#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:14:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179318 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/15/4321597.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_4321597
loop_
_publ_author_name
'Daniel Neuman'
'Patrina Paraskevopoulou'
'Nikos Psaroudakis'
'Konstantinos Mertis'
'Richard J. Staples'
'Pericles Stavropoulos'
_publ_section_title
;
 Structural and Functional Characteristics of Rhenium Clusters Derived
 from Redox Chemistry of the Triangular [ReIII3(μ-Cl)3] Core Unit
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5530
_journal_page_last               5537
_journal_paper_doi               10.1021/ic000449t
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety
;
[(C~6~H~5~)~4~P]~4~[{Re~3~(\m-Cl)~3~C~l7~(\m-Cl)}~2~].10CH~2~Cl~2~
;
_chemical_formula_sum            'C106 H100 Cl42 P4 Re6'
_chemical_formula_weight         4103.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.282(2)
_cell_angle_beta                 108.082(2)
_cell_angle_gamma                108.964(2)
_cell_formula_units_Z            1
_cell_length_a                   14.481(1)
_cell_length_b                   15.623(1)
_cell_length_c                   18.033(1)
_cell_measurement_temperature    213(2)
_cell_volume                     3486.2(4)
_computing_cell_refinement       'SMART (BRUKER, V5.054, 1998)'
_computing_data_collection       'ASTRO (BRUKER, V5.007, 1997)'
_computing_data_reduction        'SAINT (BRUKER, V6.01, 1999)'
_computing_molecular_graphics    'SHELXTL (BRUKER, 1998, V5.1)'
_computing_publication_material  'XCIF (Sheldrick and BRUKER, 1997, V5.1)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_method       'ω, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            20111
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.081
_exptl_absorpt_correction_T_max  0.50165
_exptl_absorpt_correction_T_min  0.91444
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.955
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.117
_refine_diff_density_min         -1.751
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         12162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0611P)²+12.2790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1096
_reflns_number_gt                10022
_reflns_number_total             12162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000449t_5.cif
_cod_data_source_block           Compound_6
_cod_database_code               4321597
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.03798(2) 0.53679(2) 0.118472(17) 0.02763(9) Uani 1 1 d . . .
Re2 Re -0.05123(2) 0.58536(2) 0.201996(17) 0.02591(9) Uani 1 1 d . . .
Re3 Re 0.13196(2) 0.69168(2) 0.225188(17) 0.02704(9) Uani 1 1 d . . .
Cl1 Cl -0.02925(17) 0.58837(15) 0.00537(12) 0.0433(5) Uani 1 1 d . . .
Cl2 Cl 0.21616(15) 0.63751(14) 0.14232(13) 0.0412(4) Uani 1 1 d . . .
Cl3 Cl -0.14035(14) 0.43571(13) 0.09394(12) 0.0381(4) Uani 1 1 d . . .
Cl4 Cl 0.10297(16) 0.44406(14) 0.18540(13) 0.0404(4) Uani 1 1 d . . .
Cl5 Cl 0.04190(16) 0.73781(14) 0.30644(12) 0.0407(4) Uani 1 1 d . . .
Cl6 Cl -0.14340(16) 0.65215(15) 0.11866(12) 0.0422(5) Uani 1 1 d . . .
Cl7 Cl -0.00769(16) 0.51144(14) 0.29979(12) 0.0387(4) Uani 1 1 d . . .
Cl8 Cl -0.21231(17) 0.54892(16) 0.23692(15) 0.0513(5) Uani 1 1 d . . .
Cl9 Cl 0.09002(16) 0.78475(14) 0.14515(13) 0.0440(5) Uani 1 1 d . . .
Cl10 Cl 0.22377(15) 0.64958(14) 0.33133(12) 0.0404(4) Uani 1 1 d . . .
Cl11 Cl 0.29475(17) 0.84591(15) 0.29877(14) 0.0542(6) Uani 1 1 d . . .
P1 P 0.47118(15) 0.49744(15) 0.32760(12) 0.0326(4) Uani 1 1 d . . .
C1 C 0.3481(6) 0.4344(5) 0.3359(5) 0.0330(16) Uani 1 1 d . . .
C2 C 0.2925(7) 0.3374(7) 0.2941(6) 0.052(2) Uani 1 1 d . . .
H2A H 0.3185 0.3051 0.2622 0.063 Uiso 1 1 calc R . .
C3 C 0.1972(7) 0.2895(7) 0.3007(6) 0.050(2) Uani 1 1 d . . .
H3A H 0.1584 0.2239 0.2729 0.060 Uiso 1 1 calc R . .
C4 C 0.1593(7) 0.3368(7) 0.3475(6) 0.051(2) Uani 1 1 d . . .
H4A H 0.0948 0.3035 0.3511 0.062 Uiso 1 1 calc R . .
C5 C 0.2149(6) 0.4321(7) 0.3888(5) 0.043(2) Uani 1 1 d . . .
H5A H 0.1884 0.4637 0.4209 0.051 Uiso 1 1 calc R . .
C6 C 0.3101(6) 0.4826(6) 0.3837(5) 0.0358(17) Uani 1 1 d . . .
H6A H 0.3483 0.5481 0.4119 0.043 Uiso 1 1 calc R . .
C7 C 0.4451(6) 0.4959(6) 0.2224(4) 0.0359(17) Uani 1 1 d . . .
C8 C 0.3439(7) 0.4492(9) 0.1636(6) 0.065(3) Uani 1 1 d . . .
H8A H 0.2884 0.4142 0.1769 0.078 Uiso 1 1 calc R . .
C9 C 0.3231(9) 0.4537(10) 0.0840(6) 0.082(4) Uani 1 1 d . . .
H9A H 0.2535 0.4212 0.0437 0.099 Uiso 1 1 calc R . .
C10 C 0.4013(9) 0.5039(8) 0.0643(6) 0.067(3) Uani 1 1 d . . .
