#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:18:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180071 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/17/7051727.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_7051727
loop_
_publ_author_name
'Vălean, Ana-Maria'
'Gómez-Ruiz, Santiago'
'Lönnecke, Peter'
'Silaghi-Dumitrescu, Ioan'
'Silaghi-Dumitrescu, Luminita'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Stabilisation of an inorganic digallane by the phosphinobisthiolato
 P,S,S pincer ligand PPh(2-SC6H4)2
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1771
_journal_paper_doi               10.1039/b907668a
_journal_volume                  33
_journal_year                    2009
_chemical_formula_sum            'C22 H22 Ga P S2'
_chemical_formula_weight         451.21
_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                93.733(17)
_cell_angle_beta                 102.653(16)
_cell_angle_gamma                99.969(17)
_cell_formula_units_Z            4
_cell_length_a                   11.064(2)
_cell_length_b                   12.605(3)
_cell_length_c                   15.919(3)
_cell_measurement_reflns_used    13965
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      31.9798
_cell_measurement_theta_min      2.5675
_cell_volume                     2121.2(8)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       'ω scans and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38133
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.573
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.88482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         10517
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0618
_reflns_number_gt                6962
_reflns_number_total             10517
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907668a.txt
_cod_data_source_block           x0057fin
_cod_original_cell_volume        2121.1(7)
_cod_database_code               7051727
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
C2 C 0.3525(2) 0.41897(19) 0.11594(15) 0.0444(6) Uani 1 1 d . . .
H2A H 0.4334 0.4297 0.1586 0.067 Uiso 1 1 calc R . .
H2B H 0.3663 0.4453 0.0616 0.067 Uiso 1 1 calc R . .
H2C H 0.3145 0.3416 0.1055 0.067 Uiso 1 1 calc R . .
C3 C 0.1327(2) 0.4572(2) 0.08823(18) 0.0533(7) Uani 1 1 d . . .
H3A H 0.1394 0.4799 0.0314 0.080 Uiso 1 1 calc R . .
H3B H 0.0766 0.4971 0.1116 0.080 Uiso 1 1 calc R . .
H3C H 0.0982 0.3793 0.0821 0.080 Uiso 1 1 calc R . .
C4 C 0.2538(3) 0.4494(2) 0.23991(15) 0.0476(7) Uani 1 1 d . . .
H4A H 0.2169 0.3722 0.2353 0.071 Uiso 1 1 calc R . .
H4B H 0.1998 0.4921 0.2628 0.071 Uiso 1 1 calc R . .
H4C H 0.3380 0.4637 0.2790 0.071 Uiso 1 1 calc R . .
C1 C 0.2644(2) 0.48125(17) 0.15028(13) 0.0300(5) Uani 1 1 d . . .
C5 C 0.29887(18) 0.84581(16) 0.27305(12) 0.0228(4) Uani 1 1 d . . .
C6 C 0.42647(18) 0.84479(15) 0.30895(12) 0.0211(4) Uani 1 1 d . . .
C7 C 0.49975(19) 0.93100(16) 0.36848(13) 0.0261(5) Uani 1 1 d . . .
H7 H 0.5863 0.9304 0.3920 0.031 Uiso 1 1 calc R . .
C8 C 0.4488(2) 1.01669(17) 0.39365(13) 0.0298(5) Uani 1 1 d . . .
H8 H 0.4997 1.0752 0.4335 0.036 Uiso 1 1 calc R . .
C9 C 0.3216(2) 1.01597(18) 0.35962(14) 0.0319(5) Uani 1 1 d . . .
H9 H 0.2851 1.0741 0.3772 0.038 Uiso 1 1 calc R . .
C10 C 0.2482(2) 0.93273(17) 0.30112(13) 0.0277(5) Uani 1 1 d . . .
H10 H 0.1614 0.9338 0.2791 0.033 Uiso 1 1 calc R . .
