0.7902 0.1830 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H44F H 0.6434 0.8519 0.2281 0.046 Uiso 0.102(2) 1 calc GR . P A 2
C45A C 0.861(2) 0.724(2) 0.3881(16) 0.031(5) Uani 0.102(2) 1 d D U P A 2
H45D H 0.8930 0.6802 0.3975 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H45E H 0.8477 0.7446 0.4218 0.046 Uiso 0.102(2) 1 calc GR . P A 2
H45F H 0.8982 0.7568 0.3727 0.046 Uiso 0.102(2) 1 calc GR . P A 2
C50A C 0.3913(11) 0.4433(15) 0.4931(6) 0.029(6) Uani 0.368(3) 1 d . . P A 2
H50A H 0.3500 0.4443 0.4579 0.034 Uiso 0.368(3) 1 calc R . P A 2
C49A C 0.3600(8) 0.4394(12) 0.5428(7) 0.029(5) Uani 0.368(3) 1 d G . P A 2
C48A C 0.4217(11) 0.4378(9) 0.5955(6) 0.030(4) Uani 0.368(3) 1 d DG . P A 2
H48A H 0.4008 0.4352 0.6288 0.036 Uiso 0.368(3) 1 calc R . P A 2
C47A C 0.5147(10) 0.4400(10) 0.5984(6) 0.029(5) Uani 0.368(3) 1 d G . P A 2
C46A C 0.5459(9) 0.4439(14) 0.5486(8) 0.026(5) Uani 0.368(3) 1 d G U P A 2
C51A C 0.4842(12) 0.4455(16) 0.4960(6) 0.028(5) Uani 0.368(3) 1 d G U P A 2
C52A C 0.5796(10) 0.4352(9) 0.6573(6) 0.047(4) Uani 0.368(3) 1 d . U P A 2
H52D H 0.5449 0.4328 0.6860 0.071 Uiso 0.368(3) 1 calc GR . P A 2
H52E H 0.6180 0.4765 0.6637 0.071 Uiso 0.368(3) 1 calc GR . P A 2
H52F H 0.6165 0.3932 0.6593 0.071 Uiso 0.368(3) 1 calc GR . P A 2
C53A C 0.2581(11) 0.4353(13) 0.5428(9) 0.056(5) Uani 0.368(3) 1 d D U P A 2
H53D H 0.2346 0.3894 0.5290 0.085 Uiso 0.368(3) 1 calc GR . P A 2
H53E H 0.2256 0.4718 0.5185 0.085 Uiso 0.368(3) 1 calc GR . P A 2
H53F H 0.2506 0.4420 0.5809 0.085 Uiso 0.368(3) 1 calc GR . P A 2
C54A C 0.5116(12) 0.4496(10) 0.4393(6) 0.048(4) Uani 0.368(3) 1 d . U P A 2
H54D H 0.5659 0.4221 0.4413 0.072 Uiso 0.368(3) 1 calc GR . P A 2
H54E H 0.5229 0.4984 0.4310 0.072 Uiso 0.368(3) 1 calc GR . P A 2
H54F H 0.4634 0.4310 0.4096 0.072 Uiso 0.368(3) 1 calc GR . P A 2
C57A C 0.7821(6) 0.2084(10) 0.2718(9) 0.035(5) Uani 0.271(3) 1 d . U P A 2
H57A H 0.8220 0.1771 0.2602 0.042 Uiso 0.271(3) 1 calc R . P B 2
C58A C 0.6923(7) 0.2131(8) 0.2410(6) 0.044(7) Uani 0.271(3) 1 d G U P A 2
C59A C 0.6327(3) 0.2599(2) 0.25834(19) 0.0388(11) Uani 1 1 d G U . . .
H59A H 0.5727 0.2721 0.2417 0.047 Uiso 0.729(3) 1 calc R . P B 1
H59B H 0.5726 0.2631 0.2378 0.047 Uiso 0.271(3) 1 calc R . P B 2
C60A C 0.6629(9) 0.3020(9) 0.3064(6) 0.030(7) Uani 0.271(3) 1 d G U P A 2
C55A C 0.7528(11) 0.2973(11) 0.3372(8) 0.026(6) Uani 0.271(3) 1 d G U P A 2
C56A C 0.8124(6) 0.2505(9) 0.3198(9) 0.026(5) Uani 0.271(3) 1 d G U P A 2
C61A C 0.9102(14) 0.2474(13) 0.3578(10) 0.061(6) Uani 0.271(3) 1 d . U P A 2
H61D H 0.9076 0.2446 0.3971 0.092 Uiso 0.271(3) 1 calc GR . P B 2
H61E H 0.9428 0.2896 0.3518 0.092 Uiso 0.271(3) 1 calc GR . P B 2
H61F H 0.9409 0.2062 0.3479 0.092 Uiso 0.271(3) 1 calc GR . P B 2
C62A C 0.666(3) 0.162(2) 0.1870(16) 0.087(12) Uani 0.271(3) 1 d . U P A 2
H62D H 0.6339 0.1211 0.1963 0.131 Uiso 0.271(3) 1 calc GR . P B 2
H62E H 0.7208 0.1462 0.1766 0.131 Uiso 0.271(3) 1 calc GR . P B 2
H62F H 0.6284 0.1870 0.1557 0.131 Uiso 0.271(3) 1 calc GR . P B 2
C63A C 0.5841(16) 0.3476(16) 0.3117(12) 0.065(8) Uani 0.271(3) 1 d . U P A 2
H63D H 0.5337 0.3388 0.2800 0.098 Uiso 0.271(3) 1 calc GR . P B 2
H63E H 0.6012 0.3969 0.3120 0.098 Uiso 0.271(3) 1 calc GR . P B 2
H63F H 0.5668 0.3364 0.3465 0.098 Uiso 0.271(3) 1 calc GR . P B 2
C67 C 0.3084(3) 0.4939(3) 0.28939(13) 0.0757(19) Uani 1 1 d . . . . .
H67 H 0.3107 0.5114 0.3258 0.091 Uiso 1 1 calc R . . . .
C68 C 0.2267(2) 0.4947(2) 0.24846(17) 0.0700(18) Uani 1 1 d G . . . .
H68 H 0.1743 0.5126 0.2575 0.084 Uiso 1 1 calc R . . . .
C69 C 0.2232(2) 0.4686(2) 0.19406(16) 0.0553(15) Uani 1 1 d G . . . .
C64 C 0.3014(3) 0.4419(3) 0.18058(14) 0.085(2) Uani 1 1 d G . . . .
H64 H 0.2991 0.4245 0.1442 0.102 Uiso 1 1 calc R . . . .
C65 C 0.3831(2) 0.4412(3) 0.22151(19) 0.085(2) Uani 1 1 d G . . . .
H65 H 0.4354 0.4233 0.2125 0.102 Uiso 1 1 calc R . . . .
C66 C 0.3866(2) 0.4672(2) 0.27591(16) 0.0636(16) Uani 1 1 d G . . . .
H66 H 0.4413 0.4667 0.3033 0.076 Uiso 1 1 calc R . . . .
C70 C 0.1342(4) 0.4692(3) 0.1499(3) 0.077(2) Uani 1 1 d . . . . .
H70A H 0.1275 0.5138 0.1298 0.116 Uiso 1 1 calc GR . . . .
H70B H 0.0847 0.4632 0.1683 0.116 Uiso 1 1 calc GR . . . .
H70C H 0.1336 0.4309 0.1234 0.116 Uiso 1 1 calc GR . . . .


_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
Sb1 Y1 3.1888(5) . ?
Sb1 Y2 3.1741(5) . ?
Sb1 C37 2.166(5) . ?
Sb2 Y2 3.2008(6) . ?
Sb2 Y3 3.1307(6) . ?
Sb2 C46 2.172(12) . ?
Sb3 Y1 3.1911(6) . ?
Sb3 Y3 3.1609(6) . ?
Sb3 C55 2.195(7) . ?
Y1 C1 2.603(4) . ?
Y1 C2 2.612(4) . ?
Y1 C3 2.637(4) . ?
Y1 C4 2.645(4) . ?
Y1 C5 2.638(4) . ?
Y1 C7 2.598(4) . ?
Y1 C8 2.596(4) . ?
Y1 C9 2.626(4) . ?