H10A H 0.3869 0.5063 0.0104 0.081 Uiso 1 1 calc R . .
C11 C 0.5011(9) 0.5512(9) 0.1229(7) 0.078(3) Uani 1 1 d . . .
H11A H 0.5559 0.5867 0.1091 0.094 Uiso 1 1 calc R . .
C12 C 0.5244(8) 0.5483(8) 0.2026(6) 0.061(3) Uani 1 1 d . . .
H12A H 0.5940 0.5822 0.2427 0.073 Uiso 1 1 calc R . .
C13 C 0.5297(6) 0.6201(6) 0.3872(5) 0.0367(18) Uani 1 1 d . . .
C14 C 0.4817(7) 0.6799(6) 0.3593(5) 0.044(2) Uani 1 1 d . . .
H14A H 0.4206 0.6550 0.3104 0.053 Uiso 1 1 calc R . .
C15 C 0.5245(8) 0.7754(7) 0.4040(6) 0.053(2) Uani 1 1 d . . .
H15A H 0.4917 0.8151 0.3857 0.063 Uiso 1 1 calc R . .
C16 C 0.6131(8) 0.8117(7) 0.4739(7) 0.060(3) Uani 1 1 d . . .
H16A H 0.6423 0.8769 0.5030 0.072 Uiso 1 1 calc R . .
C17 C 0.6625(8) 0.7539(7) 0.5039(6) 0.058(2) Uani 1 1 d . . .
H17A H 0.7232 0.7796 0.5533 0.070 Uiso 1 1 calc R . .
C18 C 0.6204(7) 0.6588(6) 0.4597(5) 0.045(2) Uani 1 1 d . . .
H18A H 0.6535 0.6197 0.4787 0.054 Uiso 1 1 calc R . .
C19 C 0.5604(6) 0.4413(5) 0.3629(4) 0.0329(16) Uani 1 1 d . . .
C20 C 0.5351(7) 0.3741(6) 0.4023(5) 0.045(2) Uani 1 1 d . . .
H20A H 0.4717 0.3575 0.4110 0.054 Uiso 1 1 calc R . .
C21 C 0.6046(8) 0.3315(7) 0.4290(6) 0.057(2) Uani 1 1 d . . .
H21A H 0.5874 0.2853 0.4552 0.068 Uiso 1 1 calc R . .
C22 C 0.6981(7) 0.3561(7) 0.4173(6) 0.055(2) Uani 1 1 d . . .
H22A H 0.7451 0.3276 0.4361 0.066 Uiso 1 1 calc R . .
C23 C 0.7221(7) 0.4222(7) 0.3784(7) 0.060(3) Uani 1 1 d . . .
H23A H 0.7855 0.4386 0.3697 0.072 Uiso 1 1 calc R . .
C24 C 0.6540(7) 0.4653(7) 0.3514(6) 0.053(2) Uani 1 1 d . . .
H24A H 0.6718 0.5112 0.3251 0.063 Uiso 1 1 calc R . .
P2 P 0.63938(16) 0.00947(14) 0.23849(12) 0.0337(4) Uani 1 1 d . . .
C25 C 0.5105(6) -0.0345(6) 0.1555(5) 0.0372(18) Uani 1 1 d . . .
C26 C 0.4333(7) -0.1206(6) 0.1460(5) 0.052(2) Uani 1 1 d . . .
H26A H 0.4490 -0.1569 0.1806 0.062 Uiso 1 1 calc R . .
C27 C 0.3329(8) -0.1527(7) 0.0854(6) 0.063(3) Uani 1 1 d . . .
H27A H 0.2797 -0.2107 0.0792 0.076 Uiso 1 1 calc R . .
C28 C 0.3104(8) -0.1002(8) 0.0337(6) 0.067(3) Uani 1 1 d . . .
H28A H 0.2423 -0.1233 -0.0083 0.081 Uiso 1 1 calc R . .
C29 C 0.3865(8) -0.0146(8) 0.0432(6) 0.068(3) Uani 1 1 d . . .
H29A H 0.3705 0.0215 0.0085 0.082 Uiso 1 1 calc R . .
C30 C 0.4878(7) 0.0186(6) 0.1046(5) 0.047(2) Uani 1 1 d . . .
H30A H 0.5406 0.0771 0.1114 0.057 Uiso 1 1 calc R . .
C31 C 0.6801(7) -0.0865(6) 0.2420(6) 0.044(2) Uani 1 1 d . . .
C32 C 0.6766(8) -0.1418(7) 0.1710(6) 0.056(2) Uani 1 1 d . . .
H32A H 0.6474 -0.1324 0.1203 0.068 Uiso 1 1 calc R . .
C33 C 0.7164(9) -0.2105(8) 0.1755(8) 0.072(3) Uani 1 1 d . . .
H33A H 0.7155 -0.2475 0.1279 0.086 Uiso 1 1 calc R . .
C34 C 0.7571(10) -0.2250(9) 0.2491(10) 0.087(4) Uani 1 1 d . . .
H34A H 0.7858 -0.2709 0.2517 0.105 Uiso 1 1 calc R . .
C35 C 0.7569(10) -0.1744(8) 0.3187(8) 0.076(3) Uani 1 1 d . . .
H35A H 0.7799 -0.1888 0.3679 0.092 Uiso 1 1 calc R . .
C36 C 0.7221(9) -0.1007(8) 0.3165(7) 0.067(3) Uani 1 1 d . . .
H36A H 0.7272 -0.0615 0.3649 0.080 Uiso 1 1 calc R . .
C37 C 0.6341(6) 0.0556(5) 0.3355(5) 0.0360(17) Uani 1 1 d . . .
C38 C 0.5398(7) 0.0253(6) 0.3458(5) 0.045(2) Uani 1 1 d . . .