C11 C 0.57094(17) 0.67934(15) 0.37191(11) 0.0189(4) Uani 1 1 d . . .
C12 C 0.65642(19) 0.61235(17) 0.36476(13) 0.0270(5) Uani 1 1 d . . .
H12 H 0.6776 0.5988 0.3109 0.032 Uiso 1 1 calc R . .
C13 C 0.7107(2) 0.56533(18) 0.43642(14) 0.0344(5) Uani 1 1 d . . .
H13 H 0.7693 0.5197 0.4314 0.041 Uiso 1 1 calc R . .
C14 C 0.6805(2) 0.58434(19) 0.51457(14) 0.0368(6) Uani 1 1 d . . .
H14 H 0.7183 0.5522 0.5635 0.044 Uiso 1 1 calc R . .
C15 C 0.5947(2) 0.6505(2) 0.52190(14) 0.0388(6) Uani 1 1 d . . .
H15 H 0.5734 0.6633 0.5758 0.047 Uiso 1 1 calc R . .
C16 C 0.5398(2) 0.69782(18) 0.45092(13) 0.0305(5) Uani 1 1 d . . .
H16 H 0.4809 0.7430 0.4562 0.037 Uiso 1 1 calc R . .
C17 C 0.58938(18) 0.77827(15) 0.13140(12) 0.0198(4) Uani 1 1 d . . .
C18 C 0.61809(17) 0.79019(15) 0.22263(12) 0.0177(4) Uani 1 1 d . . .
C19 C 0.73577(18) 0.84717(15) 0.26934(12) 0.0210(4) Uani 1 1 d . . .
H19 H 0.7551 0.8530 0.3308 0.025 Uiso 1 1 calc R . .
C20 C 0.82466(18) 0.89526(16) 0.22763(13) 0.0235(4) Uani 1 1 d . . .
H20 H 0.9036 0.9357 0.2600 0.028 Uiso 1 1 calc R . .
C21 C 0.79731(19) 0.88384(16) 0.13795(13) 0.0246(5) Uani 1 1 d . . .
H21 H 0.8583 0.9159 0.1088 0.030 Uiso 1 1 calc R . .
C22 C 0.68147(19) 0.82591(16) 0.09027(13) 0.0240(4) Uani 1 1 d . . .
H22 H 0.6645 0.8185 0.0288 0.029 Uiso 1 1 calc R . .
C23 C 0.88465(19) 0.20161(16) 0.47736(12) 0.0237(4) Uani 1 1 d . . .
C24 C 0.8218(2) 0.08342(18) 0.44810(15) 0.0467(7) Uani 1 1 d . . .
H24A H 0.8822 0.0445 0.4291 0.070 Uiso 1 1 calc R . .
H24B H 0.7483 0.0799 0.4000 0.070 Uiso 1 1 calc R . .
H24C H 0.7946 0.0500 0.4964 0.070 Uiso 1 1 calc R . .
C25 C 1.0009(2) 0.2069(2) 0.55131(13) 0.0389(6) Uani 1 1 d . . .
H25A H 0.9747 0.1762 0.6010 0.058 Uiso 1 1 calc R . .
H25B H 1.0437 0.2826 0.5683 0.058 Uiso 1 1 calc R . .
H25C H 1.0588 0.1653 0.5320 0.058 Uiso 1 1 calc R . .
C26 C 0.7923(2) 0.2636(2) 0.50734(15) 0.0415(6) Uani 1 1 d . . .
H26A H 0.7687 0.2333 0.5579 0.062 Uiso 1 1 calc R . .
H26B H 0.7166 0.2574 0.4605 0.062 Uiso 1 1 calc R . .
H26C H 0.8322 0.3402 0.5229 0.062 Uiso 1 1 calc R . .
C27 C 0.90024(17) 0.47127(15) 0.27802(12) 0.0189(4) Uani 1 1 d . . .