Y1 C10 2.648(5) . ?
Y1 C11 2.619(4) . ?
Y1 Sb1A 3.152(3) . ?
Y1 Sb3A 3.0987(11) . ?
Y2 C13 2.613(4) . ?
Y2 C14 2.621(4) . ?
Y2 C15 2.635(4) . ?
Y2 C16 2.634(4) . ?
Y2 C17 2.614(4) . ?
Y2 C19 2.590(4) . ?
Y2 C20 2.619(4) . ?
Y2 C21 2.647(4) . ?
Y2 C22 2.634(4) . ?
Y2 C23 2.603(4) . ?
Y2 Sb1A 3.112(3) . ?
Y3 C25 2.606(4) . ?
Y3 C26 2.600(4) . ?
Y3 C27 2.621(4) . ?
Y3 C28 2.649(4) . ?
Y3 C29 2.640(4) . ?
Y3 C31 2.593(5) . ?
Y3 C32 2.605(5) . ?
Y3 C33 2.636(5) . ?
Y3 C34 2.633(4) . ?
Y3 C35 2.611(5) . ?
Y3 Sb3A 3.1581(12) . ?
C1 H1 0.9300 . ?
C1 C2 1.409(7) . ?
C1 C5 1.408(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.393(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.408(6) . ?
C5 C6 1.497(6) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C8 1.404(7) . ?
C7 C11 1.407(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.379(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.400(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.398(7) . ?
C11 C12 1.498(7) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9300 . ?
C13 C14 1.403(7) . ?
C13 C17 1.404(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.395(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.400(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.415(6) . ?
C17 C18 1.472(8) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C19 C20 1.390(7) . ?
C19 C23 1.398(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.401(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.392(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.413(7) . ?
C23 C24 1.507(7) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C25 C26 1.405(6) . ?
C25 C29 1.418(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.399(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.405(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.405(6) . ?
C29 C30 1.498(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C31 C32 1.395(9) . ?
C31 C35 1.372(9) . ?
C32 H32 0.9300 . ?
C32 C33 1.404(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.385(7) . ?
C34 H34 0.9300 . ?
C34 C35 1.396(7) . ?
C35 C36 1.508(9) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.393(7) . ?
C37 C42 1.409(7) . ?
C38 C39 1.385(7) . ?
C38 C43 1.525(8) . ?
C39 H39 0.9300 . ?
C39 C40 1.380(9) . ?
C40 C41 1.370(8) . ?
C40 C44 1.519(8) . ?
C41 H41 0.9300 . ?
C41 C42 1.395(7) . ?
C42 C45 1.501(8) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C47 1.414(15) . ?
C46 C51 1.422(14) . ?
C47 C48 1.374(14) . ?
C47 C52 1.515(14) . ?
C48 H48 0.9300 . ?
C48 C49 1.384(18) . ?
C49 C50 1.367(19) . ?
C49 C53 1.518(19) . ?
C50 H50 0.9300 . ?
C50 C51 1.397(17) . ?
C51 C54 1.499(14) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.398(11) . ?
C55 C60 1.408(11) . ?
C56 C57 1.405(10) . ?
C56 C61 1.499(9) . ?
C57 H57 0.9300 . ?
C57 C58 1.368(11) . ?
C58 C62 1.492(13) . ?
C58 C59A 1.340(9) . ?
C60 C63 1.549(11) . ?
C60 C59A 1.385(9) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
Sb1A C37A 2.21(3) . ?
Sb2A C46A 2.178(13) . ?
Sb3A C55A 2.149(10) . ?
C41A H41A 0.9300 . ?
C41A C40A 1.3900 . ?
C41A C42A 1.3900 . ?
C40A C39A 1.3900 . ?
C40A C44A 1.52(2) . ?
C39A H39A 0.9300 . ?
C39A C38A 1.3900 . ?
C38A C37A 1.3900 . ?
C38A C43A 1.57(2) . ?
C37A C42A 1.3900 . ?
C42A C45A 1.52(2) . ?
C43A H43D 0.9600 . ?
C43A H43E 0.9600 . ?
C43A H43F 0.9600 . ?
C44A H44D 0.9600 . ?
C44A H44E 0.9600 . ?
C44A H44F 0.9600 . ?
C45A H45D 0.9600 . ?
C45A H45E 0.9600 . ?
C45A H45F 0.9600 . ?
C50A H50A 0.9300 . ?
C50A C49A 1.3900 . ?
C50A C51A 1.3900 . ?
C49A C48A 1.3900 . ?
C49A C53A 1.542(18) . ?
C48A H48A 0.9300 . ?
C48A C47A 1.3900 . ?
C47A C46A 1.3900 . ?
C47A C52A 1.531(17) . ?
C46A C51A 1.3900 . ?
C51A C54A 1.52(2) . ?
C52A H52D 0.9600 . ?
C52A H52E 0.9600 . ?
C52A H52F 0.9600 . ?
C53A H53D 0.9600 . ?
C53A H53E 0.9600 . ?
C53A H53F 0.9600 . ?
C54A H54D 0.9600 . ?
C54A H54E 0.9600 . ?
C54A H54F 0.9600 . ?
C57A H57A 0.9300 . ?
C57A C58A 1.3900 . ?
C57A C56A 1.3900 . ?
C58A C59A 1.3900 . ?
C58A C62A 1.59(4) . ?
C59A H59A 0.9300 . ?
C59A H59B 0.9300 . ?
C59A C60A 1.3900 . ?
C60A C55A 1.3900 . ?
C60A C63A 1.50(3) . ?
C55A C56A 1.3900 . ?
C56A C61A 1.55(2) . ?
C61A H61D 0.9600 . ?
C61A H61E 0.9600 . ?
C61A H61F 0.9600 . ?
C62A H62D 0.9600 . ?
C62A H62E 0.9600 . ?
C62A H62F 0.9600 . ?
C63A H63D 0.9600 . ?
C63A H63E 0.9600 . ?
C63A H63F 0.9600 . ?
C67 H67 0.9300 . ?
C67 C68 1.3900 . ?
C67 C66 1.3900 . ?
C68 H68 0.9300 . ?
C68 C69 1.3900 . ?
C69 C64 1.3900 . ?
C69 C70 1.509(6) . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?

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
Y2 Sb1 Y1 128.589(16) . . ?
C37 Sb1 Y1 112.24(15) . . ?
C37 Sb1 Y2 114.08(15) . . ?
Y3 Sb2 Y2 135.70(2) . . ?
C46 Sb2 Y2 110.5(4) . . ?
C46 Sb2 Y3 109.0(4) . . ?
Y3 Sb3 Y1 132.93(2) . . ?
C55 Sb3 Y1 109.1(3) . . ?
C55 Sb3 Y3 114.7(3) . . ?
C1 Y1 C2 31.36(15) . . ?
C1 Y1 C3 51.17(15) . . ?
C1 Y1 C4 51.05(14) . . ?
C1 Y1 C5 31.17(15) . . ?
C1 Y1 C9 130.93(16) . . ?
C1 Y1 C10 118.13(15) . . ?
C1 Y1 C11 87.60(15) . . ?
C1 Y1 Sb1A 124.13(15) . . ?
C1 Y1 Sb3A 136.49(12) . . ?
C2 Y1 C3 30.78(14) . . ?
C2 Y1 C4 50.86(14) . . ?
C2 Y1 C5 51.56(14) . . ?
C2 Y1 C9 154.64(15) . . ?
C2 Y1 C10 127.55(15) . . ?
C2 Y1 C11 103.35(16) . . ?
C2 Y1 Sb1A 94.20(14) . . ?
C2 Y1 Sb3A 125.29(11) . . ?
C3 Y1 C4 30.51(14) . . ?
C3 Y1 C5 51.08(13) . . ?
C3 Y1 C10 155.78(15) . . ?
C3 Y1 Sb1A 89.80(12) . . ?
C3 Y1 Sb3A 94.83(10) . . ?
C4 Y1 C10 164.54(14) . . ?
C4 Y1 Sb1A 114.89(11) . . ?
C4 Y1 Sb3A 85.65(10) . . ?
C5 Y1 C4 30.92(13) . . ?
C5 Y1 C10 133.85(14) . . ?
C5 Y1 Sb1A 140.76(12) . . ?