H38A H 0.4761 -0.0160 0.3010 0.054 Uiso 1 1 calc R . .
C39 C 0.5391(9) 0.0560(7) 0.4225(6) 0.059(3) Uani 1 1 d . . .
H39A H 0.4751 0.0346 0.4302 0.071 Uiso 1 1 calc R . .
C40 C 0.6320(8) 0.1179(7) 0.4874(6) 0.057(2) Uani 1 1 d . . .
H40A H 0.6309 0.1397 0.5391 0.069 Uiso 1 1 calc R . .
C41 C 0.7256(8) 0.1479(7) 0.4777(5) 0.061(3) Uani 1 1 d . . .
H41A H 0.7888 0.1892 0.5229 0.073 Uiso 1 1 calc R . .
C42 C 0.7286(7) 0.1176(7) 0.4007(5) 0.050(2) Uani 1 1 d . . .
H42A H 0.7929 0.1387 0.3936 0.060 Uiso 1 1 calc R . .
C43 C 0.7334(6) 0.1035(5) 0.2223(5) 0.0360(17) Uani 1 1 d . . .
C44 C 0.7297(7) 0.1926(6) 0.2353(6) 0.049(2) Uani 1 1 d . . .
H44A H 0.6782 0.2027 0.2526 0.059 Uiso 1 1 calc R . .
C45 C 0.8007(8) 0.2661(7) 0.2229(6) 0.059(3) Uani 1 1 d . . .
H45A H 0.7972 0.3259 0.2311 0.071 Uiso 1 1 calc R . .
C46 C 0.8769(8) 0.2514(8) 0.1984(6) 0.062(3) Uani 1 1 d . . .
H46A H 0.9265 0.3020 0.1911 0.074 Uiso 1 1 calc R . .
C47 C 0.8813(7) 0.1643(8) 0.1845(6) 0.059(3) Uani 1 1 d . . .
H47A H 0.9324 0.1550 0.1662 0.070 Uiso 1 1 calc R . .
C48 C 0.8105(7) 0.0889(7) 0.1974(6) 0.051(2) Uani 1 1 d . . .
H48A H 0.8147 0.0294 0.1893 0.061 Uiso 1 1 calc R . .
C1S C 0.5382(16) 0.3257(12) 0.1143(12) 0.149(7) Uani 1 1 d . . .
H1SA H 0.6067 0.3763 0.1530 0.179 Uiso 1 1 calc R . .
H1SB H 0.4918 0.3562 0.0908 0.179 Uiso 1 1 calc R . .
Cl1A Cl 0.5584(5) 0.2628(4) 0.0362(3) 0.157(2) Uani 1 1 d . . .
Cl1B Cl 0.4829(4) 0.2587(3) 0.1674(3) 0.1433(18) Uani 1 1 d . . .
C2S C 0.2686(15) 0.0326(11) 0.2101(11) 0.128(6) Uani 1 1 d . . .
H2SA H 0.2550 -0.0264 0.2248 0.153 Uiso 1 1 calc R . .
H2SB H 0.3037 0.0304 0.1717 0.153 Uiso 1 1 calc R . .
Cl2A Cl 0.1564(11) 0.0403(5) 0.1661(8) 0.467(12) Uani 1 1 d . . .
Cl2B Cl 0.3446(5) 0.1212(3) 0.2905(5) 0.239(4) Uani 1 1 d . . .
C3S C 0.0977(16) 0.1502(19) -0.0165(13) 0.179(10) Uani 1 1 d . . .
H3SA H 0.0331 0.0928 -0.0508 0.214 Uiso 1 1 calc R . .
H3SB H 0.1000 0.1961 -0.0472 0.214 Uiso 1 1 calc R . .
Cl3A Cl 0.1929(9) 0.1222(11) -0.0142(7) 0.353(8) Uani 1 1 d . . .
Cl3B Cl 0.0771(8) 0.1933(7) 0.0619(4) 0.239(4) Uani 1 1 d . . .
C4S C 0.0330(12) 0.3435(10) 0.5360(7) 0.096(4) Uani 1 1 d . . .
H4SA H 0.0989 0.3983 0.5731 0.115 Uiso 1 1 calc R . .
H4SB H -0.0158 0.3321 0.5641 0.115 Uiso 1 1 calc R . .
Cl4A Cl -0.0232(3) 0.3700(3) 0.4489(2) 0.1119(14) Uani 1 1 d . . .
Cl4B Cl 0.0599(6) 0.2480(5) 0.5156(3) 0.179(3) Uani 1 1 d . . .
C5S C 0.0520(19) 0.9695(14) 0.3505(16) 0.232(15) Uani 1 1 d . . .
H5SA H -0.0116 0.9096 0.3271 0.279 Uiso 1 1 calc R . .
H5SB H 0.0974 0.9635 0.3211 0.279 Uiso 1 1 calc R . .
Cl5A Cl 0.0144(6) 1.0556(5) 0.3310(6) 0.246(4) Uani 1 1 d . . .
Cl5B Cl 0.1127(6) 0.9803(5) 0.4421(5) 0.222(4) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
Cl4 Re1 Cl1 156.78(7) . . ?
Cl4 Re1 Cl3 90.91(7) . . ?
Cl1 Re1 Cl3 89.58(7) . . ?
Cl4 Re1 Cl2 89.15(7) . . ?
Cl1 Re1 Cl2 90.25(7) . . ?
Cl3 Re1 Cl2 179.72(7) . . ?
Cl4 Re1 Re2 101.02(5) . . ?
Cl1 Re1 Re2 99.22(5) . . ?
Cl3 Re1 Re2 59.60(5) . . ?
Cl2 Re1 Re2 120.65(5) . . ?
Cl4 Re1 Re3 101.30(5) . . ?
Cl1 Re1 Re3 98.36(5) . . ?
Cl3 Re1 Re3 120.71(5) . . ?
