#------------------------------------------------------------------------------
#$Date: 2021-09-18 02:00:10 +0300 (Sat, 18 Sep 2021) $
#$Revision: 269192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/83/7708308.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7708308
loop_
_publ_author_name
'Eilrich, Volker Jens'
'Grell, Toni'
'Lönnecke, Peter'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02639A
_journal_year                    2021
_chemical_formula_moiety         'C36 H81 P12 Sb'
_chemical_formula_sum            'C36 H81 P12 Sb'
_chemical_formula_weight         1007.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-07-19 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.9570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.0171(2)
_cell_length_b                   23.7666(3)
_cell_length_c                   16.2734(2)
_cell_measurement_reflns_used    33554
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      31.9250
_cell_measurement_theta_min      1.9340
_cell_volume                     5322.47(12)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics
;
 ORTEP3 for Windows
 L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
 or
 DIAMOND Version 4.5.3
 K. Brandenburg, Crystal Impact GbR, Bonn, Germany
;
_computing_publication_material
;
 WINGX
 L.J. Farrugia,
 J. Appl. Cryst., 2012, 45, 849-854.
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXT-2018-2
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.3560
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.1101
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        30.510
_diffrn_reflns_theta_max         32.303
_diffrn_reflns_theta_min         1.958
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92965
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear pale yellow'
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_description       needle
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.053
_refine_diff_density_min         -1.143
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.801
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         40984
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.801
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0207P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0594
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22882
_reflns_number_total             40984
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02639a2.cif
_cod_data_source_block           comp6_x3371fin
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7708308
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_res_file
;
TITL c3371fin in P2(1)/c
    comp6_x3371fin.res
    created by SHELXL-2018/3 at 13:59:04 on 19-Jul-2021
CELL  0.71073  14.0171  23.7666  16.2734   90.000  100.957   90.000
ZERR     4.00   0.0002   0.0003   0.0002    0.000    0.001    0.000
LATT   1
SYMM  - X, 1/2 + Y, 1/2 - Z
SFAC  SB   P    C    H
UNIT  4 48 144 324
MERG   0
FMAP   2
PLAN    5
ACTA    61.02
BOND   $H
L.S.  10
TEMP  -143.00
WGHT    0.020700
BASF   0.06417
FVAR       1.66177
SB1   1    0.712755    0.253157    0.635099    11.00000    0.01338    0.01395 =
         0.01905    0.00023    0.00190   -0.00015
P1    2    0.761014    0.169116    0.730321    11.00000    0.01678    0.01311 =
         0.02046    0.00008    0.00155    0.00089
P2    2    0.794154    0.106826    0.637671    11.00000    0.02551    0.01509 =
         0.02145   -0.00132    0.00111    0.00353
P3    2    0.942904    0.101512    0.714078    11.00000    0.02194    0.02051 =
         0.02340    0.00177    0.00408    0.00711
P4    2    0.919177    0.186331    0.763350    11.00000    0.01530    0.01889 =
         0.01853    0.00144    0.00120    0.00118
P5    2    0.816119    0.318274    0.739329    11.00000    0.01493    0.01432 =
         0.02178    0.00000    0.00180   -0.00136
P6    2    0.895137    0.363587    0.653070    11.00000    0.01535    0.01703 =
         0.02533   -0.00064    0.00542   -0.00214
P7    2    0.829876    0.442344    0.689705    11.00000    0.02217    0.01402 =
         0.02235   -0.00003    0.00423   -0.00194
P8    2    0.713486    0.390322    0.726410    11.00000    0.01737    0.01580 =
         0.01932   -0.00161    0.00379    0.00093
P9    2    0.565654    0.271075    0.701670    11.00000    0.01319    0.01602 =
         0.02031    0.00033    0.00181   -0.00038
P10   2    0.454482    0.286245    0.586709    11.00000    0.01382    0.02243 =
         0.02221    0.00311    0.00166    0.00124
P11   2    0.376770    0.210503    0.618880    11.00000    0.01423    0.02428 =
         0.02075   -0.00232    0.00293   -0.00334
P12   2    0.515435    0.182421    0.697694    11.00000    0.01708    0.01663 =
         0.01784    0.00007    0.00328   -0.00330
C1    3    0.735421    0.039418    0.664036    11.00000    0.02947    0.01337 =
         0.03198   -0.00160   -0.00156    0.00201
C2    3    0.630033    0.041196    0.617299    11.00000    0.03458    0.02187 =
         0.05027   -0.00429   -0.00104   -0.00264
AFIX 137
H2A   4    0.628654    0.046133    0.557297    11.00000   -1.50000
H2B   4    0.596306    0.072721    0.638110    11.00000   -1.50000
H2C   4    0.597556    0.005876    0.626519    11.00000   -1.50000
AFIX   0
C3    3    0.738262    0.029639    0.757298    11.00000    0.04128    0.01592 =
         0.04061    0.00373    0.00832   -0.00252
AFIX 137
H3A   4    0.707704   -0.006552    0.765146    11.00000   -1.50000
H3B   4    0.702971    0.059934    0.779419    11.00000   -1.50000
H3C   4    0.805931    0.029264    0.787128    11.00000   -1.50000
AFIX   0
C4    3    0.790019   -0.007967    0.629230    11.00000    0.04313    0.01713 =
         0.04054   -0.00521   -0.00001    0.00544
AFIX 137
H4A   4    0.759979   -0.044160    0.637992    11.00000   -1.50000
H4B   4    0.858038   -0.008076    0.658197    11.00000   -1.50000
H4C   4    0.787020   -0.002024    0.569201    11.00000   -1.50000
AFIX   0
C5    3    1.025427    0.116760    0.637713    11.00000    0.02722    0.03651 =
         0.03212    0.00046    0.01200    0.00943
C6    3    0.992309    0.164622    0.576902    11.00000    0.04148    0.04056 =
         0.02993    0.00507    0.01767    0.00114
AFIX 137
H6A   4    0.988293    0.199457    0.608287    11.00000   -1.50000
H6B   4    0.928241    0.155735    0.543550    11.00000   -1.50000
H6C   4    1.039059    0.169507    0.539693    11.00000   -1.50000
AFIX   0
C7    3    1.031489    0.061600    0.589257    11.00000    0.05996    0.04547 =
         0.04885   -0.00355    0.02746    0.02046
AFIX 137
H7A   4    1.077099    0.066347    0.550998    11.00000   -1.50000
H7B   4    0.967053    0.052159    0.557091    11.00000   -1.50000
H7C   4    1.054173    0.031202    0.628856    11.00000   -1.50000
AFIX   0
C8    3    1.124581    0.131012    0.691816    11.00000    0.02566    0.07467 =
         0.05070    0.00547    0.01462    0.00874
AFIX 137
H8A   4    1.172227    0.136887    0.655691    11.00000   -1.50000
H8B   4    1.145861    0.099879    0.730447    11.00000   -1.50000
H8C   4    1.118954    0.165370    0.723852    11.00000   -1.50000
AFIX   0
C9    3    0.947665    0.176398    0.880624    11.00000    0.02294    0.02680 =
         0.01892    0.00184   -0.00258   -0.00009