C5 Y1 Sb3A 108.28(11) . . ?
C7 Y1 C1 79.92(16) . . ?
C7 Y1 C2 107.48(16) . . ?
C7 Y1 C3 130.47(16) . . ?
C7 Y1 C4 113.78(15) . . ?
C7 Y1 C5 83.82(15) . . ?
C7 Y1 C9 51.01(16) . . ?
C7 Y1 C10 50.79(16) . . ?
C7 Y1 C11 31.29(15) . . ?
C7 Y1 Sb1A 129.92(13) . . ?
C7 Y1 Sb3A 121.23(12) . . ?
C8 Y1 C1 105.16(17) . . ?
C8 Y1 C2 135.91(17) . . ?
C8 Y1 C3 146.39(16) . . ?
C8 Y1 C4 117.48(16) . . ?
C8 Y1 C5 95.89(16) . . ?
C8 Y1 C7 31.36(16) . . ?
C8 Y1 C9 30.62(16) . . ?
C8 Y1 C10 50.88(17) . . ?
C8 Y1 C11 51.86(16) . . ?
C8 Y1 Sb1A 123.33(15) . . ?
C8 Y1 Sb3A 89.94(12) . . ?
C9 Y1 C3 173.43(16) . . ?
C9 Y1 C4 143.88(16) . . ?
C9 Y1 C5 126.50(15) . . ?
C9 Y1 C10 30.78(16) . . ?
C9 Y1 Sb1A 92.71(14) . . ?
C9 Y1 Sb3A 80.07(11) . . ?
C10 Y1 Sb1A 80.05(12) . . ?
C10 Y1 Sb3A 103.20(12) . . ?
C11 Y1 C3 134.00(15) . . ?
C11 Y1 C4 135.66(15) . . ?
C11 Y1 C5 105.24(15) . . ?
C11 Y1 C9 51.35(16) . . ?
C11 Y1 C10 30.78(15) . . ?
C11 Y1 Sb1A 100.68(13) . . ?
C11 Y1 Sb3A 131.14(12) . . ?
Sb3A Y1 Sb1A 73.76(13) . . ?
C13 Y2 Sb1 123.51(12) . . ?
C13 Y2 C14 31.10(15) . . ?
C13 Y2 C15 50.89(14) . . ?
C13 Y2 C16 50.94(15) . . ?
C13 Y2 C17 31.17(16) . . ?
C13 Y2 C20 100.65(16) . . ?
C13 Y2 C21 128.03(15) . . ?
C13 Y2 C22 118.89(15) . . ?
C13 Y2 Sb1A 137.30(15) . . ?
C14 Y2 Sb1 120.88(10) . . ?
C14 Y2 C15 30.78(13) . . ?
C14 Y2 C16 51.11(14) . . ?
C14 Y2 C21 150.93(15) . . ?
C14 Y2 C22 126.27(16) . . ?
C14 Y2 Sb1A 126.27(11) . . ?
C15 Y2 Sb1 90.39(9) . . ?
C15 Y2 C21 175.47(17) . . ?
C15 Y2 Sb1A 95.84(11) . . ?
C16 Y2 Sb1 74.49(10) . . ?
C16 Y2 C15 30.81(13) . . ?
C16 Y2 C21 144.65(16) . . ?
C16 Y2 C22 166.66(14) . . ?
C16 Y2 Sb1A 86.56(14) . . ?
C17 Y2 Sb1 93.87(12) . . ?
C17 Y2 C14 51.89(16) . . ?
C17 Y2 C15 51.61(14) . . ?
C17 Y2 C16 31.29(14) . . ?
C17 Y2 C20 94.08(15) . . ?
C17 Y2 C21 124.75(15) . . ?
C17 Y2 C22 135.41(15) . . ?
C17 Y2 Sb1A 109.30(16) . . ?
C19 Y2 Sb1 122.61(11) . . ?
C19 Y2 C13 77.40(15) . . ?
C19 Y2 C14 102.67(15) . . ?
C19 Y2 C15 128.28(14) . . ?
C19 Y2 C16 115.79(14) . . ?
C19 Y2 C17 84.71(15) . . ?
C19 Y2 C20 30.96(15) . . ?
C19 Y2 C21 50.82(15) . . ?
C19 Y2 C22 50.88(14) . . ?
C19 Y2 C23 31.23(14) . . ?
C19 Y2 Sb1A 127.43(13) . . ?
C20 Y2 Sb1 92.60(12) . . ?
C20 Y2 C14 130.30(16) . . ?
C20 Y2 C15 145.69(15) . . ?
C20 Y2 C16 118.69(15) . . ?
C20 Y2 C21 30.86(16) . . ?
C20 Y2 C22 50.96(16) . . ?
C20 Y2 Sb1A 96.50(14) . . ?
C21 Y2 Sb1 87.14(12) . . ?
C21 Y2 Sb1A 82.80(13) . . ?
C22 Y2 Sb1 111.99(12) . . ?
C22 Y2 C15 153.58(15) . . ?
C22 Y2 C21 30.56(16) . . ?
C22 Y2 Sb1A 102.29(14) . . ?
C23 Y2 Sb1 138.61(11) . . ?
C23 Y2 C13 87.60(15) . . ?
C23 Y2 C14 99.93(14) . . ?
C23 Y2 C15 130.70(14) . . ?
C23 Y2 C16 137.29(15) . . ?
C23 Y2 C17 107.49(15) . . ?
C23 Y2 C20 51.84(16) . . ?
C23 Y2 C21 51.51(16) . . ?
C23 Y2 C22 31.30(15) . . ?
C23 Y2 Sb1A 132.57(13) . . ?
C25 Y3 Sb2 133.25(11) . . ?
C25 Y3 C27 51.43(14) . . ?
C25 Y3 C28 50.92(15) . . ?
C25 Y3 C29 31.35(15) . . ?
C25 Y3 C33 128.66(15) . . ?
C25 Y3 C34 120.18(15) . . ?
C25 Y3 C35 89.30(17) . . ?
C25 Y3 Sb3A 123.34(12) . . ?
C26 Y3 Sb2 122.86(11) . . ?
C26 Y3 C25 31.32(14) . . ?
C26 Y3 C27 31.08(14) . . ?
C26 Y3 C28 51.09(15) . . ?
C26 Y3 C29 51.92(15) . . ?
C26 Y3 C32 130.21(18) . . ?
C26 Y3 C33 151.82(16) . . ?
C26 Y3 C34 127.32(16) . . ?
C26 Y3 C35 101.15(16) . . ?
C26 Y3 Sb3A 92.71(11) . . ?
C27 Y3 Sb2 91.95(10) . . ?
C27 Y3 C28 30.93(14) . . ?
C27 Y3 C29 51.64(14) . . ?
C27 Y3 C33 175.23(17) . . ?
C27 Y3 C34 154.26(15) . . ?
C27 Y3 Sb3A 85.91(10) . . ?
C28 Y3 Sb2 82.53(10) . . ?
C28 Y3 Sb3A 110.75(10) . . ?
C29 Y3 Sb2 105.12(11) . . ?
C29 Y3 C28 30.80(14) . . ?
C29 Y3 Sb3A 137.55(10) . . ?
C31 Y3 Sb2 130.01(15) . . ?
C31 Y3 C25 78.09(16) . . ?
C31 Y3 C26 102.90(16) . . ?
C31 Y3 C27 129.51(15) . . ?
C31 Y3 C28 117.43(16) . . ?
C31 Y3 C29 86.75(17) . . ?
C31 Y3 C32 31.1(2) . . ?
C31 Y3 C33 51.02(17) . . ?
C31 Y3 C34 50.28(17) . . ?
C31 Y3 C35 30.57(19) . . ?
C31 Y3 Sb3A 128.29(16) . . ?
C32 Y3 Sb2 98.89(16) . . ?
C32 Y3 C25 100.47(18) . . ?
C32 Y3 C27 146.35(16) . . ?
C32 Y3 C28 119.19(16) . . ?
C32 Y3 C29 94.72(16) . . ?
C32 Y3 C33 31.07(17) . . ?
C32 Y3 C34 50.69(17) . . ?
C32 Y3 C35 51.41(19) . . ?
C32 Y3 Sb3A 127.73(13) . . ?
C33 Y3 Sb2 85.32(12) . . ?