Cl2 Re1 Re3 59.54(5) . . ?
Re2 Re1 Re3 61.124(12) . . ?
Cl4 Re1 Cl1 79.49(7) . 2_565 ?
Cl1 Re1 Cl1 77.31(7) . 2_565 ?
Cl3 Re1 Cl1 89.04(7) . 2_565 ?
Cl2 Re1 Cl1 90.70(7) . 2_565 ?
Re2 Re1 Cl1 148.60(5) . 2_565 ?
Re3 Re1 Cl1 150.09(5) . 2_565 ?
Cl6 Re2 Cl7 159.93(7) . . ?
Cl6 Re2 Cl5 88.68(7) . . ?
Cl7 Re2 Cl5 90.30(7) . . ?
Cl6 Re2 Cl3 90.40(7) . . ?
Cl7 Re2 Cl3 91.37(7) . . ?
Cl5 Re2 Cl3 177.47(7) . . ?
Cl6 Re2 Re1 99.84(5) . . ?
Cl7 Re2 Re1 98.24(5) . . ?
Cl5 Re2 Re1 118.52(5) . . ?
Cl3 Re2 Re1 59.34(4) . . ?
Cl6 Re2 Re3 98.38(5) . . ?
Cl7 Re2 Re3 98.24(5) . . ?
Cl5 Re2 Re3 58.95(5) . . ?
Cl3 Re2 Re3 118.89(4) . . ?
Re1 Re2 Re3 59.568(12) . . ?
Cl6 Re2 Cl8 79.91(7) . . ?
Cl7 Re2 Cl8 80.10(7) . . ?
Cl5 Re2 Cl8 92.25(7) . . ?
Cl3 Re2 Cl8 89.91(7) . . ?
Re1 Re2 Cl8 149.23(6) . . ?
Re3 Re2 Cl8 151.20(6) . . ?
Cl10 Re3 Cl9 159.74(7) . . ?
Cl10 Re3 Cl2 90.52(7) . . ?
Cl9 Re3 Cl2 91.27(7) . . ?
Cl10 Re3 Cl5 88.94(7) . . ?
Cl9 Re3 Cl5 90.19(7) . . ?
Cl2 Re3 Cl5 177.18(7) . . ?
Cl10 Re3 Re1 99.64(5) . . ?
Cl9 Re3 Re1 98.60(5) . . ?
Cl2 Re3 Re1 59.23(5) . . ?
Cl5 Re3 Re1 118.14(5) . . ?
Cl10 Re3 Re2 98.22(5) . . ?
Cl9 Re3 Re2 98.62(5) . . ?
Cl2 Re3 Re2 118.53(5) . . ?
Cl5 Re3 Re2 58.84(5) . . ?
Re1 Re3 Re2 59.308(11) . . ?
Cl10 Re3 Cl11 80.71(7) . . ?
Cl9 Re3 Cl11 79.11(7) . . ?
Cl2 Re3 Cl11 90.19(8) . . ?
Cl5 Re3 Cl11 92.46(8) . . ?
Re1 Re3 Cl11 149.38(6) . . ?
Re2 Re3 Cl11 151.28(6) . . ?
Re1 Cl1 Re1 102.69(7) . 2_565 ?
Re1 Cl2 Re3 61.23(4) . . ?
Re1 Cl3 Re2 61.06(4) . . ?
Re2 Cl5 Re3 62.21(5) . . ?
C13 P1 C1 111.2(3) . . ?
C13 P1 C19 110.1(4) . . ?
C1 P1 C19 108.1(3) . . ?
C13 P1 C7 105.9(4) . . ?
C1 P1 C7 109.5(4) . . ?
C19 P1 C7 112.1(3) . . ?
C2 C1 C6 121.1(7) . . ?
C2 C1 P1 118.8(6) . . ?
C6 C1 P1 120.2(6) . . ?
C1 C2 C3 118.3(8) . . ?
C4 C3 C2 120.8(9) . . ?
C5 C4 C3 120.5(8) . . ?
C4 C5 C6 120.5(8) . . ?
C5 C6 C1 118.8(8) . . ?
C12 C7 C8 119.4(8) . . ?
C12 C7 P1 120.2(6) . . ?
C8 C7 P1 120.1(6) . . ?
C7 C8 C9 119.8(9) . . ?
C10 C9 C8 120.7(10) . . ?
C9 C10 C11 119.3(9) . . ?
C10 C11 C12 121.4(10) . . ?
C7 C12 C11 119.3(9) . . ?
C18 C13 C14 118.8(8) . . ?
C18 C13 P1 122.9(6) . . ?
C14 C13 P1 118.3(6) . . ?
C15 C14 C13 120.1(8) . . ?
C16 C15 C14 120.1(9) . . ?
C15 C16 C17 121.3(9) . . ?
C18 C17 C16 118.9(9) . . ?
C17 C18 C13 120.8(8) . . ?
C24 C19 C20 119.5(7) . . ?
C24 C19 P1 120.4(6) . . ?
C20 C19 P1 120.1(6) . . ?
C19 C20 C21 119.3(8) . . ?
C22 C21 C20 120.7(9) . . ?
C23 C22 C21 119.5(8) . . ?
C22 C23 C24 120.7(8) . . ?
C19 C24 C23 120.3(8) . . ?
C31 P2 C43 110.3(4) . . ?
C31 P2 C37 109.1(4) . . ?
C43 P2 C37 108.1(4) . . ?
C31 P2 C25 108.5(4) . . ?
C43 P2 C25 109.9(4) . . ?
C37 P2 C25 111.0(4) . . ?
C30 C25 C26 120.4(8) . . ?
C30 C25 P2 120.8(6) . . ?
C26 C25 P2 118.8(6) . . ?
C27 C26 C25 119.3(9) . . ?
C26 C27 C28 120.3(9) . . ?