C10   3    0.912977    0.120927    0.910853    11.00000    0.04442    0.03011 =
         0.01958    0.00352    0.00642    0.00130
AFIX 137
H10A  4    0.928638    0.119627    0.972133    11.00000   -1.50000
H10B  4    0.945397    0.089721    0.887914    11.00000   -1.50000
H10C  4    0.842517    0.117646    0.892013    11.00000   -1.50000
AFIX   0
C11   3    1.058100    0.180169    0.905739    11.00000    0.03099    0.07119 =
         0.03173    0.00913   -0.01053   -0.00485
AFIX 137
H11A  4    1.080151    0.216531    0.887933    11.00000   -1.50000
H11B  4    1.087885    0.149727    0.878748    11.00000   -1.50000
H11C  4    1.077154    0.176669    0.966659    11.00000   -1.50000
AFIX   0
C12   3    0.900394    0.224641    0.919907    11.00000    0.05954    0.03273 =
         0.01929   -0.00231   -0.00037    0.00398
AFIX 137
H12A  4    0.829697    0.222744    0.901645    11.00000   -1.50000
H12B  4    0.924273    0.260588    0.902306    11.00000   -1.50000
H12C  4    0.916819    0.221609    0.981026    11.00000   -1.50000
AFIX   0
C13   3    1.024857    0.367548    0.710801    11.00000    0.01495    0.02087 =
         0.04053    0.00190    0.00456   -0.00305
C14   3    1.072557    0.312097    0.693138    11.00000    0.01632    0.02798 =
         0.07227    0.00551    0.01051    0.00036
AFIX 137
H14A  4    1.141371    0.312658    0.719880    11.00000   -1.50000
H14B  4    1.066859    0.307343    0.632580    11.00000   -1.50000
H14C  4    1.040002    0.280762    0.715636    11.00000   -1.50000
AFIX   0
C15   3    1.071106    0.416305    0.670977    11.00000    0.01943    0.02956 =
         0.04924    0.00141    0.00631   -0.00847
AFIX 137
H15A  4    1.040611    0.451769    0.682685    11.00000   -1.50000
H15B  4    1.061483    0.410593    0.610319    11.00000   -1.50000
H15C  4    1.140836    0.417769    0.694430    11.00000   -1.50000
AFIX   0
C16   3    1.036963    0.376579    0.804921    11.00000    0.01922    0.03668 =
         0.04066    0.00530   -0.00717   -0.00653
AFIX 137
H16A  4    1.106290    0.378412    0.829775    11.00000   -1.50000
H16B  4    1.006940    0.345236    0.829780    11.00000   -1.50000
H16C  4    1.005443    0.411899    0.815738    11.00000   -1.50000
AFIX   0
C17   3    0.768880    0.473210    0.586254    11.00000    0.03335    0.02081 =
         0.02443    0.00479    0.00533    0.00753
C18   3    0.710254    0.431366    0.525703    11.00000    0.03434    0.04047 =
         0.01967    0.00291    0.00152    0.00629
AFIX 137
H18A  4    0.681867    0.450709    0.473598    11.00000   -1.50000
H18B  4    0.658212    0.415400    0.551036    11.00000   -1.50000
H18C  4    0.753024    0.401109    0.513579    11.00000   -1.50000
AFIX   0
C19   3    0.849144    0.499871    0.547677    11.00000    0.05035    0.02957 =
         0.03286    0.00997    0.01636    0.00154
AFIX 137
H19A  4    0.820194    0.519459    0.495939    11.00000   -1.50000
H19B  4    0.893211    0.470463    0.535058    11.00000   -1.50000
H19C  4    0.885560    0.526807    0.587264    11.00000   -1.50000
AFIX   0
C20   3    0.700813    0.519132    0.607817    11.00000    0.04780    0.03139 =
         0.03759    0.00844    0.00787    0.01746
AFIX 137
H20A  4    0.738079    0.545815    0.647308    11.00000   -1.50000
H20B  4    0.649948    0.501884    0.633281    11.00000   -1.50000
H20C  4    0.670917    0.539042    0.556642    11.00000   -1.50000
AFIX   0
C21   3    0.714598    0.412104    0.838475    11.00000    0.03193    0.02288 =
         0.02049   -0.00586    0.00865   -0.00121
C22   3    0.658445    0.367850    0.876960    11.00000    0.04586    0.05776 =
         0.02798   -0.01263    0.01977   -0.02223
AFIX 137
H22A  4    0.692230    0.331652    0.878564    11.00000   -1.50000
H22B  4    0.592978    0.364195    0.843150    11.00000   -1.50000
H22C  4    0.653882    0.379140    0.934004    11.00000   -1.50000
AFIX   0
C23   3    0.814921    0.417563    0.892160    11.00000    0.04379    0.04126 =
         0.02036   -0.00459    0.00680   -0.01707
AFIX 137
H23A  4    0.809115    0.428367    0.949118    11.00000   -1.50000
H23B  4    0.851696    0.446419    0.868459    11.00000   -1.50000
H23C  4    0.848915    0.381436    0.893664    11.00000   -1.50000
AFIX   0
C24   3    0.662409    0.468491    0.833212    11.00000    0.07835    0.04543 =
         0.03892   -0.01390    0.01503    0.02523
AFIX 137
H24A  4    0.596790    0.464349    0.799869    11.00000   -1.50000
H24B  4    0.698579    0.496204    0.806687    11.00000   -1.50000
H24C  4    0.658239    0.481242    0.889690    11.00000   -1.50000
AFIX   0
C25   3    0.379780    0.346729    0.615289    11.00000    0.01654    0.02183 =
         0.03384    0.00429   -0.00047    0.00489
C26   3    0.283945    0.344975    0.551826    11.00000    0.01850    0.03532 =
         0.04370    0.00301   -0.00256    0.00850
AFIX 137
H26A  4    0.243734    0.377284    0.560853    11.00000   -1.50000
H26B  4    0.249293    0.310051    0.559055    11.00000   -1.50000
H26C  4    0.297483    0.346466    0.494960    11.00000   -1.50000
AFIX   0
C27   3    0.358768    0.344726    0.703780    11.00000    0.02442    0.03408 =
         0.03952   -0.00510    0.00630    0.01146
AFIX 137
H27A  4    0.420157    0.345228    0.744343    11.00000   -1.50000
H27B  4    0.323032    0.310189    0.710938    11.00000   -1.50000
H27C  4    0.319607    0.377473    0.712945    11.00000   -1.50000
AFIX   0
C28   3    0.436425    0.400262    0.603693    11.00000    0.02614    0.02475 =
         0.05082    0.00370   -0.00059    0.00362
AFIX 137
H28A  4    0.449272    0.401415    0.546588    11.00000   -1.50000
H28B  4    0.498170    0.400373    0.643805    11.00000   -1.50000
H28C  4    0.398108    0.433283    0.613262    11.00000   -1.50000
AFIX   0
C29   3    0.369036    0.164109    0.523482    11.00000    0.02287    0.03126 =
         0.02005   -0.00682    0.00090   -0.00708
C30   3    0.283603    0.186072    0.459016    11.00000    0.02879    0.05476 =
         0.02779   -0.00958   -0.00398   -0.00475
AFIX 137
H30A  4    0.295786    0.225255    0.445332    11.00000   -1.50000
H30B  4    0.224035    0.183983    0.482124    11.00000   -1.50000
H30C  4    0.276132    0.163083    0.408202    11.00000   -1.50000
AFIX   0
C31   3    0.347715    0.104734    0.551918    11.00000    0.03377    0.03311 =
         0.03933   -0.01332    0.00785   -0.01172
AFIX 137
H31A  4    0.339749    0.079023    0.504018    11.00000   -1.50000
H31B  4    0.287887    0.105246    0.574778    11.00000   -1.50000
H31C  4    0.401871    0.091954    0.595148    11.00000   -1.50000
AFIX   0
C32   3    0.460929    0.162925    0.486001    11.00000    0.03018    0.03688 =
         0.02196   -0.00763    0.00593   -0.00153
AFIX 137
H32A  4    0.515365    0.148840    0.527842    11.00000   -1.50000
H32B  4    0.475623    0.201046    0.469105    11.00000   -1.50000
H32C  4    0.450789    0.138129    0.436995    11.00000   -1.50000
AFIX   0
C33   3    0.485700    0.170186    0.804725    11.00000    0.02650    0.02583 =
         0.01975    0.00343    0.00748   -0.00434
C34   3    0.410941    0.210581    0.827556    11.00000    0.03406    0.06393 =
         0.02012    0.00060    0.01002    0.00675
AFIX 137
H34A  4    0.401493    0.202627    0.884557    11.00000   -1.50000