C33 Y3 C28 144.48(16) . . ?
C33 Y3 C29 125.37(16) . . ?
C33 Y3 Sb3A 96.97(12) . . ?
C34 Y3 Sb2 104.99(11) . . ?
C34 Y3 C28 167.69(14) . . ?
C34 Y3 C29 136.99(14) . . ?
C34 Y3 C33 30.48(16) . . ?
C34 Y3 Sb3A 81.09(11) . . ?
C35 Y3 Sb2 134.93(12) . . ?
C35 Y3 C27 132.16(15) . . ?
C35 Y3 C28 139.11(16) . . ?
C35 Y3 C29 109.83(17) . . ?
C35 Y3 C33 51.30(17) . . ?
C35 Y3 C34 30.88(16) . . ?
C35 Y3 Sb3A 98.40(14) . . ?
Y1 C1 H1 115.8 . . ?
C2 C1 Y1 74.6(3) . . ?
C2 C1 H1 125.9 . . ?
C5 C1 Y1 75.8(3) . . ?
C5 C1 H1 125.9 . . ?
C5 C1 C2 108.2(4) . . ?
Y1 C2 H2 116.4 . . ?
C1 C2 Y1 74.0(3) . . ?
C1 C2 H2 126.1 . . ?
C3 C2 Y1 75.6(2) . . ?
C3 C2 C1 107.7(4) . . ?
C3 C2 H2 126.1 . . ?
Y1 C3 H3 117.5 . . ?
C2 C3 Y1 73.6(3) . . ?
C2 C3 H3 125.8 . . ?
C4 C3 Y1 75.1(2) . . ?
C4 C3 C2 108.5(4) . . ?
C4 C3 H3 125.8 . . ?
Y1 C4 H4 117.6 . . ?
C3 C4 Y1 74.4(3) . . ?
C3 C4 H4 125.6 . . ?
C3 C4 C5 108.7(4) . . ?
C5 C4 Y1 74.2(3) . . ?
C5 C4 H4 125.6 . . ?
C1 C5 Y1 73.1(3) . . ?
C1 C5 C4 106.9(4) . . ?
C1 C5 C6 125.9(4) . . ?
C4 C5 Y1 74.8(3) . . ?
C4 C5 C6 127.0(4) . . ?
C6 C5 Y1 121.1(3) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Y1 C7 H7 116.8 . . ?
C8 C7 Y1 74.2(3) . . ?
C8 C7 H7 125.8 . . ?
C8 C7 C11 108.4(5) . . ?
C11 C7 Y1 75.2(3) . . ?
C11 C7 H7 125.8 . . ?
Y1 C8 H8 115.8 . . ?
C7 C8 Y1 74.4(3) . . ?
C7 C8 H8 126.1 . . ?
C9 C8 Y1 75.9(3) . . ?
C9 C8 C7 107.9(5) . . ?
C9 C8 H8 126.1 . . ?
Y1 C9 H9 117.2 . . ?
C8 C9 Y1 73.5(3) . . ?
C8 C9 H9 125.8 . . ?
C8 C9 C10 108.4(5) . . ?
C10 C9 Y1 75.5(3) . . ?
C10 C9 H9 125.8 . . ?
Y1 C10 H10 119.0 . . ?
C9 C10 Y1 73.7(3) . . ?
C9 C10 H10 125.7 . . ?
C11 C10 Y1 73.4(3) . . ?
C11 C10 C9 108.6(5) . . ?
C11 C10 H10 125.7 . . ?
C7 C11 Y1 73.5(3) . . ?
C7 C11 C12 126.5(5) . . ?
C10 C11 Y1 75.8(3) . . ?
C10 C11 C7 106.7(5) . . ?
C10 C11 C12 126.8(5) . . ?
C12 C11 Y1 118.3(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Y2 C13 H13 117.3 . . ?
C14 C13 Y2 74.8(2) . . ?
C14 C13 H13 125.3 . . ?
C14 C13 C17 109.3(4) . . ?
C17 C13 Y2 74.4(3) . . ?
C17 C13 H13 125.3 . . ?
Y2 C14 H14 116.6 . . ?
C13 C14 Y2 74.1(2) . . ?
C13 C14 H14 126.3 . . ?
C15 C14 Y2 75.2(2) . . ?
C15 C14 C13 107.4(4) . . ?
C15 C14 H14 126.3 . . ?
Y2 C15 H15 117.6 . . ?
C14 C15 Y2 74.1(2) . . ?
C14 C15 H15 125.8 . . ?
C14 C15 C16 108.4(4) . . ?
C16 C15 Y2 74.5(2) . . ?
C16 C15 H15 125.8 . . ?
Y2 C16 H16 118.0 . . ?
C15 C16 Y2 74.6(2) . . ?
C15 C16 H16 125.7 . . ?
C15 C16 C17 108.5(4) . . ?
C17 C16 Y2 73.6(2) . . ?
C17 C16 H16 125.7 . . ?
C13 C17 Y2 74.4(3) . . ?
C13 C17 C16 106.3(4) . . ?
C13 C17 C18 126.0(5) . . ?
C16 C17 Y2 75.1(2) . . ?
C16 C17 C18 127.6(6) . . ?
C18 C17 Y2 118.2(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Y2 C19 H19 116.2 . . ?
C20 C19 Y2 75.7(3) . . ?
C20 C19 H19 125.1 . . ?
C20 C19 C23 109.9(4) . . ?
C23 C19 Y2 74.9(2) . . ?
C23 C19 H19 125.1 . . ?
Y2 C20 H20 116.7 . . ?
C19 C20 Y2 73.4(2) . . ?
C19 C20 H20 126.4 . . ?
C19 C20 C21 107.3(5) . . ?
C21 C20 Y2 75.7(3) . . ?
C21 C20 H20 126.4 . . ?
Y2 C21 H21 118.3 . . ?
C20 C21 Y2 73.4(3) . . ?
C20 C21 H21 126.0 . . ?
C22 C21 Y2 74.2(3) . . ?
C22 C21 C20 108.0(5) . . ?
C22 C21 H21 126.0 . . ?
Y2 C22 H22 118.0 . . ?
C21 C22 Y2 75.2(3) . . ?
C21 C22 H22 125.6 . . ?
C21 C22 C23 108.9(4) . . ?
C23 C22 Y2 73.1(2) . . ?
C23 C22 H22 125.6 . . ?
C19 C23 Y2 73.9(2) . . ?
C19 C23 C22 106.0(4) . . ?
C19 C23 C24 127.0(5) . . ?
C22 C23 Y2 75.6(2) . . ?
C22 C23 C24 127.0(5) . . ?
C24 C23 Y2 117.0(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Y3 C25 H25 116.6 . . ?
C26 C25 Y3 74.1(2) . . ?
C26 C25 H25 125.6 . . ?
C26 C25 C29 108.7(4) . . ?
C29 C25 Y3 75.7(2) . . ?
C29 C25 H25 125.6 . . ?
Y3 C26 H26 116.2 . . ?
C25 C26 Y3 74.6(2) . . ?
C25 C26 H26 126.0 . . ?
C27 C26 Y3 75.3(2) . . ?
C27 C26 C25 108.0(4) . . ?
C27 C26 H26 126.0 . . ?
Y3 C27 H27 116.7 . . ?
C26 C27 Y3 73.6(2) . . ?
C26 C27 H27 126.2 . . ?
C26 C27 C28 107.7(4) . . ?
C28 C27 Y3 75.6(2) . . ?
C28 C27 H27 126.2 . . ?
Y3 C28 H28 118.8 . . ?
C27 C28 Y3 73.4(2) . . ?
C27 C28 H28 125.4 . . ?
C29 C28 Y3 74.2(3) . . ?
C29 C28 C27 109.3(4) . . ?
C29 C28 H28 125.4 . . ?
C25 C29 Y3 73.0(3) . . ?
C25 C29 C30 127.3(5) . . ?
C28 C29 Y3 75.0(2) . . ?
C28 C29 C25 106.4(4) . . ?
C28 C29 C30 126.2(5) . . ?
C30 C29 Y3 120.9(3) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Y3 C31 H31 116.4 . . ?
C32 C31 Y3 74.9(3) . . ?
C32 C31 H31 125.2 . . ?
C35 C31 Y3 75.4(3) . . ?