C29 C28 C27 120.5(9) . . ?
C28 C29 C30 119.5(9) . . ?
C25 C30 C29 120.0(8) . . ?
C36 C31 C32 120.5(9) . . ?
C36 C31 P2 119.6(7) . . ?
C32 C31 P2 119.7(7) . . ?
C33 C32 C31 119.3(10) . . ?
C34 C33 C32 120.1(11) . . ?
C35 C34 C33 121.5(11) . . ?
C34 C35 C36 119.4(11) . . ?
C31 C36 C35 119.1(11) . . ?
C38 C37 C42 120.9(7) . . ?
C38 C37 P2 120.7(6) . . ?
C42 C37 P2 118.3(6) . . ?
C37 C38 C39 119.7(8) . . ?
C40 C39 C38 119.9(9) . . ?
C41 C40 C39 120.7(9) . . ?
C40 C41 C42 120.5(9) . . ?
C37 C42 C41 118.3(8) . . ?
C44 C43 C48 119.7(7) . . ?
C44 C43 P2 119.4(6) . . ?
C48 C43 P2 120.9(6) . . ?
C45 C44 C43 120.6(9) . . ?
C44 C45 C46 119.5(9) . . ?
C47 C46 C45 120.8(9) . . ?
C46 C47 C48 120.6(9) . . ?
C43 C48 C47 118.8(9) . . ?
Cl1B C1S Cl1A 114.8(10) . . ?
Cl2B C2S Cl2A 110.8(10) . . ?
Cl3A C3S Cl3B 126.1(13) . . ?
Cl4B C4S Cl4A 112.5(7) . . ?
Cl5B C5S Cl5A 117.5(16) . . ?
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
Re1 Cl4 2.2904(19) . ?
Re1 Cl1 2.371(2) . ?
Re1 Cl3 2.3977(18) . ?
Re1 Cl2 2.3977(18) . ?
Re1 Re2 2.4394(4) . ?
Re1 Re3 2.4460(4) . ?
Re1 Cl1 2.6329(19) 2_565 ?
Re2 Cl6 2.3126(19) . ?
Re2 Cl7 2.3133(18) . ?
Re2 Cl5 2.4027(19) . ?
Re2 Cl3 2.4043(18) . ?
Re2 Re3 2.4841(4) . ?
Re2 Cl8 2.5176(19) . ?
Re3 Cl10 2.3026(18) . ?
Re3 Cl9 2.3119(19) . ?
Re3 Cl2 2.4054(19) . ?
Re3 Cl5 2.4057(19) . ?
Re3 Cl11 2.520(2) . ?
Cl1 Re1 2.6329(19) 2_565 ?
P1 C13 1.786(8) . ?
P1 C1 1.802(8) . ?
P1 C19 1.808(7) . ?
P1 C7 1.809(7) . ?
C1 C2 1.391(12) . ?
C1 C6 1.393(11) . ?
C2 C3 1.394(12) . ?
C3 C4 1.373(13) . ?
C4 C5 1.369(13) . ?
C5 C6 1.390(11) . ?
C7 C12 1.366(12) . ?
C7 C8 1.367(11) . ?
C8 C9 1.393(13) . ?
C9 C10 1.339(15) . ?
C10 C11 1.353(14) . ?
C11 C12 1.383(13) . ?
C13 C18 1.391(11) . ?
C13 C14 1.408(11) . ?
C14 C15 1.386(13) . ?
C15 C16 1.351(13) . ?
C16 C17 1.405(14) . ?
C17 C18 1.378(13) . ?
C19 C24 1.377(11) . ?
C19 C20 1.385(11) . ?
C20 C21 1.392(12) . ?
C21 C22 1.377(13) . ?
C22 C23 1.362(13) . ?
C23 C24 1.383(12) . ?
P2 C31 1.785(8) . ?
P2 C43 1.788(7) . ?
P2 C37 1.804(8) . ?
P2 C25 1.805(8) . ?
C25 C30 1.378(11) . ?
C25 C26 1.382(11) . ?
C26 C27 1.380(13) . ?
C27 C28 1.381(14) . ?
C28 C29 1.370(14) . ?
C29 C30 1.392(13) . ?
C31 C36 1.382(13) . ?
C31 C32 1.387(12) . ?
C32 C33 1.376(14) . ?
C33 C34 1.367(17) . ?
C34 C35 1.360(17) . ?
C35 C36 1.401(13) . ?
C37 C38 1.376(11) . ?
C37 C42 1.388(11) . ?
C38 C39 1.386(12) . ?
C39 C40 1.374(13) . ?
C40 C41 1.361(14) . ?
C41 C42 1.402(13) . ?
C43 C44 1.391(12) . ?
C43 C48 1.393(12) . ?
C44 C45 1.375(12) . ?
C45 C46 1.377(14) . ?
C46 C47 1.365(14) . ?
C47 C48 1.398(12) . ?
C1S Cl1B 1.72(2) . ?
C1S Cl1A 1.726(17) . ?
C2S Cl2B 1.591(17) . ?
C2S Cl2A 1.626(19) . ?
C3S Cl3A 1.57(2) . ?
C3S Cl3B 1.61(2) . ?
C4S Cl4B 1.668(14) . ?
C4S Cl4A 1.718(13) . ?
C5S Cl5B 1.56(2) . ?
C5S Cl5A 1.660(18) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl4 Re1 Re2 Cl6 -169.09(7) . . . . ?
Cl1 Re1 Re2 Cl6 -0.52(7) . . . . ?
Cl3 Re1 Re2 Cl6 -84.57(8) . . . . ?
Cl2 Re1 Re2 Cl6 95.29(8) . . . . ?
Re3 Re1 Re2 Cl6 93.99(6) . . . . ?
Cl1 Re1 Re2 Cl6 -81.26(11) 2_565 . . . ?
Cl4 Re1 Re2 Cl7 2.17(7) . . . . ?