H34B  4    0.349163    0.205852    0.788295    11.00000   -1.50000
H34C  4    0.433921    0.249334    0.824552    11.00000   -1.50000
AFIX   0
C35   3    0.447033    0.110144    0.802778    11.00000    0.07968    0.04338 =
         0.04094    0.00592    0.02774   -0.02737
AFIX 137
H35A  4    0.386254    0.107516    0.761681    11.00000   -1.50000
H35B  4    0.434958    0.100034    0.858284    11.00000   -1.50000
H35C  4    0.495033    0.084290    0.787118    11.00000   -1.50000
AFIX   0
C36   3    0.579603    0.175208    0.869020    11.00000    0.03495    0.05366 =
         0.02172    0.00950    0.00537    0.00171
AFIX 137
H36A  4    0.604613    0.213700    0.868744    11.00000   -1.50000
H36B  4    0.627774    0.148821    0.854951    11.00000   -1.50000
H36C  4    0.566865    0.166337    0.924750    11.00000   -1.50000
AFIX   0
HKLF    5




REM  c3371fin in P2(1)/c
REM wR2 = 0.0594, GooF = S = 0.801, Restrained GooF = 0.801 for all data
REM R1 = 0.0363 for 22882 Fo > 4sig(Fo) and 0.0827 for all 40984 data
REM 470 parameters refined using 0 restraints

END

WGHT      0.0207      0.0000

REM Highest difference peak  1.053,  deepest hole -1.143,  1-sigma level  0.147
Q1    1   0.5631  0.2317  0.6986  11.00000  0.05    1.05
Q2    1   0.7134  0.2513  0.6716  11.00000  0.05    1.02
Q3    1   0.7615  0.3368  0.7240  11.00000  0.05    0.81
Q4    1   0.7880  0.2306  0.5673  11.00000  0.05    0.73
Q5    1   0.8525  0.2298  1.0705  11.00000  0.05    0.73
;
_shelx_res_checksum              99594
_shelx_hkl_file
;
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   2 -13 -12 36736.3 387.817   1
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   8  -7  -9 3725.71 398.560  -2
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   2 -13  -7 15907.1 403.717   1
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   9  -7 -13 1803.74 375.805  -2
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   6  -6   7 92.3705 401.859  -2
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   8  -8  -7 575.178 301.827  -2
   2  14  -7 575.178 301.827   1
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   2  14  -5 4.04613 161.685   1
   7  -5   5 328.185 271.880  -2
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   7  -9  -4 15669.7 289.079  -2
   2  14  -4 15669.7 289.079   1
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   7  -5   3 2554.86 323.707  -2
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   7  -9  -3 2945.22 313.366  -2
   2  14  -3 2945.22 313.366   1
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   2  14  -1 1450.73 474.857   1
   8  -4   1 1722.83 259.988  -2
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   9  -9  -9 994.886 500.407  -2
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   7  -7   7 234.597 416.752  -2
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   9  -9  -7 460.145 391.274  -2
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   5   0 -24-258.486 1095.42   2
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   8 -12  10 1158.81 336.574   2
   8 -12  11 824.453 679.244   2
   8 -12  14 278.830 421.903   2
   8 -12  15 51.8302 706.378   2
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   8 -13 -20 390.391 559.458   2
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   8 -13  -8 724.206 242.299   2
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   8 -13  -4 838.202 220.846   2
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   8 -13   1-49.2221 429.029   2
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   8  13   9-103.885 610.756   2
   8 -13  12 819.868 383.537   2
   8 -13  16-159.148 465.787   2
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   8 -14  -1-250.688 469.267   2
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   8 -14  14-29.5476 386.592   2
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   8 -15 -20 344.036 751.861   2
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   8 -15   0 665.245 181.453   2
   8 -15   1 140.606 349.160   2
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   8 -15   8 827.307 358.363   2
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   9 -14   8 997.117 442.944   2
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   9  19 -17-84.1585 921.374   2
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   9 -19  -1 130.746 615.637   2
   9 -19   2 729.002 309.982   2
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   9 -19  14 526.728 541.471   2
   9  20 -17 247.816 1114.21   2
   9 -20 -16-26.7447 503.251   2
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  17   6 -12 487.132 408.387   2
  17  -6  -8 135.300 386.922   2
  17  -6  -4 634.621 372.734   2
  17  -6   0 505.078 397.314   2
  17  -6   4-31.4526 453.707   2
  17   6   8 12.9560 506.850   2
 -17   6  -9-536.486 958.873   2
  17   7 -14 456.054 475.611   2
  17   7 -10 632.538 495.671   2
  17  -7  -6 20.2608 345.659   2
  17  -7  -2 1074.87 414.081   2
  17  -7   2 166.512 394.352   2
  17   7   6 272.330 417.393   2
  17   7   7-116.938 1042.04   2
  17   8 -16-40.9202 699.498   2
  17   8 -12 639.867 414.348   2
  17  -8  -8 532.214 434.025   2
  17  -8  -4 618.340 351.907   2
  17  -8   0 107.747 408.158   2
  17   8   4-340.637 436.138   2
  17  -8   8-21.7937 766.266   2
 -17   8  -9-217.921 903.271   2
  17   9 -14 543.499 509.586   2
  17   9 -10 586.515 505.112   2
  17  -9  -6 870.521 409.340   2
  17  -9  -2 1021.58 382.428   2
  17  -9   2 202.797 373.566   2
  17   9   6 1024.08 492.852   2
  17  10 -12 381.593 525.445   2
  17 -10  -8 1065.17 469.571   2
  17 -10  -4 919.340 370.527   2
  17 -10   0 430.372 463.008   2
  17  10   1 495.898 906.055   2
  17  10   4 132.651 445.854   2
  17  11 -14 104.186 460.424   2
  17 -11 -10 88.2764 457.639   2
  17 -11  -6 772.080 454.339   2
  17 -11  -2 654.598 475.591   2
  17  11   2 602.721 409.778   2
  17 -11   3-61.5823 940.567   2
  17  11   6 175.022 436.561   2
  17 -11   7 259.098 885.453   2
  17 -12 -12 301.138 472.914   2
  17 -12  -8 543.396 473.832   2
  17 -12  -4 105.631 399.095   2
  17 -12   0 815.026 477.623   2
  17 -12   1-91.0706 579.054   2
  17  12   4 519.242 456.878   2
  17 -12   5-20.5715 953.165   2
  17  13 -14-103.040 513.829   2
  17  13 -13-25.5474 770.129   2
  17 -13 -10 475.966 481.797   2
  17 -13  -6 154.227 456.625   2
  17 -13  -2 89.2922 437.472   2
  17 -13   2 539.610 453.094   2
  17  13   3 179.597 660.672   2
  17  13   6-151.396 583.794   2
  17  13   7 7.66745 844.401   2
  17  14 -12 358.706 545.004   2
  17 -14  -8 260.152 482.311   2
  17 -14  -4-92.7803 494.742   2
  17 -14   0 453.441 431.639   2
  17 -14   1 350.652 676.255   2
  17  14   4 315.446 523.398   2
  17  15 -13-196.397 763.694   2
  17 -15 -10 286.563 500.823   2
  17 -15  -6 135.031 478.863   2
  17 -15  -2 203.297 400.586   2
  17 -15   2 484.340 523.635   2
 -17 -15  -3 226.483 1035.71   2
 -17 -16  11 353.897 961.773   2
  17 -16  -8 446.154 493.257   2
  17 -16  -4 812.616 536.954   2
  17 -16  -3 11.4995 914.655   2
  17  16   0 327.869 521.853   2
  17 -16   4-32.3824 1109.11   2
  17  16   5 77.6423 1014.63   2
 -17 -17  10-102.914 1224.87   2
 -17 -17   9 215.852 994.315   2
  17 -17  -6 1022.64 463.121   2