C35 C31 H31 125.2 . . ?
C35 C31 C32 109.7(5) . . ?
Y3 C32 H32 116.2 . . ?
C31 C32 Y3 74.0(3) . . ?
C31 C32 H32 126.4 . . ?
C31 C32 C33 107.1(5) . . ?
C33 C32 Y3 75.7(3) . . ?
C33 C32 H32 126.4 . . ?
Y3 C33 H33 117.7 . . ?
C32 C33 Y3 73.3(3) . . ?
C32 C33 H33 126.5 . . ?
C34 C33 Y3 74.7(3) . . ?
C34 C33 C32 107.0(5) . . ?
C34 C33 H33 126.5 . . ?
Y3 C34 H34 118.0 . . ?
C33 C34 Y3 74.9(3) . . ?
C33 C34 H34 125.3 . . ?
C33 C34 C35 109.5(5) . . ?
C35 C34 Y3 73.7(3) . . ?
C35 C34 H34 125.3 . . ?
C31 C35 Y3 74.0(3) . . ?
C31 C35 C34 106.7(5) . . ?
C31 C35 C36 126.8(6) . . ?
C34 C35 Y3 75.5(3) . . ?
C34 C35 C36 126.5(6) . . ?
C36 C35 Y3 117.9(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Sb1 117.4(4) . . ?
C38 C37 C42 119.2(4) . . ?
C42 C37 Sb1 123.4(4) . . ?
C37 C38 C43 121.3(5) . . ?
C39 C38 C37 119.7(5) . . ?
C39 C38 C43 119.0(5) . . ?
C38 C39 H39 118.9 . . ?
C40 C39 C38 122.3(5) . . ?
C40 C39 H39 118.9 . . ?
C39 C40 C44 121.3(6) . . ?
C41 C40 C39 117.5(5) . . ?
C41 C40 C44 121.2(6) . . ?
C40 C41 H41 118.6 . . ?
C40 C41 C42 122.9(5) . . ?
C42 C41 H41 118.6 . . ?
C37 C42 C45 123.7(5) . . ?
C41 C42 C37 118.4(5) . . ?
C41 C42 C45 117.9(5) . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 Sb2 117.8(9) . . ?
C47 C46 C51 118.6(9) . . ?
C51 C46 Sb2 123.6(9) . . ?
C46 C47 C52 119.6(11) . . ?
C48 C47 C46 119.0(10) . . ?
C48 C47 C52 121.4(12) . . ?
C47 C48 H48 118.2 . . ?
C47 C48 C49 123.6(12) . . ?
C49 C48 H48 118.2 . . ?
C48 C49 C53 122.6(16) . . ?
C50 C49 C48 116.9(11) . . ?
C50 C49 C53 120.5(16) . . ?
C49 C50 H50 118.3 . . ?
C49 C50 C51 123.3(11) . . ?
C51 C50 H50 118.3 . . ?
C46 C51 C54 122.4(11) . . ?
C50 C51 C46 118.4(10) . . ?
C50 C51 C54 119.2(12) . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 Sb3 123.3(6) . . ?
C56 C55 C60 118.7(6) . . ?
C60 C55 Sb3 118.0(7) . . ?
C55 C56 C57 117.5(6) . . ?
C55 C56 C61 122.9(8) . . ?
C57 C56 C61 119.6(8) . . ?
C56 C57 H57 118.0 . . ?
C58 C57 C56 124.0(7) . . ?
C58 C57 H57 118.0 . . ?
C57 C58 C62 121.6(7) . . ?
C59A C58 C57 116.9(7) . . ?
C59A C58 C62 121.4(8) . . ?
C55 C60 C63 120.6(7) . . ?
C59A C60 C55 119.4(7) . . ?
C59A C60 C63 120.0(8) . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C58 C62 H62A 109.5 . . ?
C58 C62 H62B 109.5 . . ?
C58 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Y2 Sb1A Y1 132.49(10) . . ?
C37A Sb1A Y1 110.7(14) . . ?
C37A Sb1A Y2 112.0(14) . . ?
Y2 Sb2A Y3 132.66(5) . . ?
C46A Sb2A Y2 111.5(7) . . ?
C46A Sb2A Y3 112.4(7) . . ?
Y1 Sb3A Y3 137.12(4) . . ?
C55A Sb3A Y1 106.9(7) . . ?
C55A Sb3A Y3 109.7(7) . . ?
C40A C41A H41A 120.0 . . ?
C40A C41A C42A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C41A C40A C44A 123.0(14) . . ?
C39A C40A C41A 120.0 . . ?
C39A C40A C44A 117.0(14) . . ?
C40A C39A H39A 120.0 . . ?
C40A C39A C38A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C39A C38A C43A 117.9(14) . . ?
C37A C38A C39A 120.0 . . ?
C37A C38A C43A 121.3(13) . . ?
C38A C37A Sb1A 121.8(12) . . ?
C38A C37A C42A 120.0 . . ?
C42A C37A Sb1A 118.2(12) . . ?
C41A C42A C45A 119.5(15) . . ?
C37A C42A C41A 120.0 . . ?
C37A C42A C45A 120.3(15) . . ?
C38A C43A H43D 109.5 . . ?
C38A C43A H43E 109.5 . . ?
C38A C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C40A C44A H44D 109.5 . . ?
C40A C44A H44E 109.5 . . ?
C40A C44A H44F 109.5 . . ?
H44D C44A H44E 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
C42A C45A H45D 109.5 . . ?
C42A C45A H45E 109.5 . . ?
C42A C45A H45F 109.5 . . ?
H45D C45A H45E 109.5 . . ?
H45D C45A H45F 109.5 . . ?
H45E C45A H45F 109.5 . . ?
C49A C50A H50A 120.0 . . ?
C49A C50A C51A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C50A C49A C48A 120.0 . . ?
C50A C49A C53A 122.8(12) . . ?
C48A C49A C53A 117.2(12) . . ?
C49A C48A H48A 120.0 . . ?
C47A C48A C49A 120.0 . . ?
C47A C48A H48A 120.0 . . ?
C48A C47A C46A 120.0 . . ?
C48A C47A C52A 117.8(12) . . ?
C46A C47A C52A 122.2(12) . . ?
C47A C46A Sb2A 123.7(9) . . ?
C47A C46A C51A 120.0 . . ?
C51A C46A Sb2A 116.3(9) . . ?
C50A C51A C54A 116.0(13) . . ?
C46A C51A C50A 120.0 . . ?
C46A C51A C54A 124.0(13) . . ?
C47A C52A H52D 109.5 . . ?
C47A C52A H52E 109.5 . . ?
C47A C52A H52F 109.5 . . ?
H52D C52A H52E 109.5 . . ?
H52D C52A H52F 109.5 . . ?
H52E C52A H52F 109.5 . . ?
C49A C53A H53D 109.5 . . ?
C49A C53A H53E 109.5 . . ?
C49A C53A H53F 109.5 . . ?
H53D C53A H53E 109.5 . . ?
H53D C53A H53F 109.5 . . ?
H53E C53A H53F 109.5 . . ?
C51A C54A H54D 109.5 . . ?
C51A C54A H54E 109.5 . . ?
C51A C54A H54F 109.5 . . ?
H54D C54A H54E 109.5 . . ?
H54D C54A H54F 109.5 . . ?
H54E C54A H54F 109.5 . . ?
C58A C57A H57A 120.0 . . ?
C58A C57A C56A 120.0 . . ?
C56A C57A H57A 120.0 . . ?
C57A C58A C62A 115.0(15) . . ?
C59A C58A C57A 120.0 . . ?
C59A C58A C62A 125.0(15) . . ?
C58 C59A C60 123.4(7) . . ?
C58 C59A H59A 118.3 . . ?
C60 C59A H59A 118.3 . . ?
C58A C59A H59B 120.0 . . ?
C58A C59A C60A 120.0 . . ?
C60A C59A H59B 120.0 . . ?
C59A C60A C63A 106.4(12) . . ?
C55A C60A C59A 120.0 . . ?
C55A C60A C63A 133.5(12) . . ?
C60A C55A Sb3A 117.0(9) . . ?
C60A C55A C56A 120.0 . . ?
C56A C55A Sb3A 122.8(9) . . ?
C57A C56A C61A 123.8(16) . . ?