Cl1 Re1 Re2 Cl7 170.74(7) . . . . ?
Cl3 Re1 Re2 Cl7 86.69(8) . . . . ?
Cl2 Re1 Re2 Cl7 -93.45(8) . . . . ?
Re3 Re1 Re2 Cl7 -94.75(5) . . . . ?
Cl1 Re1 Re2 Cl7 90.00(10) 2_565 . . . ?
Cl4 Re1 Re2 Cl5 97.03(8) . . . . ?
Cl1 Re1 Re2 Cl5 -94.40(8) . . . . ?
Cl3 Re1 Re2 Cl5 -178.45(8) . . . . ?
Cl2 Re1 Re2 Cl5 1.41(8) . . . . ?
Re3 Re1 Re2 Cl5 0.11(6) . . . . ?
Cl1 Re1 Re2 Cl5 -175.14(10) 2_565 . . . ?
Cl4 Re1 Re2 Cl3 -84.52(8) . . . . ?
Cl1 Re1 Re2 Cl3 84.04(8) . . . . ?
Cl2 Re1 Re2 Cl3 179.86(8) . . . . ?
Re3 Re1 Re2 Cl3 178.56(6) . . . . ?
Cl1 Re1 Re2 Cl3 3.31(11) 2_565 . . . ?
Cl4 Re1 Re2 Re3 96.92(5) . . . . ?
Cl1 Re1 Re2 Re3 -94.51(5) . . . . ?
Cl3 Re1 Re2 Re3 -178.56(6) . . . . ?
Cl2 Re1 Re2 Re3 1.30(6) . . . . ?
Cl1 Re1 Re2 Re3 -175.25(9) 2_565 . . . ?
Cl4 Re1 Re2 Cl8 -82.30(12) . . . . ?
Cl1 Re1 Re2 Cl8 86.26(12) . . . . ?
Cl3 Re1 Re2 Cl8 2.22(12) . . . . ?
Cl2 Re1 Re2 Cl8 -177.92(12) . . . . ?
Re3 Re1 Re2 Cl8 -179.23(11) . . . . ?
Cl1 Re1 Re2 Cl8 5.53(14) 2_565 . . . ?
Cl4 Re1 Re3 Cl10 -2.57(7) . . . . ?
Cl1 Re1 Re3 Cl10 -170.15(7) . . . . ?
Cl3 Re1 Re3 Cl10 95.33(8) . . . . ?
Cl2 Re1 Re3 Cl10 -84.81(8) . . . . ?
Re2 Re1 Re3 Cl10 93.89(5) . . . . ?
Cl1 Re1 Re3 Cl10 -91.08(11) 2_565 . . . ?
Cl4 Re1 Re3 Cl9 168.58(7) . . . . ?
Cl1 Re1 Re3 Cl9 1.00(7) . . . . ?
Cl3 Re1 Re3 Cl9 -93.52(8) . . . . ?
Cl2 Re1 Re3 Cl9 86.33(8) . . . . ?
Re2 Re1 Re3 Cl9 -94.97(5) . . . . ?
Cl1 Re1 Re3 Cl9 80.06(11) 2_565 . . . ?
Cl4 Re1 Re3 Cl2 82.25(8) . . . . ?
Cl1 Re1 Re3 Cl2 -85.33(8) . . . . ?
Cl3 Re1 Re3 Cl2 -179.85(8) . . . . ?
Re2 Re1 Re3 Cl2 178.70(6) . . . . ?
Cl1 Re1 Re3 Cl2 -6.27(11) 2_565 . . . ?
Cl4 Re1 Re3 Cl5 -96.56(8) . . . . ?
Cl1 Re1 Re3 Cl5 95.86(8) . . . . ?
Cl3 Re1 Re3 Cl5 1.34(8) . . . . ?
Cl2 Re1 Re3 Cl5 -178.81(8) . . . . ?
Re2 Re1 Re3 Cl5 -0.11(6) . . . . ?
Cl1 Re1 Re3 Cl5 174.92(11) 2_565 . . . ?
Cl4 Re1 Re3 Re2 -96.45(5) . . . . ?
Cl1 Re1 Re3 Re2 95.97(5) . . . . ?
Cl3 Re1 Re3 Re2 1.45(6) . . . . ?
Cl2 Re1 Re3 Re2 -178.70(6) . . . . ?
Cl1 Re1 Re3 Re2 175.03(9) 2_565 . . . ?
Cl4 Re1 Re3 Cl11 85.45(12) . . . . ?
Cl1 Re1 Re3 Cl11 -82.13(12) . . . . ?
Cl3 Re1 Re3 Cl11 -176.65(12) . . . . ?
Cl2 Re1 Re3 Cl11 3.21(12) . . . . ?
Re2 Re1 Re3 Cl11 -178.09(11) . . . . ?
Cl1 Re1 Re3 Cl11 -3.06(14) 2_565 . . . ?
Cl6 Re2 Re3 Cl10 167.09(7) . . . . ?
Cl7 Re2 Re3 Cl10 -1.62(7) . . . . ?
Cl5 Re2 Re3 Cl10 83.74(8) . . . . ?
Cl3 Re2 Re3 Cl10 -97.79(8) . . . . ?
Re1 Re2 Re3 Cl10 -96.37(5) . . . . ?
Cl8 Re2 Re3 Cl10 82.80(13) . . . . ?
Cl6 Re2 Re3 Cl9 -1.62(8) . . . . ?
Cl7 Re2 Re3 Cl9 -170.32(7) . . . . ?
Cl5 Re2 Re3 Cl9 -84.97(8) . . . . ?
Cl3 Re2 Re3 Cl9 93.50(8) . . . . ?
Re1 Re2 Re3 Cl9 94.92(6) . . . . ?
Cl8 Re2 Re3 Cl9 -85.90(13) . . . . ?