  17 -17  -2 231.039 392.339   2
  17 -17   2 310.039 1068.22   2
 -17 -18   8-460.059 1223.51   2
  17 -18  -4 864.203 501.334   2
  17  18  -3 254.176 793.254   2
 -17  19   6 470.696 1302.62   2
  17 -19  -2 77.4808 837.254   2
  17 -20  -4 796.656 756.157   2
  18   0 -14 159.280 653.961   2
  18   0 -10 800.082 779.523   2
  18   0  -6 829.200 752.648   2
  18   0  -2-515.050 690.469   2
  18   0   2 305.458 509.099   2
  18   0   4 4457.23 853.574   2
 -18   0  -6-197.659 705.993   2
  18  -1 -12 255.208 505.620   2
  18  -1  -8 1068.81 556.950   2
  18  -1  -4 247.263 498.427   2
  18  -1   0 154.305 370.366   2
 -18   1  -1 586.230 1011.83   2
  18   1   4 238.788 412.530   2
  18   1   8 1071.70 1100.06   2
  18  -2 -14 137.778 650.286   2
  18  -2 -10 797.232 509.528   2
  18  -2  -6 1163.11 519.272   2
  18  -2  -2 75.6775 401.693   2
  18  -2   2 590.285 361.637   2
  18  -2   6 610.922 454.018   2
 -18  -2  -7 390.378 1029.79   2
  18  -3 -12 168.426 509.174   2
  18  -3  -8 1004.56 530.128   2
  18  -3  -4 543.925 485.047   2
  18  -3   0 219.566 398.011   2
  18   3   4 730.723 418.334   2
  18   3   8 395.046 1063.00   2
  18  -4 -14 563.442 855.023   2
  18  -4 -10-105.421 507.771   2
  18  -4  -6 939.402 536.555   2
  18  -4  -2 834.416 418.168   2
 -18  -4   1-181.639 1009.43   2
  18  -4   2 349.543 409.377   2
  18  -4   6 519.765 451.055   2
  18   5 -12 237.098 577.747   2
  18  -5  -8 35.6504 402.770   2
  18  -5  -4 1326.52 421.375   2
  18  -5   0 205.569 404.286   2
  18   5   4 129.108 547.126   2
  18  -5   5-173.507 1034.32   2
  18   6 -14 128.973 1188.67   2
  18  -6 -10 245.060 492.641   2
  18  -6  -6 151.442 410.294   2
  18  -6  -2 1065.62 437.586   2
  18  -6   2 109.846 405.740   2
  18  -6   6 75.9679 614.690   2
  18   7 -15 215.509 775.521   2
  18   7 -12 451.929 664.608   2
  18   7  -8-95.1426 455.622   2
  18  -7  -4 673.753 420.589   2
  18  -7   0 190.136 471.250   2
  18   7   4 121.447 566.601   2
  18   8 -10 376.034 501.986   2
  18  -8  -6 15.4736 365.854   2
  18  -8  -2 625.916 481.591   2
  18   8   2 173.115 496.596   2
  18  -8   6 388.471 1058.12   2
  18   9 -12 395.469 682.634   2
  18   9  -8 597.472 478.358   2
  18  -9  -4 489.396 408.789   2
 -18  -9   3 17.3393 1013.44   2
  18  -9   0-108.202 477.521   2
  18  -9   4 322.560 504.221   2
  18  10 -10 611.337 533.483   2
  18 -10  -6 498.329 382.857   2
  18 -10  -2 513.824 483.859   2
  18  10   2 156.246 613.210   2
  18  10   6-134.498 810.430   2
  18  11 -12 20.5032 695.428   2
  18 -11  -8 549.008 470.545   2
  18 -11  -4 438.438 380.721   2
  18 -11   0 468.323 492.274   2
  18  11   4-51.5755 575.638   2
  18  11   5-7.05096 684.260   2
  18 -12 -10 42.5102 483.691   2
  18 -12  -6 371.278 475.913   2
  18 -12  -2 543.794 508.309   2
  18  12   2 81.1530 607.895   2
 -18 -13  12-97.3259 899.445   2
  18 -13  -8 283.708 486.756   2
  18 -13  -4 174.155 456.040   2
  18  13   0 742.236 633.266   2
  18  13   4 28.6941 735.974   2
 -18 -14  10-191.551 923.763   2
  18 -14  -6 24.4529 489.012   2
  18 -14  -2 178.605 524.418   2
  18  14  -1 64.8180 1099.70   2
  18 -14   3 138.281 1076.44   2
 -18 -15   8 301.805 765.882   2
  18 -15  -4 495.262 522.218   2
 -18 -15   3-293.518 1039.13   2
  18 -16  -2-202.125 863.731   2
 -18 -17   7 114.972 1178.29   2
  18 -17  -4 355.569 769.296   2
  18 -18  -2 167.323 797.750   2
  19   0  -8-84.0202 761.093   2
  19   0  -4-12.1837 729.820   2
  19   0   0 1155.11 960.799   2
 -19   0  -4 94.5001 668.866   2
  19  -1 -10 223.266 578.765   2
  19  -1  -6 236.218 532.823   2
  19  -1  -2 711.140 514.213   2
  19  -1   2 234.587 450.719   2
  19  -1   3-89.8418 574.030   2
  19  -2  -8 191.121 550.201   2
  19  -2  -4 70.9696 535.221   2
  19  -2   0 915.659 415.695   2
 -19  -2  -4 273.303 596.979   2
 -19  -2  -5 929.916 932.704   2
  19  -3 -10 253.578 575.897   2
  19  -3  -6 733.842 534.620   2
  19  -3  -2 749.437 499.898   2
  19  -3   2 194.316 456.657   2
 -19   4  11 257.423 1140.30   2
  19  -4  -8 347.118 554.761   2
  19  -4  -4 984.948 528.973   2
  19  -4   0 283.793 424.126   2
 -19   4  -1 16.9369 1138.71   2
  19   4   4 192.323 522.716   2
  19  -5 -10-242.070 520.575   2
  19  -5  -6 249.264 548.815   2
  19  -5  -2 428.645 479.030   2
  19   5   2-552.441 554.198   2
  19  -6  -8 193.592 512.689   2
  19  -6  -4 1178.90 551.774   2
  19  -6   0-227.996 483.166   2
  19   6   4 358.880 681.410   2
  19   7 -10 152.608 677.369   2
  19  -7  -6 212.587 544.278   2
  19  -7  -2 224.973 487.751   2
  19   7   2 308.745 510.088   2
 -19  -7  -3 503.122 970.445   2
  19  -8  -8 95.6719 434.184   2
  19  -8  -4 665.621 464.435   2
  19  -8   0-4.98618 495.682   2
 -19  -9  10 296.736 814.206   2
  19  -9  -6 349.060 389.774   2
  19  -9  -2 294.194 511.883   2
  19   9   2 116.020 606.798   2
  19   9   3 599.009 1022.95   2
 -19 -10   8 186.816 600.785   2
  19  10  -7 152.769 665.156   2
  19 -10  -4 846.762 510.804   2
  19 -10   0 109.919 493.683   2
 -19 -10  -1 183.502 987.651   2
 -19 -11  10 172.775 830.811   2
 -19 -11   9 211.513 1181.89   2
  19 -11  -6 804.969 457.772   2
 -19 -11   5 93.7184 824.887   2
  19 -11  -2 1237.83 600.631   2
 -19  11  -2-351.741 1256.51   2
 -19 -12   8 227.086 632.313   2
  19 -12  -4 374.208 690.732   2
 -19 -13   6 92.8975 597.419   2
  19 -13  -2 455.032 875.027   2
 -19 -14   7 83.9637 1189.17   2
  19 -14  -3 662.690 973.581   2
  20   0  -6 552.354 759.248   2
  20   0  -2 748.702 728.870   2
  20   0   2-76.5361 814.123   2
 -20  -1   8-218.760 1225.08   2
  20  -1  -4-140.995 531.305   2
  20  -1   0 1371.26 690.291   2
  20  -2  -6 17.7347 552.840   2
  20   2  -5-363.160 1015.35   2
  20  -2  -2 783.597 615.291   2
  20  -2   2 329.829 516.703   2
  20   2   3-233.438 793.524   2
 -20  -3   8 126.157 1176.15   2
 -20   3   7 177.688 1235.57   2
  20  -3  -4 440.507 568.436   2
  20   3  -3 291.404 973.493   2
  20  -3   0 655.091 666.496   2
  20   3   1 12.5618 518.803   2
 -20   4   6 355.680 858.627   2
  20  -4  -2 711.676 620.066   2
  20   4  -1-574.353 967.633   2
 -20  -4  -2 53.4532 674.259   2
  20  -5  -4 1224.15 647.257   2
  20  -5   0 130.350 543.116   2
  20  -5   1 350.647 599.984   2
 -20  -6   6 330.409 1163.42   2
 -20   6   5 98.2414 1217.30   2
  20  -6  -2 45.3019 744.188   2
  20  -7  -3 680.095 768.701   2
  20  -7   0 26.7883 548.119   2
 -20   7  -1-465.082 1196.34   2
 -20  -8   6 407.682 1141.78   2
  20  -8  -2-13.5171 627.689   2
  20  -8  -1 17.4821 605.809   2
 -20  -9   8 423.212 811.130   2
 -20  -9   4 605.719 788.997   2
 -20 -10   6 686.693 820.319   2
   0   0   0 0.00000 0.00000   0
_audit_creation_date           2021-04-07
_audit_creation_method         'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection     'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement     'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction      'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_cell_length_a                  14.01705(18)
_cell_length_b                  23.7666(3)
_cell_length_c                  16.2734(2)
_cell_angle_alpha               90.0
_cell_angle_beta                100.9575(13)
_cell_angle_gamma               90.0