C55A C56A C57A 120.0 . . ?
C55A C56A C61A 116.2(16) . . ?
C56A C61A H61D 109.5 . . ?
C56A C61A H61E 109.5 . . ?
C56A C61A H61F 109.5 . . ?
H61D C61A H61E 109.5 . . ?
H61D C61A H61F 109.5 . . ?
H61E C61A H61F 109.5 . . ?
C58A C62A H62D 109.5 . . ?
C58A C62A H62E 109.5 . . ?
C58A C62A H62F 109.5 . . ?
H62D C62A H62E 109.5 . . ?
H62D C62A H62F 109.5 . . ?
H62E C62A H62F 109.5 . . ?
C60A C63A H63D 109.5 . . ?
C60A C63A H63E 109.5 . . ?
C60A C63A H63F 109.5 . . ?
H63D C63A H63E 109.5 . . ?
H63D C63A H63F 109.5 . . ?
H63E C63A H63F 109.5 . . ?
C68 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C69 C64 120.0 . . ?
C68 C69 C70 119.8(4) . . ?
C64 C69 C70 120.2(4) . . ?
C69 C64 H64 120.0 . . ?
C69 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C65 C66 C67 120.0 . . ?
C65 C66 H66 120.0 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sb1 C37 C38 C39 -179.6(5) . . . . ?
Sb1 C37 C38 C43 -1.0(7) . . . . ?
Sb1 C37 C42 C41 178.9(4) . . . . ?
Sb1 C37 C42 C45 -0.6(7) . . . . ?
Sb2 C46 C47 C48 176.0(11) . . . . ?
Sb2 C46 C47 C52 -3.4(14) . . . . ?
Sb2 C46 C51 C50 -178.6(11) . . . . ?
Sb2 C46 C51 C54 1.5(16) . . . . ?
Sb3 C55 C56 C57 -178.5(7) . . . . ?
Sb3 C55 C56 C61 -0.4(11) . . . . ?
Sb3 C55 C60 C63 -1.9(9) . . . . ?
Sb3 C55 C60 C59A 179.7(8) . . . . ?
Y1 C1 C2 C3 68.7(3) . . . . ?
Y1 C1 C5 C4 -67.8(3) . . . . ?
Y1 C1 C5 C6 116.6(5) . . . . ?
Y1 C2 C3 C4 67.6(3) . . . . ?
Y1 C3 C4 C5 66.9(3) . . . . ?
Y1 C4 C5 C1 66.6(3) . . . . ?
Y1 C4 C5 C6 -117.8(5) . . . . ?
Y1 C7 C8 C9 69.1(3) . . . . ?
Y1 C7 C11 C10 -69.1(3) . . . . ?
Y1 C7 C11 C12 113.4(5) . . . . ?
Y1 C8 C9 C10 68.1(3) . . . . ?
Y1 C9 C10 C11 65.7(3) . . . . ?
Y1 C10 C11 C7 67.6(3) . . . . ?
Y1 C10 C11 C12 -115.0(5) . . . . ?
Y2 C13 C14 C15 68.4(3) . . . . ?
Y2 C13 C17 C16 -68.9(3) . . . . ?
Y2 C13 C17 C18 113.8(5) . . . . ?
Y2 C14 C15 C16 67.2(3) . . . . ?
Y2 C15 C16 C17 66.3(3) . . . . ?
Y2 C16 C17 C13 68.4(3) . . . . ?
Y2 C16 C17 C18 -114.4(5) . . . . ?
Y2 C19 C20 C21 68.7(3) . . . . ?
Y2 C19 C23 C22 -69.4(3) . . . . ?
Y2 C19 C23 C24 111.9(4) . . . . ?
Y2 C20 C21 C22 66.7(3) . . . . ?
Y2 C21 C22 C23 65.9(3) . . . . ?
Y2 C22 C23 C19 68.2(3) . . . . ?
Y2 C22 C23 C24 -113.1(4) . . . . ?
Y3 C25 C26 C27 68.5(3) . . . . ?
Y3 C25 C29 C28 -68.1(3) . . . . ?
Y3 C25 C29 C30 116.3(5) . . . . ?
Y3 C26 C27 C28 68.6(3) . . . . ?
Y3 C27 C28 C29 66.1(3) . . . . ?
Y3 C28 C29 C25 66.8(3) . . . . ?
Y3 C28 C29 C30 -117.6(5) . . . . ?
Y3 C31 C32 C33 69.0(4) . . . . ?
Y3 C31 C35 C34 -69.0(3) . . . . ?
Y3 C31 C35 C36 113.2(5) . . . . ?
Y3 C32 C33 C34 67.6(3) . . . . ?
Y3 C33 C34 C35 66.1(3) . . . . ?
Y3 C34 C35 C31 68.0(3) . . . . ?
Y3 C34 C35 C36 -114.2(5) . . . . ?
C1 C2 C3 Y1 -67.6(3) . . . . ?
C1 C2 C3 C4 0.0(5) . . . . ?
C2 C1 C5 Y1 68.2(3) . . . . ?
C2 C1 C5 C4 0.4(5) . . . . ?
C2 C1 C5 C6 -175.2(4) . . . . ?
C2 C3 C4 Y1 -66.6(3) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C3 C4 C5 Y1 -67.0(3) . . . . ?
C3 C4 C5 C1 -0.4(5) . . . . ?
C3 C4 C5 C6 175.2(4) . . . . ?
C5 C1 C2 Y1 -69.0(3) . . . . ?
C5 C1 C2 C3 -0.2(5) . . . . ?
C7 C8 C9 Y1 -68.1(3) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C8 C7 C11 Y1 67.4(3) . . . . ?
C8 C7 C11 C10 -1.7(5) . . . . ?
C8 C7 C11 C12 -179.2(4) . . . . ?
C8 C9 C10 Y1 -66.7(3) . . . . ?
C8 C9 C10 C11 -1.0(5) . . . . ?
C9 C10 C11 Y1 -65.9(3) . . . . ?
C9 C10 C11 C7 1.7(5) . . . . ?
C9 C10 C11 C12 179.1(4) . . . . ?
C11 C7 C8 Y1 -68.0(3) . . . . ?
C11 C7 C8 C9 1.1(5) . . . . ?
C13 C14 C15 Y2 -67.7(3) . . . . ?
C13 C14 C15 C16 -0.5(5) . . . . ?
C14 C13 C17 Y2 67.2(3) . . . . ?
C14 C13 C17 C16 -1.7(5) . . . . ?
C14 C13 C17 C18 -178.9(5) . . . . ?
C14 C15 C16 Y2 -66.9(3) . . . . ?
C14 C15 C16 C17 -0.5(5) . . . . ?
C15 C16 C17 Y2 -67.0(3) . . . . ?
C15 C16 C17 C13 1.4(5) . . . . ?
C15 C16 C17 C18 178.6(5) . . . . ?
C17 C13 C14 Y2 -67.0(3) . . . . ?
C17 C13 C14 C15 1.4(5) . . . . ?
C19 C20 C21 Y2 -67.1(3) . . . . ?
C19 C20 C21 C22 -0.4(5) . . . . ?
C20 C19 C23 Y2 68.3(3) . . . . ?
C20 C19 C23 C22 -1.1(5) . . . . ?
C20 C19 C23 C24 -179.8(4) . . . . ?
C20 C21 C22 Y2 -66.2(3) . . . . ?
C20 C21 C22 C23 -0.3(5) . . . . ?
C21 C22 C23 Y2 -67.3(3) . . . . ?
C21 C22 C23 C19 0.8(5) . . . . ?
C21 C22 C23 C24 179.5(4) . . . . ?
C23 C19 C20 Y2 -67.8(3) . . . . ?
C23 C19 C20 C21 1.0(5) . . . . ?
C25 C26 C27 Y3 -68.0(3) . . . . ?
C25 C26 C27 C28 0.6(5) . . . . ?
C26 C25 C29 Y3 67.4(3) . . . . ?
C26 C25 C29 C28 -0.8(5) . . . . ?
C26 C25 C29 C30 -176.4(5) . . . . ?
C26 C27 C28 Y3 -67.2(3) . . . . ?
C26 C27 C28 C29 -1.1(5) . . . . ?
C27 C28 C29 Y3 -65.6(3) . . . . ?