Cl6 Re2 Re3 Cl2 -97.81(8) . . . . ?
Cl7 Re2 Re3 Cl2 93.48(8) . . . . ?
Cl5 Re2 Re3 Cl2 178.84(8) . . . . ?
Cl3 Re2 Re3 Cl2 -2.69(8) . . . . ?
Re1 Re2 Re3 Cl2 -1.27(6) . . . . ?
Cl8 Re2 Re3 Cl2 177.91(13) . . . . ?
Cl6 Re2 Re3 Cl5 83.35(8) . . . . ?
Cl7 Re2 Re3 Cl5 -85.36(8) . . . . ?
Cl3 Re2 Re3 Cl5 178.47(8) . . . . ?
Re1 Re2 Re3 Cl5 179.89(6) . . . . ?
Cl8 Re2 Re3 Cl5 -0.93(13) . . . . ?
Cl6 Re2 Re3 Re1 -96.54(5) . . . . ?
Cl7 Re2 Re3 Re1 94.75(5) . . . . ?
Cl5 Re2 Re3 Re1 -179.89(6) . . . . ?
Cl3 Re2 Re3 Re1 -1.42(6) . . . . ?
Cl8 Re2 Re3 Re1 179.18(12) . . . . ?
Cl6 Re2 Re3 Cl11 81.44(12) . . . . ?
Cl7 Re2 Re3 Cl11 -87.27(12) . . . . ?
Cl5 Re2 Re3 Cl11 -1.91(12) . . . . ?
Cl3 Re2 Re3 Cl11 176.56(12) . . . . ?
Re1 Re2 Re3 Cl11 177.98(11) . . . . ?
Cl8 Re2 Re3 Cl11 -2.84(16) . . . . ?
Cl4 Re1 Cl1 Re1 2.2(2) . . . 2_565 ?
Cl3 Re1 Cl1 Re1 -89.11(8) . . . 2_565 ?
Cl2 Re1 Cl1 Re1 90.66(8) . . . 2_565 ?
Re2 Re1 Cl1 Re1 -148.20(5) . . . 2_565 ?
Re3 Re1 Cl1 Re1 149.88(5) . . . 2_565 ?
Cl1 Re1 Cl1 Re1 0.0 2_565 . . 2_565 ?
Cl4 Re1 Cl2 Re3 -103.65(6) . . . . ?
Cl1 Re1 Cl2 Re3 99.56(6) . . . . ?
Cl3 Re1 Cl2 Re3 153(34) . . . . ?
Re2 Re1 Cl2 Re3 -1.32(6) . . . . ?
Cl1 Re1 Cl2 Re3 176.88(5) 2_565 . . . ?
Cl10 Re3 Cl2 Re1 100.92(6) . . . . ?
Cl9 Re3 Cl2 Re1 -99.26(6) . . . . ?
Cl5 Re3 Cl2 Re1 21.9(15) . . . . ?
Re2 Re3 Cl2 Re1 1.27(6) . . . . ?
Cl11 Re3 Cl2 Re1 -178.37(6) . . . . ?
Cl4 Re1 Cl3 Re2 102.25(6) . . . . ?
Cl1 Re1 Cl3 Re2 -100.96(6) . . . . ?
Cl2 Re1 Cl3 Re2 -155(34) . . . . ?
Re3 Re1 Cl3 Re2 -1.47(6) . . . . ?
Cl1 Re1 Cl3 Re2 -178.28(6) 2_565 . . . ?
Cl6 Re2 Cl3 Re1 101.22(6) . . . . ?
Cl7 Re2 Cl3 Re1 -98.77(6) . . . . ?
Cl5 Re2 Cl3 Re1 32.6(16) . . . . ?
Re3 Re2 Cl3 Re1 1.42(6) . . . . ?
Cl8 Re2 Cl3 Re1 -178.87(6) . . . . ?
Cl6 Re2 Cl5 Re3 -100.60(6) . . . . ?
Cl7 Re2 Cl5 Re3 99.44(6) . . . . ?
Cl3 Re2 Cl5 Re3 -32.0(16) . . . . ?
Re1 Re2 Cl5 Re3 -0.11(6) . . . . ?
Cl8 Re2 Cl5 Re3 179.55(6) . . . . ?
Cl10 Re3 Cl5 Re2 -100.26(6) . . . . ?
Cl9 Re3 Cl5 Re2 99.97(6) . . . . ?
Cl2 Re3 Cl5 Re2 -21.2(15) . . . . ?
Re1 Re3 Cl5 Re2 0.11(6) . . . . ?
Cl11 Re3 Cl5 Re2 179.08(6) . . . . ?
C13 P1 C1 C2 -179.1(7) . . . . ?
C19 P1 C1 C2 -58.1(7) . . . . ?
C7 P1 C1 C2 64.3(7) . . . . ?
C13 P1 C1 C6 0.7(7) . . . . ?
C19 P1 C1 C6 121.7(6) . . . . ?
C7 P1 C1 C6 -115.9(6) . . . . ?
C6 C1 C2 C3 0.4(13) . . . . ?
P1 C1 C2 C3 -179.8(7) . . . . ?
C1 C2 C3 C4 -0.1(14) . . . . ?
C2 C3 C4 C5 -0.3(14) . . . . ?
C3 C4 C5 C6 0.4(13) . . . . ?
C4 C5 C6 C1 -0.1(11) . . . . ?
C2 C1 C6 C5 -0.3(11) . . . . ?
P1 C1 C6 C5 179.9(6) . . . . ?
C13 P1 C7 C12 52.6(8) . . . . ?
C1 P1 C7 C12 172.5(8) . . . . ?
C19 P1 C7 C12 -67.5(9) . . . . ?
C13 P1 C7 C8 -121.4(8) . . . . ?
C1 P1 C7 C8 -1.5(9) . . . . ?