_cell_volume                    5322.43(12)
_cell_formula_units_Z           4
_cell_measurement_temperature   136(9)
_cell_measurement_reflns_used   33554
_cell_measurement_theta_min     1.9340
_cell_measurement_theta_max     31.9250
_cell_oxdiff_length_a                  14.0149(2)
_cell_oxdiff_length_b                  23.7713(4)
_cell_oxdiff_length_c                  16.2728(3)
_cell_oxdiff_angle_alpha               90.0643(13)
_cell_oxdiff_angle_beta                100.9614(14)
_cell_oxdiff_angle_gamma               89.9645(13)
_cell_oxdiff_volume                    5322.43(15)
_cell_oxdiff_measurement_reflns_used   23579
_exptl_crystal_description                needle
_exptl_crystal_colour                     'clear pale yellow'
_exptl_crystal_size_max                             0.70
_exptl_crystal_size_mid                             0.11
_exptl_crystal_size_min                             0.08
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
   0    1    0 0.0493
   0   -1    0 0.0329
  -1    0    0 0.0617
   1    0    0 0.0478
   0    0    1 0.3519
   0    0   -1 0.3124
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
 0.0003  0.9995 -0.0006 -0.0276 -0.0098  0.0055
-0.0003 -0.9995  0.0006  0.0276  0.0098 -0.0055
-0.9992 -0.0001 -0.0004 -0.0178  0.0482 -0.0041
 0.9992  0.0001  0.0004  0.0178 -0.0482  0.0041
 0.0003  0.0004  0.9992 -0.0034 -0.0139 -0.0420
-0.0003 -0.0004 -0.9992  0.0034  0.0139  0.0420
_exptl_absorpt_coefficient_mu                       0.910
_exptl_absorpt_correction_T_min                   0.92965
_exptl_absorpt_correction_T_max                   1.00000
_exptl_absorpt_correction_type            multi-scan
_exptl_absorpt_process_details
)
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
)
_oxdiff_exptl_absorpt_empirical_full_min           0.900
_oxdiff_exptl_absorpt_empirical_full_max           1.129
_oxdiff_exptl_absorpt_empirical_details
)
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
)
_diffrn_ambient_temperature 136(9)
_diffrn_ambient_environment N~2~
_diffrn_source 'fine-focus sealed X-ray tube'
_diffrn_source_type 'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_monochromator graphite
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'Xcalibur, Sapphire3, Gemini'
_diffrn_detector 'CCD plate'
_diffrn_detector_type Sapphire3
_diffrn_detector_area_resol_mean 16.3560
_diffrn_reflns_number 149990
_diffrn_reflns_av_R_equivalents 0.0518
_diffrn_reflns_av_sigmaI/netI 0.1318
_diffrn_reflns_limit_h_min -20
_diffrn_reflns_limit_h_max 21
_diffrn_reflns_limit_k_min -35
_diffrn_reflns_limit_k_max 35
_diffrn_reflns_limit_l_min -24
_diffrn_reflns_limit_l_max 23
_diffrn_reflns_theta_min 1.9574
_diffrn_reflns_theta_max 32.3156
_diffrn_measured_fraction_theta_max 0.7554
_diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       0.0178450000
_diffrn_orient_matrix_UB_12      -0.0276633000
_diffrn_orient_matrix_UB_13      -0.0034455000
_diffrn_orient_matrix_UB_21      -0.0481894000
_diffrn_orient_matrix_UB_22      -0.0097628000
_diffrn_orient_matrix_UB_23      -0.0138609000
_diffrn_orient_matrix_UB_31       0.0040885000
_diffrn_orient_matrix_UB_32       0.0054523000
_diffrn_orient_matrix_UB_33      -0.0420321000
_diffrn_measurement_details
)
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
#--------------------------------------------------------------------------
  1  \w     75.00 112.00   1.00   30.00    --   29.52 179.00  60.00   37
  2  \w     12.00 100.00   1.00   30.00    --   29.52  57.00 -90.00   88
  3  \w    -19.00  75.00   1.00   30.00    --   29.52 -99.00 120.00   94
  4  \w     19.00  74.00   1.00   30.00    --   29.52  57.00-150.00   55
  5  \w   -114.00 -89.00   1.00   30.00    --  -31.55-179.00 150.00   25
  6  \w    -40.00  54.00   1.00   30.00    --   29.52 -57.00 150.00   94
  7  \w     42.00  85.00   1.00   30.00    --   29.52  57.00   0.00   43
  8  \w     35.00  62.00   1.00   30.00    --   29.52  57.00 -60.00   27
  9  \w     70.00  98.00   1.00   30.00    --   29.52  57.00 -60.00   28
 10  \w     48.00  74.00   1.00   30.00    --   29.52 -99.00   0.00   26
 11  \w     18.00  43.00   1.00   30.00    --  -31.55  37.00-150.00   25
 12  \w    -90.00 -62.00   1.00   30.00    --  -31.55-179.00 -60.00   28
 13  \w    -41.00  55.00   1.00   30.00    --   29.52 -57.00 -30.00   96
 14  \w      4.00 100.00   1.00   30.00    --   29.52  57.00  30.00   96
 15  \w     38.00 112.00   1.00   30.00    --   29.52 179.00   0.00   74
 16  \w      4.00  29.00   1.00   30.00    --   29.52  57.00-150.00   25
 17  \w      4.00 100.00   1.00   30.00    --   29.52  57.00 120.00   96
)
_diffrn_measurement_method '\w scans'
_oxdiff_twin_items       2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.8180 36563 77240 ref  1.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  1.0000
2 0.1820 36187 77240 nmt -0.5017 -0.5020 -0.2495  1.5040 -0.5031  0.2506 -0.0042  0.0011  1.0038
_oxdiff_twin_integration_method simultaneous
_twin_special_details
)
Component 2 rotated by 120.0045\%
around [-0.16 0.00 0.99] (reciprocal) or [-0.00 0.00 1.00] (direct)
)

_computing_structure_solution 'SHELXT-2018-2'
_computing_molecular_graphics
)
 ORTEP3 for Windows
 L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
 or
 DIAMOND Version 4.5.3
 K. Brandenburg, Crystal Impact GbR, Bonn, Germany
)
_computing_publication_material
)
 WINGX
 L.J. Farrugia,
 J. Appl. Cryst., 2012, 45, 849-854.
)

_atom_sites_solution_primary      dual
_atom_sites_solution_secondary    difmap
_chemical_absolute_configuration  ?
_chemical_formula_moiety      'C36 H81 P12 Sb'
_refine_special_details
)
 Refined as a 2-component twin.

 For the un-twinned structure solution the remaining residual electron
 density was unacceptably high. The analysis of the original data reveal,
 that the crystals needle had been contaminated or co-crystallized with a
 very small amount of a second needle. After the Twin refinement this
 high residual electron density vanished.

 Twin domain ratio: 0.9358(1) : 0.0642(1).
 Twin law by rows
 1.0000  0.0000  0.0000  0.0000  1.0000  0.0000  0.0000  0.0000  1.0000
-0.5017 -0.5020 -0.2495  1.5040 -0.5031  0.2506 -0.0042  0.0011  1.0038

 The reflection 1 0 -2 is not affected by the beam stop and the relatively
 high  Error/esd-ratio is most likely caused by the twin analysis.
)
;
_shelx_hkl_checksum              15314
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.71276(2) 0.25316(2) 0.63510(2) 0.01562(3) Uani 1 1 d . . . . .
P1 P 0.76101(4) 0.16912(2) 0.73032(3) 0.01704(11) Uani 1 1 d . . . . .
P2 P 0.79415(4) 0.10683(2) 0.63767(3) 0.02113(12) Uani 1 1 d . . . . .
P3 P 0.94290(4) 0.10151(2) 0.71408(3) 0.02198(12) Uani 1 1 d . . . . .
P4 P 0.91918(4) 0.18633(2) 0.76335(3) 0.01784(11) Uani 1 1 d . . . . .
P5 P 0.81612(4) 0.31827(2) 0.73933(3) 0.01723(11) Uani 1 1 d . . . . .
P6 P 0.89514(4) 0.36359(2) 0.65307(3) 0.01903(12) Uani 1 1 d . . . . .
P7 P 0.82988(4) 0.44234(2) 0.68971(3) 0.01951(12) Uani 1 1 d . . . . .
P8 P 0.71349(4) 0.39032(2) 0.72641(3) 0.01745(11) Uani 1 1 d . . . . .
P9 P 0.56565(4) 0.27107(2) 0.70167(3) 0.01669(11) Uani 1 1 d . . . . .
P10 P 0.45448(4) 0.28625(2) 0.58671(3) 0.01972(12) Uani 1 1 d . . . . .
P11 P 0.37677(4) 0.21050(2) 0.61888(3) 0.01981(12) Uani 1 1 d . . . . .