C27 C28 C29 C25 1.1(5) . . . . ?
C27 C28 C29 C30 176.8(5) . . . . ?
C29 C25 C26 Y3 -68.4(3) . . . . ?
C29 C25 C26 C27 0.1(5) . . . . ?
C31 C32 C33 Y3 -67.8(3) . . . . ?
C31 C32 C33 C34 -0.2(6) . . . . ?
C32 C31 C35 Y3 67.8(4) . . . . ?
C32 C31 C35 C34 -1.2(6) . . . . ?
C32 C31 C35 C36 -179.1(5) . . . . ?
C32 C33 C34 Y3 -66.6(3) . . . . ?
C32 C33 C34 C35 -0.5(5) . . . . ?
C33 C34 C35 Y3 -66.9(3) . . . . ?
C33 C34 C35 C31 1.1(5) . . . . ?
C33 C34 C35 C36 178.9(5) . . . . ?
C35 C31 C32 Y3 -68.1(4) . . . . ?
C35 C31 C32 C33 0.9(6) . . . . ?
C37 C38 C39 C40 -0.1(8) . . . . ?
C38 C37 C42 C41 -0.8(7) . . . . ?
C38 C37 C42 C45 179.6(6) . . . . ?
C38 C39 C40 C41 0.7(8) . . . . ?
C38 C39 C40 C44 -180.0(8) . . . . ?
C39 C40 C41 C42 -1.4(8) . . . . ?
C40 C41 C42 C37 1.5(7) . . . . ?
C40 C41 C42 C45 -178.9(6) . . . . ?
C42 C37 C38 C39 0.2(7) . . . . ?
C42 C37 C38 C43 178.7(6) . . . . ?
C43 C38 C39 C40 -178.7(7) . . . . ?
C44 C40 C41 C42 179.2(7) . . . . ?
C46 C47 C48 C49 3.7(17) . . . . ?
C47 C46 C51 C50 -0.5(13) . . . . ?
C47 C46 C51 C54 179.6(15) . . . . ?
C47 C48 C49 C50 -2.2(19) . . . . ?
C47 C48 C49 C53 176.7(16) . . . . ?
C48 C49 C50 C51 -0.8(18) . . . . ?
C49 C50 C51 C46 2.1(16) . . . . ?
C49 C50 C51 C54 -178.0(17) . . . . ?
C51 C46 C47 C48 -2.3(14) . . . . ?
C51 C46 C47 C52 178.4(11) . . . . ?
C52 C47 C48 C49 -176.9(14) . . . . ?
C53 C49 C50 C51 -179.7(16) . . . . ?
C55 C56 C57 C58 -2.5(12) . . . . ?
C55 C60 C59A C58 0.0(10) . . . . ?
C55 C60 C59A C58A -4.2(15) . . . . ?
C55 C60 C59A C60A 176(8) . . . . ?
C56 C55 C60 C63 178.3(9) . . . . ?
C56 C55 C60 C59A -0.2(10) . . . . ?
C56 C57 C58 C62 -179.3(9) . . . . ?
C56 C57 C58 C59A 2.2(11) . . . . ?
C57 C58 C59A C60 -0.9(10) . . . . ?
C57 C58 C59A C58A 16(5) . . . . ?
C57 C58 C59A C60A -1.8(19) . . . . ?
C58 C59A C60A C55A 4.7(17) . . . . ?
C58 C59A C60A C63A -177.5(15) . . . . ?
C60 C55 C56 C57 1.3(10) . . . . ?
C60 C55 C56 C61 179.4(8) . . . . ?
C60 C59A C60A C55A 1(7) . . . . ?
C60 C59A C60A C63A 178(9) . . . . ?
C61 C56 C57 C58 179.4(9) . . . . ?
C62 C58 C59A C60 -179.4(9) . . . . ?
C62 C58 C59A C58A -163(5) . . . . ?
C62 C58 C59A C60A 179.8(12) . . . . ?
C63 C60 C59A C58 -178.5(9) . . . . ?
C63 C60 C59A C58A 177.4(7) . . . . ?
C63 C60 C59A C60A -2(7) . . . . ?
Sb1A C37A C42A C41A 179(4) . . . . ?
Sb1A C37A C42A C45A -6(5) . . . . ?
Sb2A C46A C51A C50A -179.0(15) . . . . ?
Sb2A C46A C51A C54A 1.1(19) . . . . ?
Sb3A C55A C56A C57A -175.6(19) . . . . ?
Sb3A C55A C56A C61A 6.1(19) . . . . ?
C41A C40A C39A C38A 0.0 . . . . ?
C40A C41A C42A C37A 0.0 . . . . ?
C40A C41A C42A C45A -175(5) . . . . ?
C40A C39A C38A C37A 0.0 . . . . ?
C40A C39A C38A C43A -170(6) . . . . ?
C39A C38A C37A Sb1A -179(4) . . . . ?
C39A C38A C37A C42A 0.0 . . . . ?
C38A C37A C42A C41A 0.0 . . . . ?
C38A C37A C42A C45A 175(5) . . . . ?
C42A C41A C40A C39A 0.0 . . . . ?
C42A C41A C40A C44A -178(7) . . . . ?
C43A C38A C37A Sb1A -9(6) . . . . ?
C43A C38A C37A C42A 169(6) . . . . ?
C44A C40A C39A C38A 179(6) . . . . ?
C50A C49A C48A C47A 0.0 . . . . ?
C49A C50A C51A C46A 0.0 . . . . ?
C49A C50A C51A C54A 180(2) . . . . ?
C49A C48A C47A C46A 0.0 . . . . ?
C49A C48A C47A C52A -177.7(16) . . . . ?
C48A C47A C46A Sb2A 178.9(16) . . . . ?
C48A C47A C46A C51A 0.0 . . . . ?
C47A C46A C51A C50A 0.0 . . . . ?
C47A C46A C51A C54A -180(2) . . . . ?
C51A C50A C49A C48A 0.0 . . . . ?
C51A C50A C49A C53A -179(2) . . . . ?
C52A C47A C46A Sb2A -3.5(18) . . . . ?
C52A C47A C46A C51A 177.5(17) . . . . ?
C53A C49A C48A C47A 178.9(19) . . . . ?
C57A C58A C59A C58 -165(5) . . . . ?
C57A C58A C59A C60 -0.1(13) . . . . ?
C57A C58A C59A C60A 0.0 . . . . ?
C58A C57A C56A C55A 0.0 . . . . ?
C58A C57A C56A C61A 178.2(17) . . . . ?
C58A C59A C60A C55A 0.0 . . . . ?
C58A C59A C60A C63A 178(2) . . . . ?
C59A C60A C55A Sb3A 175.8(18) . . . . ?
C59A C60A C55A C56A 0.0 . . . . ?
C60A C55A C56A C57A 0.0 . . . . ?
C60A C55A C56A C61A -178.3(16) . . . . ?
C56A C57A C58A C59A 0.0 . . . . ?
C56A C57A C58A C62A -180(2) . . . . ?
C62A C58A C59A C58 14(4) . . . . ?
C62A C58A C59A C60 180(2) . . . . ?
C62A C58A C59A C60A 180(3) . . . . ?
C63A C60A C55A Sb3A -1.2(19) . . . . ?
C63A C60A C55A C56A -177(3) . . . . ?
C67 C68 C69 C64 0.0 . . . . ?
C67 C68 C69 C70 179.7(4) . . . . ?
C68 C67 C66 C65 0.0 . . . . ?