C19 P1 C7 C8 118.4(8) . . . . ?
C12 C7 C8 C9 1.5(17) . . . . ?
P1 C7 C8 C9 175.6(9) . . . . ?
C7 C8 C9 C10 -0.4(19) . . . . ?
C8 C9 C10 C11 -1(2) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C8 C7 C12 C11 -1.7(16) . . . . ?
P1 C7 C12 C11 -175.8(9) . . . . ?
C10 C11 C12 C7 0.7(19) . . . . ?
C1 P1 C13 C18 107.9(7) . . . . ?
C19 P1 C13 C18 -11.8(8) . . . . ?
C7 P1 C13 C18 -133.3(7) . . . . ?
C1 P1 C13 C14 -72.2(7) . . . . ?
C19 P1 C13 C14 168.1(6) . . . . ?
C7 P1 C13 C14 46.6(7) . . . . ?
C18 C13 C14 C15 -0.3(12) . . . . ?
P1 C13 C14 C15 179.8(6) . . . . ?
C13 C14 C15 C16 0.9(13) . . . . ?
C14 C15 C16 C17 -1.5(15) . . . . ?
C15 C16 C17 C18 1.5(15) . . . . ?
C16 C17 C18 C13 -1.0(14) . . . . ?
C14 C13 C18 C17 0.4(12) . . . . ?
P1 C13 C18 C17 -179.7(7) . . . . ?
C13 P1 C19 C24 -68.6(8) . . . . ?
C1 P1 C19 C24 169.8(7) . . . . ?
C7 P1 C19 C24 49.0(8) . . . . ?
C13 P1 C19 C20 111.0(7) . . . . ?
C1 P1 C19 C20 -10.6(8) . . . . ?
C7 P1 C19 C20 -131.4(7) . . . . ?
C24 C19 C20 C21 -0.5(13) . . . . ?
P1 C19 C20 C21 179.9(7) . . . . ?
C19 C20 C21 C22 0.7(14) . . . . ?
C20 C21 C22 C23 -0.8(15) . . . . ?
C21 C22 C23 C24 0.7(16) . . . . ?
C20 C19 C24 C23 0.5(14) . . . . ?
P1 C19 C24 C23 -179.9(8) . . . . ?
C22 C23 C24 C19 -0.6(16) . . . . ?
C31 P2 C25 C30 -138.3(7) . . . . ?
C43 P2 C25 C30 -17.7(8) . . . . ?
C37 P2 C25 C30 101.9(7) . . . . ?
C31 P2 C25 C26 44.6(8) . . . . ?
C43 P2 C25 C26 165.3(7) . . . . ?
C37 P2 C25 C26 -75.2(8) . . . . ?
C30 C25 C26 C27 -0.3(13) . . . . ?
P2 C25 C26 C27 176.8(7) . . . . ?
C25 C26 C27 C28 1.1(15) . . . . ?
C26 C27 C28 C29 -1.5(17) . . . . ?
C27 C28 C29 C30 1.0(18) . . . . ?
C26 C25 C30 C29 -0.2(13) . . . . ?
P2 C25 C30 C29 -177.2(8) . . . . ?
C28 C29 C30 C25 -0.2(16) . . . . ?
C43 P2 C31 C36 105.4(8) . . . . ?
C37 P2 C31 C36 -13.2(9) . . . . ?
C25 P2 C31 C36 -134.2(7) . . . . ?
C43 P2 C31 C32 -69.9(8) . . . . ?
C37 P2 C31 C32 171.6(7) . . . . ?
C25 P2 C31 C32 50.6(8) . . . . ?
C36 C31 C32 C33 -0.6(14) . . . . ?
P2 C31 C32 C33 174.6(8) . . . . ?
C31 C32 C33 C34 1.1(16) . . . . ?
C32 C33 C34 C35 1.8(19) . . . . ?
C33 C34 C35 C36 -5.1(19) . . . . ?
C32 C31 C36 C35 -2.8(15) . . . . ?
P2 C31 C36 C35 -177.9(8) . . . . ?
C34 C35 C36 C31 5.6(17) . . . . ?
C31 P2 C37 C38 -95.8(7) . . . . ?
C43 P2 C37 C38 144.3(7) . . . . ?
C25 P2 C37 C38 23.7(8) . . . . ?
C31 P2 C37 C42 80.0(7) . . . . ?
C43 P2 C37 C42 -39.9(8) . . . . ?
C25 P2 C37 C42 -160.5(7) . . . . ?
C42 C37 C38 C39 -0.8(13) . . . . ?
P2 C37 C38 C39 174.9(7) . . . . ?
C37 C38 C39 C40 1.2(15) . . . . ?
C38 C39 C40 C41 -1.5(16) . . . . ?
C39 C40 C41 C42 1.3(16) . . . . ?
C38 C37 C42 C41 0.5(13) . . . . ?
P2 C37 C42 C41 -175.3(7) . . . . ?
C40 C41 C42 C37 -0.8(15) . . . . ?
C31 P2 C43 C44 -166.1(7) . . . . ?
C37 P2 C43 C44 -47.0(8) . . . . ?
C25 P2 C43 C44 74.3(7) . . . . ?
C31 P2 C43 C48 13.6(8) . . . . ?
C37 P2 C43 C48 132.7(7) . . . . ?
C25 P2 C43 C48 -106.0(7) . . . . ?
C48 C43 C44 C45 0.6(13) . . . . ?
P2 C43 C44 C45 -179.6(7) . . . . ?
C43 C44 C45 C46 -0.8(15) . . . . ?
C44 C45 C46 C47 1.4(16) . . . . ?
C45 C46 C47 C48 -2.0(15) . . . . ?
C44 C43 C48 C47 -1.1(13) . . . . ?
P2 C43 C48 C47 179.2(7) . . . . ?
C46 C47 C48 C43 1.8(14) . . . . ?