P12 P 0.51544(4) 0.18242(2) 0.69769(3) 0.01719(11) Uani 1 1 d . . . . .
C1 C 0.73542(17) 0.03942(8) 0.66404(14) 0.0259(5) Uani 1 1 d . . . . .
C2 C 0.63003(18) 0.04120(9) 0.61730(15) 0.0368(6) Uani 1 1 d . . . . .
H2A H 0.628654 0.046133 0.557297 0.055 Uiso 1 1 calc R U . . .
H2B H 0.596306 0.072721 0.638110 0.055 Uiso 1 1 calc R U . . .
H2C H 0.597556 0.005876 0.626519 0.055 Uiso 1 1 calc R U . . .
C3 C 0.73826(18) 0.02964(9) 0.75730(14) 0.0325(6) Uani 1 1 d . . . . .
H3A H 0.707704 -0.006552 0.765146 0.049 Uiso 1 1 calc R U . . .
H3B H 0.702971 0.059934 0.779419 0.049 Uiso 1 1 calc R U . . .
H3C H 0.805931 0.029264 0.787128 0.049 Uiso 1 1 calc R U . . .
C4 C 0.79002(18) -0.00797(9) 0.62923(14) 0.0346(6) Uani 1 1 d . . . . .
H4A H 0.759979 -0.044160 0.637992 0.052 Uiso 1 1 calc R U . . .
H4B H 0.858038 -0.008076 0.658197 0.052 Uiso 1 1 calc R U . . .
H4C H 0.787020 -0.002024 0.569201 0.052 Uiso 1 1 calc R U . . .
C5 C 1.02543(17) 0.11676(10) 0.63771(14) 0.0311(6) Uani 1 1 d . . . . .
C6 C 0.99231(19) 0.16462(10) 0.57690(14) 0.0359(6) Uani 1 1 d . . . . .
H6A H 0.988293 0.199457 0.608287 0.054 Uiso 1 1 calc R U . . .
H6B H 0.928241 0.155735 0.543550 0.054 Uiso 1 1 calc R U . . .
H6C H 1.039059 0.169507 0.539693 0.054 Uiso 1 1 calc R U . . .
C7 C 1.0315(2) 0.06160(11) 0.58926(16) 0.0492(8) Uani 1 1 d . . . . .
H7A H 1.077099 0.066347 0.550998 0.074 Uiso 1 1 calc R U . . .
H7B H 0.967053 0.052159 0.557091 0.074 Uiso 1 1 calc R U . . .
H7C H 1.054173 0.031202 0.628856 0.074 Uiso 1 1 calc R U . . .
C8 C 1.12458(18) 0.13101(12) 0.69182(16) 0.0494(7) Uani 1 1 d . . . . .
H8A H 1.172227 0.136887 0.655691 0.074 Uiso 1 1 calc R U . . .
H8B H 1.145861 0.099879 0.730447 0.074 Uiso 1 1 calc R U . . .
H8C H 1.118954 0.165370 0.723852 0.074 Uiso 1 1 calc R U . . .
C9 C 0.94767(16) 0.17640(9) 0.88062(12) 0.0238(5) Uani 1 1 d . . . . .
C10 C 0.91298(18) 0.12093(9) 0.91085(13) 0.0313(6) Uani 1 1 d . . . . .
H10A H 0.928638 0.119627 0.972133 0.047 Uiso 1 1 calc R U . . .
H10B H 0.945397 0.089721 0.887914 0.047 Uiso 1 1 calc R U . . .
H10C H 0.842517 0.117646 0.892013 0.047 Uiso 1 1 calc R U . . .
C11 C 1.05810(18) 0.18017(12) 0.90574(15) 0.0468(7) Uani 1 1 d . . . . .
H11A H 1.080151 0.216531 0.887933 0.070 Uiso 1 1 calc R U . . .
H11B H 1.087885 0.149727 0.878748 0.070 Uiso 1 1 calc R U . . .
H11C H 1.077154 0.176669 0.966659 0.070 Uiso 1 1 calc R U . . .
C12 C 0.9004(2) 0.22464(10) 0.91991(14) 0.0382(6) Uani 1 1 d . . . . .
H12A H 0.829697 0.222744 0.901645 0.057 Uiso 1 1 calc R U . . .
H12B H 0.924273 0.260588 0.902306 0.057 Uiso 1 1 calc R U . . .
H12C H 0.916819 0.221609 0.981026 0.057 Uiso 1 1 calc R U . . .
C13 C 1.02486(15) 0.36755(9) 0.71080(14) 0.0255(5) Uani 1 1 d . . . . .
C14 C 1.07256(17) 0.31210(9) 0.69314(17) 0.0386(6) Uani 1 1 d . . . . .
H14A H 1.141371 0.312658 0.719880 0.058 Uiso 1 1 calc R U . . .
H14B H 1.066859 0.307343 0.632580 0.058 Uiso 1 1 calc R U . . .
H14C H 1.040002 0.280762 0.715636 0.058 Uiso 1 1 calc R U . . .
C15 C 1.07111(17) 0.41630(9) 0.67098(15) 0.0328(6) Uani 1 1 d . . . . .
H15A H 1.040611 0.451769 0.682685 0.049 Uiso 1 1 calc R U . . .
H15B H 1.061483 0.410593 0.610319 0.049 Uiso 1 1 calc R U . . .
H15C H 1.140836 0.417769 0.694430 0.049 Uiso 1 1 calc R U . . .
C16 C 1.03696(17) 0.37658(10) 0.80492(14) 0.0339(6) Uani 1 1 d . . . . .
H16A H 1.106290 0.378412 0.829775 0.051 Uiso 1 1 calc R U . . .
H16B H 1.006940 0.345236 0.829780 0.051 Uiso 1 1 calc R U . . .
H16C H 1.005443 0.411899 0.815738 0.051 Uiso 1 1 calc R U . . .
C17 C 0.76888(17) 0.47321(9) 0.58625(13) 0.0262(5) Uani 1 1 d . . . . .
C18 C 0.71025(17) 0.43137(10) 0.52570(13) 0.0320(6) Uani 1 1 d . . . . .
H18A H 0.681867 0.450709 0.473598 0.048 Uiso 1 1 calc R U . . .
H18B H 0.658212 0.415400 0.551036 0.048 Uiso 1 1 calc R U . . .
H18C H 0.753024 0.401109 0.513579 0.048 Uiso 1 1 calc R U . . .
C19 C 0.84914(19) 0.49987(10) 0.54768(14) 0.0365(6) Uani 1 1 d . . . . .
H19A H 0.820194 0.519459 0.495939 0.055 Uiso 1 1 calc R U . . .
H19B H 0.893211 0.470463 0.535058 0.055 Uiso 1 1 calc R U . . .
H19C H 0.885560 0.526807 0.587264 0.055 Uiso 1 1 calc R U . . .
C20 C 0.70081(19) 0.51913(10) 0.60782(15) 0.0390(6) Uani 1 1 d . . . . .
H20A H 0.738079 0.545815 0.647308 0.058 Uiso 1 1 calc R U . . .
H20B H 0.649948 0.501884 0.633281 0.058 Uiso 1 1 calc R U . . .
H20C H 0.670917 0.539042 0.556642 0.058 Uiso 1 1 calc R U . . .
C21 C 0.71460(17) 0.41210(9) 0.83848(12) 0.0246(5) Uani 1 1 d . . . . .
C22 C 0.6584(2) 0.36785(11) 0.87696(14) 0.0422(7) Uani 1 1 d . . . . .
H22A H 0.692230 0.331652 0.878564 0.063 Uiso 1 1 calc R U . . .
H22B H 0.592978 0.364195 0.843150 0.063 Uiso 1 1 calc R U . . .
H22C H 0.653882 0.379140 0.934004 0.063 Uiso 1 1 calc R U . . .
C23 C 0.81492(18) 0.41756(10) 0.89216(13) 0.0350(6) Uani 1 1 d . . . . .
H23A H 0.809115 0.428367 0.949118 0.053 Uiso 1 1 calc R U . . .
H23B H 0.851696 0.446419 0.868459 0.053 Uiso 1 1 calc R U . . .
H23C H 0.848915 0.381436 0.893664 0.053 Uiso 1 1 calc R U . . .
C24 C 0.6624(2) 0.46849(11) 0.83321(16) 0.0537(8) Uani 1 1 d . . . . .
H24A H 0.596790 0.464349 0.799869 0.081 Uiso 1 1 calc R U . . .