C68 C69 C64 C65 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C70 C69 C64 C65 -179.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Toluene
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
####################################################################### 
# 
# 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_aral256_rered_xprep
_database_code_depnum_ccdc_archive 'CCDC 1485316'
_audit_update_record             
;
2016-06-14 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_audit_creation_date             2016-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        Dimesityldistibine
_chemical_formula_moiety         'C18 H24 Sb2'
_chemical_formula_sum            'C18 H24 Sb2'
_chemical_formula_weight         483.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         C24H18P1F3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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                   5.1740(2)
_cell_length_b                   7.9835(4)
_cell_length_c                   11.2694(5)
_cell_angle_alpha                88.921(4)
_cell_angle_beta                 79.679(4)
_cell_angle_gamma                73.714(4)
_cell_volume                     439.35(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3194
_cell_measurement_temperature    150.01(13)
_cell_measurement_theta_max      28.4150
_cell_measurement_theta_min      4.1600
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             234
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5797
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         3.677
_diffrn_ambient_temperature      150.01(13)
_diffrn_detector_area_resol_mean 8.0714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -47.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000    0.0000 87

#__ type_ start__ end____ width___ exp.time_
  2 omega   10.00   43.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601 -125.0000  131.0000 33

#__ type_ start__ end____ width___ exp.time_
  3 omega   48.00   73.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601 -125.0000  131.0000 25

#__ type_ start__ end____ width___ exp.time_
  4 omega  -38.00   25.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000  -90.0000 63

#__ type_ start__ end____ width___ exp.time_
  5 omega    4.00   73.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000 -180.0000 69

#__ type_ start__ end____ width___ exp.time_
  6 omega    6.00   87.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000  -90.0000 81

#__ type_ start__ end____ width___ exp.time_
  7 omega   19.00   75.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   57.0000   90.0000 56

#__ type_ start__ end____ width___ exp.time_
  8 omega  -11.00   89.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601   77.0000    0.0000 100

#__ type_ start__ end____ width___ exp.time_
  9 omega  -50.00   40.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8601  -57.0000  120.0000 90

#__ type_ start__ end____ width___ exp.time_
 10 omega  -84.00  -35.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  120.0000 49

#__ type_ start__ end____ width___ exp.time_
 11 omega  -75.00  -46.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  125.0000 -150.0000 29
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0032966000
_diffrn_orient_matrix_UB_12      0.0072541000
_diffrn_orient_matrix_UB_13      -0.0630459000
_diffrn_orient_matrix_UB_21      -0.0950985000
_diffrn_orient_matrix_UB_22      0.0840820000
_diffrn_orient_matrix_UB_23      0.0099681000
_diffrn_orient_matrix_UB_31      0.1097064000
_diffrn_orient_matrix_UB_32      0.0381374000
_diffrn_orient_matrix_UB_33      -0.0048161000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1499
_reflns_number_total             1798
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.373
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         1798
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0236
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0203P)²+0.1181P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0548
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(Sb1A)=Sof(H1A)=1-FVAR(1)
 Sof(Sb1)=Sof(H1)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7)
3.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_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
Sb1 Sb 0.1908(2) 0.5660(5) 0.41857(18) 0.0249(4) Uani 0.524(8) 1 d . . P A 1
C2 C -0.0947(5) 0.6437(3) 0.2932(2) 0.0197(5) Uani 1 1 d . . . . .
C3 C -0.2383(5) 0.8224(3) 0.3035(2) 0.0206(5) Uani 1 1 d . . . . .
C4 C -0.1468(5) 0.5385(3) 0.2072(2) 0.0253(6) Uani 1 1 d . . . . .
C5 C -0.4319(5) 0.8900(3) 0.2313(2) 0.0222(5) Uani 1 1 d . . . . .
H5 H -0.5265 1.0081 0.2396 0.027 Uiso 1 1 calc R . . . .
C6 C -0.4889(5) 0.7865(3) 0.1470(2) 0.0215(5) Uani 1 1 d . . . . .
C7 C -0.3401(5) 0.6117(3) 0.1362(2) 0.0252(6) Uani 1 1 d . . . . .
H7 H -0.3713 0.5408 0.0789 0.030 Uiso 1 1 calc R . . . .
C8 C -0.1850(6) 0.9452(4) 0.3910(2) 0.0305(6) Uani 1 1 d . . . . .
H8A H -0.2145 0.9035 0.4714 0.046 Uiso 1 1 calc GR . . . .
H8B H -0.3074 1.0598 0.3878 0.046 Uiso 1 1 calc GR . . . .
H8C H 0.0008 0.9501 0.3694 0.046 Uiso 1 1 calc GR . . . .
C9 C -0.7013(6) 0.8598(4) 0.0698(2) 0.0283(6) Uani 1 1 d . . . . .
H9A H -0.7898 0.9804 0.0923 0.043 Uiso 1 1 calc GR . . . .
H9B H -0.8349 0.7956 0.0814 0.043 Uiso 1 1 calc GR . . . .
H9C H -0.6146 0.8502 -0.0135 0.043 Uiso 1 1 calc GR . . . .
C10 C -0.0007(7) 0.3447(3) 0.1911(3) 0.0398(7) Uani 1 1 d . . . . .
H10A H 0.1931 0.3282 0.1698 0.060 Uiso 1 1 calc GR . . . .
H10B H -0.0626 0.2956 0.1282 0.060 Uiso 1 1 calc GR . . . .
H10C H -0.0404 0.2879 0.2652 0.060 Uiso 1 1 calc GR . . . .
Sb1A Sb 0.20684(19) 0.4985(5) 0.39672(17) 0.0250(4) Uani 0.476(8) 1 d . . P A 2
H1 H 0.284(11) 0.661(7) 0.444(5) 0.031(15) Uiso 0.524(8) 1 d . . P A 1
H1A H 0.347(17) 0.341(11) 0.388(7) 0.08(3) Uiso 0.476(8) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 Sb1 2.8589(19) 2_566 ?
Sb1 C2 2.182(3) . ?
Sb1 H1 1.08(6) . ?
C2 C3 1.407(3) . ?
C2 C4 1.404(4) . ?
C2 Sb1A 2.174(3) . ?
C3 C5 1.389(4) . ?
C3 C8 1.516(3) . ?
C4 C7 1.387(4) . ?
C4 C10 1.517(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.392(3) . ?
C6 C7 1.388(4) . ?
C6 C9 1.507(3) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
Sb1A Sb1A 2.862(2) 2_566 ?
Sb1A H1A 1.26(9) . ?

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
Sb1 Sb1 H1 124(3) 2_566 . ?
C2 Sb1 Sb1 91.59(8) . 2_566 ?
C2 Sb1 H1 118(3) . . ?
C3 C2 Sb1 113.4(2) . . ?
C3 C2 Sb1A 128.5(2) . . ?
C4 C2 Sb1 127.9(2) . . ?
C4 C2 C3 118.7(2) . . ?
C4 C2 Sb1A 112.8(2) . . ?
C2 C3 C8 121.6(2) . . ?
C5 C3 C2 119.9(2) . . ?
C5 C3 C8 118.5(2) . . ?
C2 C4 C10 121.7(2) . . ?
C7 C4 C2 119.5(2) . . ?
C7 C4 C10 118.7(2) . . ?
C3 C5 H5 119.0 . . ?
C3 C5 C6 122.1(2) . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C9 121.9(2) . . ?
C7 C6 C5 117.2(2) . . ?
C7 C6 C9 120.9(2) . . ?
C4 C7 C6 122.7(2) . . ?
C4 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C2 Sb1A Sb1A 91.90(8) . 2_566 ?
C2 Sb1A H1A 131(4) . . ?
Sb1A Sb1A H1A 102(4) 2_566 . ?

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
Sb1 C2 C3 C5 -178.53(18) . . . . ?
Sb1 C2 C3 C8 2.2(3) . . . . ?
Sb1 C2 C4 C7 179.14(19) . . . . ?
Sb1 C2 C4 C10 0.4(4) . . . . ?
C2 C3 C5 C6 -0.6(4) . . . . ?
C2 C4 C7 C6 -0.6(4) . . . . ?
C3 C2 C4 C7 -1.0(4) . . . . ?
C3 C2 C4 C10 -179.8(2) . . . . ?
C3 C5 C6 C7 -1.0(4) . . . . ?
C3 C5 C6 C9 179.3(2) . . . . ?
C4 C2 C3 C5 1.6(3) . . . . ?
C4 C2 C3 C8 -177.7(2) . . . . ?
C5 C6 C7 C4 1.7(4) . . . . ?
C8 C3 C5 C6 178.7(2) . . . . ?
C9 C6 C7 C4 -178.7(2) . . . . ?
C10 C4 C7 C6 178.2(3) . . . . ?
Sb1A C2 C3 C5 -177.64(18) . . . . ?
Sb1A C2 C3 C8 3.1(3) . . . . ?
Sb1A C2 C4 C7 178.33(19) . . . . ?
Sb1A C2 C4 C10 -0.4(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method toluene
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