H24B H 0.698579 0.496204 0.806687 0.081 Uiso 1 1 calc R U . . .
H24C H 0.658239 0.481242 0.889690 0.081 Uiso 1 1 calc R U . . .
C25 C 0.37978(16) 0.34673(9) 0.61529(13) 0.0248(5) Uani 1 1 d . . . . .
C26 C 0.28394(16) 0.34497(10) 0.55183(14) 0.0336(6) Uani 1 1 d . . . . .
H26A H 0.243734 0.377284 0.560853 0.050 Uiso 1 1 calc R U . . .
H26B H 0.249293 0.310051 0.559055 0.050 Uiso 1 1 calc R U . . .
H26C H 0.297483 0.346466 0.494960 0.050 Uiso 1 1 calc R U . . .
C27 C 0.35877(17) 0.34473(10) 0.70378(14) 0.0326(6) Uani 1 1 d . . . . .
H27A H 0.420157 0.345228 0.744343 0.049 Uiso 1 1 calc R U . . .
H27B H 0.323032 0.310189 0.710938 0.049 Uiso 1 1 calc R U . . .
H27C H 0.319607 0.377473 0.712945 0.049 Uiso 1 1 calc R U . . .
C28 C 0.43642(17) 0.40026(9) 0.60369(15) 0.0349(6) Uani 1 1 d . . . . .
H28A H 0.449272 0.401415 0.546588 0.052 Uiso 1 1 calc R U . . .
H28B H 0.498170 0.400373 0.643805 0.052 Uiso 1 1 calc R U . . .
H28C H 0.398108 0.433283 0.613262 0.052 Uiso 1 1 calc R U . . .
C29 C 0.36904(16) 0.16411(9) 0.52348(13) 0.0251(5) Uani 1 1 d . . . . .
C30 C 0.28360(18) 0.18607(11) 0.45902(14) 0.0383(6) Uani 1 1 d . . . . .
H30A H 0.295786 0.225255 0.445332 0.058 Uiso 1 1 calc R U . . .
H30B H 0.224035 0.183983 0.482124 0.058 Uiso 1 1 calc R U . . .
H30C H 0.276132 0.163083 0.408202 0.058 Uiso 1 1 calc R U . . .
C31 C 0.34772(18) 0.10473(9) 0.55192(15) 0.0353(6) Uani 1 1 d . . . . .
H31A H 0.339749 0.079023 0.504018 0.053 Uiso 1 1 calc R U . . .
H31B H 0.287887 0.105246 0.574778 0.053 Uiso 1 1 calc R U . . .
H31C H 0.401871 0.091954 0.595148 0.053 Uiso 1 1 calc R U . . .
C32 C 0.46093(17) 0.16292(10) 0.48600(13) 0.0295(5) Uani 1 1 d . . . . .
H32A H 0.515365 0.148840 0.527842 0.044 Uiso 1 1 calc R U . . .
H32B H 0.475623 0.201046 0.469105 0.044 Uiso 1 1 calc R U . . .
H32C H 0.450789 0.138129 0.436995 0.044 Uiso 1 1 calc R U . . .
C33 C 0.48570(16) 0.17019(9) 0.80472(12) 0.0236(5) Uani 1 1 d . . . . .
C34 C 0.41094(18) 0.21058(11) 0.82756(14) 0.0387(6) Uani 1 1 d . . . . .
H34A H 0.401493 0.202627 0.884557 0.058 Uiso 1 1 calc R U . . .
H34B H 0.349163 0.205852 0.788295 0.058 Uiso 1 1 calc R U . . .
H34C H 0.433921 0.249334 0.824552 0.058 Uiso 1 1 calc R U . . .
C35 C 0.4470(2) 0.11014(10) 0.80278(16) 0.0525(8) Uani 1 1 d . . . . .
H35A H 0.386254 0.107516 0.761681 0.079 Uiso 1 1 calc R U . . .
H35B H 0.434958 0.100034 0.858284 0.079 Uiso 1 1 calc R U . . .
H35C H 0.495033 0.084290 0.787118 0.079 Uiso 1 1 calc R U . . .
C36 C 0.57960(18) 0.17521(11) 0.86902(13) 0.0368(6) Uani 1 1 d . . . . .
H36A H 0.604613 0.213700 0.868744 0.055 Uiso 1 1 calc R U . . .
H36B H 0.627774 0.148821 0.854951 0.055 Uiso 1 1 calc R U . . .
H36C H 0.566865 0.166337 0.924750 0.055 Uiso 1 1 calc R U . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sb1 0.01338(6) 0.01395(6) 0.01905(6) 0.00023(6) 0.00190(5) -0.00015(6)
P1 0.0168(3) 0.0131(3) 0.0205(3) 0.0001(2) 0.0015(2) 0.0009(2)
P2 0.0255(3) 0.0151(3) 0.0215(3) -0.0013(2) 0.0011(2) 0.0035(2)
P3 0.0219(3) 0.0205(3) 0.0234(3) 0.0018(2) 0.0041(2) 0.0071(2)
P4 0.0153(3) 0.0189(3) 0.0185(3) 0.0014(2) 0.0012(2) 0.0012(2)
P5 0.0149(3) 0.0143(3) 0.0218(3) 0.0000(2) 0.0018(2) -0.0014(2)
P6 0.0154(3) 0.0170(3) 0.0253(3) -0.0006(2) 0.0054(2) -0.0021(2)
P7 0.0222(3) 0.0140(3) 0.0224(3) 0.0000(2) 0.0042(2) -0.0019(2)
P8 0.0174(3) 0.0158(3) 0.0193(3) -0.0016(2) 0.0038(2) 0.0009(2)
P9 0.0132(3) 0.0160(2) 0.0203(3) 0.0003(2) 0.0018(2) -0.0004(2)
P10 0.0138(3) 0.0224(3) 0.0222(3) 0.0031(2) 0.0017(2) 0.0012(2)
P11 0.0142(3) 0.0243(3) 0.0207(3) -0.0023(2) 0.0029(2) -0.0033(2)
P12 0.0171(3) 0.0166(3) 0.0178(3) 0.0001(2) 0.0033(2) -0.0033(2)
C1 0.0295(13) 0.0134(10) 0.0320(12) -0.0016(9) -0.0016(10) 0.0020(9)
C2 0.0346(16) 0.0219(12) 0.0503(16) -0.0043(11) -0.0010(12) -0.0026(11)
C3 0.0413(16) 0.0159(11) 0.0406(14) 0.0037(10) 0.0083(12) -0.0025(10)
C4 0.0431(16) 0.0171(11) 0.0405(15) -0.0052(10) 0.0000(12) 0.0054(11)
C5 0.0272(14) 0.0365(14) 0.0321(13) 0.0005(11) 0.0120(11) 0.0094(11)
C6 0.0415(16) 0.0406(15) 0.0299(13) 0.0051(11) 0.0177(12) 0.0011(12)
C7 0.060(2) 0.0455(17) 0.0489(16) -0.0035(13) 0.0275(15) 0.0205(15)
C8 0.0257(15) 0.075(2) 0.0507(17) 0.0055(15) 0.0146(13) 0.0087(14)
C9 0.0229(12) 0.0268(12) 0.0189(11) 0.0018(9) -0.0026(9) -0.0001(10)
C10 0.0444(16) 0.0301(13) 0.0196(12) 0.0035(9) 0.0064(11) 0.0013(11)
C11 0.0310(16) 0.071(2) 0.0317(14) 0.0091(13) -0.0105(12) -0.0048(14)
C12 0.0595(19) 0.0327(14) 0.0193(12) -0.0023(10) -0.0004(12) 0.0040(13)
C13 0.0150(11) 0.0209(11) 0.0405(14) 0.0019(10) 0.0046(10) -0.0031(9)
C14 0.0163(12) 0.0280(13) 0.0723(19) 0.0055(13) 0.0105(12) 0.0004(10)
C15 0.0194(13) 0.0296(13) 0.0492(15) 0.0014(11) 0.0063(11) -0.0085(10)
C16 0.0192(13) 0.0367(14) 0.0407(14) 0.0053(11) -0.0072(10) -0.0065(10)
C17 0.0333(14) 0.0208(11) 0.0244(12) 0.0048(9) 0.0053(10) 0.0075(10)
C18 0.0343(15) 0.0405(14) 0.0197(12) 0.0029(10) 0.0015(10) 0.0063(12)
C19 0.0504(18) 0.0296(13) 0.0329(14) 0.0100(11) 0.0164(12) 0.0015(12)
C20 0.0478(18) 0.0314(14) 0.0376(14) 0.0084(11) 0.0079(12) 0.0175(12)
C21 0.0319(14) 0.0229(11) 0.0205(11) -0.0059(9) 0.0087(10) -0.0012(10)
C22 0.0459(17) 0.0578(17) 0.0280(13) -0.0126(12) 0.0198(12) -0.0222(14)
C23 0.0438(16) 0.0413(15) 0.0204(12) -0.0046(10) 0.0068(11) -0.0171(12)
C24 0.078(2) 0.0454(17) 0.0389(16) -0.0139(13) 0.0150(15) 0.0252(16)
C25 0.0165(11) 0.0218(11) 0.0338(13) 0.0043(9) -0.0005(9) 0.0049(9)
C26 0.0185(13) 0.0353(14) 0.0437(15) 0.0030(11) -0.0026(11) 0.0085(10)
C27 0.0244(13) 0.0341(14) 0.0395(14) -0.0051(11) 0.0063(11) 0.0115(11)
C28 0.0261(14) 0.0248(13) 0.0508(16) 0.0037(11) -0.0006(12) 0.0036(10)
C29 0.0229(12) 0.0313(13) 0.0201(11) -0.0068(9) 0.0009(9) -0.0071(10)
C30 0.0288(14) 0.0548(17) 0.0278(13) -0.0096(12) -0.0040(11) -0.0048(12)
C31 0.0338(15) 0.0331(14) 0.0393(14) -0.0133(11) 0.0078(12) -0.0117(11)
C32 0.0302(14) 0.0369(14) 0.0220(12) -0.0076(10) 0.0059(10) -0.0015(11)
C33 0.0265(13) 0.0258(12) 0.0197(11) 0.0034(9) 0.0075(9) -0.0043(10)
C34 0.0341(15) 0.0639(18) 0.0201(12) 0.0006(12) 0.0100(11) 0.0068(13)
C35 0.080(2) 0.0434(16) 0.0409(16) 0.0059(13) 0.0277(15) -0.0274(16)
C36 0.0349(15) 0.0537(16) 0.0217(12) 0.0095(11) 0.0054(11) 0.0017(13)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
P5 Sb1 P1 91.134(17) . . ?
P5 Sb1 P9 91.106(17) . . ?
P1 Sb1 P9 90.876(17) . . ?
P4 P1 P2 87.66(3) . . ?
P4 P1 Sb1 98.10(2) . . ?
P2 P1 Sb1 100.11(2) . . ?
C1 P2 P3 103.20(7) . . ?
C1 P2 P1 104.75(7) . . ?
P3 P2 P1 87.31(3) . . ?
C5 P3 P4 102.50(8) . . ?
C5 P3 P2 104.38(8) . . ?
P4 P3 P2 87.78(3) . . ?
C9 P4 P1 103.38(7) . . ?
C9 P4 P3 103.55(7) . . ?
P1 P4 P3 87.50(3) . . ?
P8 P5 P6 87.61(3) . . ?
P8 P5 Sb1 97.45(2) . . ?
P6 P5 Sb1 99.38(2) . . ?
C13 P6 P7 103.44(7) . . ?
C13 P6 P5 104.99(7) . . ?
P7 P6 P5 87.63(3) . . ?
C17 P7 P6 103.23(7) . . ?
C17 P7 P8 103.03(8) . . ?
P6 P7 P8 87.93(3) . . ?
C21 P8 P7 103.61(7) . . ?
C21 P8 P5 103.48(7) . . ?
P7 P8 P5 87.64(3) . . ?
P12 P9 P10 87.81(3) . . ?
P12 P9 Sb1 96.15(2) . . ?
P10 P9 Sb1 99.45(2) . . ?
C25 P10 P11 103.86(7) . . ?
C25 P10 P9 104.41(7) . . ?
P11 P10 P9 88.10(3) . . ?
C29 P11 P10 103.51(7) . . ?
C29 P11 P12 101.92(7) . . ?
P10 P11 P12 87.99(3) . . ?
C33 P12 P11 104.88(7) . . ?
C33 P12 P9 104.11(7) . . ?
P11 P12 P9 88.25(3) . . ?
C2 C1 C3 109.8(2) . . ?
C2 C1 C4 109.90(18) . . ?
C3 C1 C4 109.59(18) . . ?
C2 C1 P2 106.59(15) . . ?
C3 C1 P2 115.13(15) . . ?
C4 C1 P2 105.68(16) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C8 109.8(2) . . ?
C6 C5 C7 110.06(19) . . ?
C8 C5 C7 110.4(2) . . ?
C6 C5 P3 115.00(16) . . ?
C8 C5 P3 105.44(15) . . ?
C7 C5 P3 105.91(17) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C12 109.00(19) . . ?
C10 C9 C11 109.57(19) . . ?
C12 C9 C11 110.1(2) . . ?
C10 C9 P4 114.61(15) . . ?
C12 C9 P4 107.73(14) . . ?
C11 C9 P4 105.79(15) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C16 C13 C14 109.95(19) . . ?
C16 C13 C15 110.10(18) . . ?
C14 C13 C15 109.71(19) . . ?
C16 C13 P6 114.89(15) . . ?
C14 C13 P6 106.15(15) . . ?
C15 C13 P6 105.85(15) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C19 110.71(18) . . ?
C18 C17 C20 109.2(2) . . ?
C19 C17 C20 109.75(18) . . ?
C18 C17 P7 114.85(15) . . ?
C19 C17 P7 106.51(16) . . ?
C20 C17 P7 105.59(14) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C22 108.60(19) . . ?
C23 C21 C24 109.9(2) . . ?
C22 C21 C24 110.6(2) . . ?
C23 C21 P8 114.59(15) . . ?
C22 C21 P8 107.33(14) . . ?
C24 C21 P8 105.71(15) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C28 109.90(19) . . ?
C27 C25 C26 109.51(19) . . ?
C28 C25 C26 110.40(18) . . ?
C27 C25 P10 115.13(14) . . ?
C28 C25 P10 106.12(15) . . ?
C26 C25 P10 105.64(15) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C32 110.06(18) . . ?
C30 C29 C31 110.49(19) . . ?
C32 C29 C31 109.36(19) . . ?
C30 C29 P11 106.26(15) . . ?
C32 C29 P11 114.70(15) . . ?
C31 C29 P11 105.86(14) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C36 109.20(19) . . ?
C34 C33 C35 109.7(2) . . ?
C36 C33 C35 110.2(2) . . ?
C34 C33 P12 114.32(15) . . ?
C36 C33 P12 107.95(15) . . ?
C35 C33 P12 105.36(15) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
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 P5 2.5371(5) . ?
Sb1 P1 2.5397(5) . ?
Sb1 P9 2.5408(5) . ?
P1 P4 2.2177(8) . ?
P1 P2 2.2242(7) . ?
P2 C1 1.888(2) . ?
P2 P3 2.2190(8) . ?
P3 C5 1.887(2) . ?
P3 P4 2.2178(7) . ?
P4 C9 1.889(2) . ?
P5 P8 2.2206(7) . ?
P5 P6 2.2244(7) . ?
P6 C13 1.884(2) . ?
P6 P7 2.2143(7) . ?
P7 C17 1.886(2) . ?
P7 P8 2.2175(8) . ?
P8 C21 1.893(2) . ?
P9 P12 2.2185(7) . ?
P9 P10 2.2249(8) . ?
P10 C25 1.888(2) . ?
P10 P11 2.2176(8) . ?
P11 C29 1.890(2) . ?
P11 P12 2.2183(8) . ?
P12 C33 1.889(2) . ?
C1 C2 1.528(3) . ?
C1 C3 1.528(3) . ?
C1 C4 1.530(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.521(3) . ?
C5 C8 1.535(3) . ?
C5 C7 1.541(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.519(3) . ?
C9 C12 1.524(3) . ?
C9 C11 1.527(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C16 1.524(3) . ?
C13 C14 1.530(3) . ?
C13 C15 1.531(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.526(3) . ?
C17 C19 1.526(3) . ?
C17 C20 1.534(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.513(3) . ?
C21 C22 1.518(3) . ?
C21 C24 1.521(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.524(3) . ?
C25 C28 1.530(3) . ?
C25 C26 1.531(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.526(3) . ?
C29 C32 1.527(3) . ?
C29 C31 1.532(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.519(3) . ?
C33 C36 1.522(3) . ?
C33 C35 1.525(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