C28 C 0.80474(17) 0.39356(15) 0.22182(11) 0.0175(4) Uani 1 1 d . . .
C29 C 0.72338(19) 0.42524(16) 0.15178(12) 0.0239(5) Uani 1 1 d . . .
H29 H 0.6571 0.3729 0.1156 0.029 Uiso 1 1 calc R . .
C30 C 0.7390(2) 0.53233(17) 0.13500(13) 0.0294(5) Uani 1 1 d . . .
H30 H 0.6820 0.5542 0.0885 0.035 Uiso 1 1 calc R . .
C31 C 0.8382(2) 0.60754(17) 0.18640(13) 0.0291(5) Uani 1 1 d . . .
H31 H 0.8517 0.6804 0.1730 0.035 Uiso 1 1 calc R . .
C32 C 0.91772(19) 0.57790(16) 0.25683(13) 0.0239(4) Uani 1 1 d . . .
H32 H 0.9852 0.6307 0.2913 0.029 Uiso 1 1 calc R . .
C33 C 0.63865(17) 0.18152(15) 0.20173(12) 0.0192(4) Uani 1 1 d . . .
C34 C 0.54466(18) 0.22236(17) 0.23090(13) 0.0261(5) Uani 1 1 d . . .
H34 H 0.5654 0.2884 0.2679 0.031 Uiso 1 1 calc R . .
C35 C 0.42025(19) 0.16686(17) 0.20611(14) 0.0309(5) Uani 1 1 d . . .
H35 H 0.3560 0.1950 0.2260 0.037 Uiso 1 1 calc R . .
C36 C 0.39013(19) 0.07072(17) 0.15249(13) 0.0271(5) Uani 1 1 d . . .
H36 H 0.3051 0.0329 0.1354 0.033 Uiso 1 1 calc R . .
C37 C 0.48329(19) 0.02958(16) 0.12367(13) 0.0278(5) Uani 1 1 d . . .
H37 H 0.4622 -0.0367 0.0870 0.033 Uiso 1 1 calc R . .
C38 C 0.60749(18) 0.08447(16) 0.14784(13) 0.0253(5) Uani 1 1 d . . .
H38 H 0.6713 0.0559 0.1277 0.030 Uiso 1 1 calc R . .
C40 C 1.00274(17) 0.16545(14) 0.20788(12) 0.0189(4) Uani 1 1 d . . .
C41 C 0.89213(17) 0.20172(14) 0.16958(12) 0.0177(4) Uani 1 1 d . . .
C42 C 0.85561(19) 0.19830(15) 0.07906(12) 0.0237(5) Uani 1 1 d . . .
H42 H 0.7811 0.2231 0.0534 0.028 Uiso 1 1 calc R . .
C43 C 0.9258(2) 0.15960(16) 0.02683(13) 0.0293(5) Uani 1 1 d . . .
H43 H 0.9004 0.1579 -0.0343 0.035 Uiso 1 1 calc R . .
C44 C 1.03514(19) 0.12276(16) 0.06487(13) 0.0281(5) Uani 1 1 d . . .
H44 H 1.0842 0.0958 0.0294 0.034 Uiso 1 1 calc R . .
C45 C 1.07196(18) 0.12542(16) 0.15355(13) 0.0239(5) Uani 1 1 d . . .
H45 H 1.1460 0.0995 0.1784 0.029 Uiso 1 1 calc R . .
P1 P 0.49647(5) 0.73455(4) 0.27609(3) 0.01812(11) Uani 1 1 d . . .
P2 P 0.80036(5) 0.25332(4) 0.23799(3) 0.01714(11) Uani 1 1 d . . .
S1 S 0.19579(5) 0.74389(5) 0.19594(4) 0.03221(13) Uani 1 1 d . . .
S2 S 0.44349(5) 0.70917(4) 0.06441(3) 0.02879(13) Uani 1 1 d . . .
S3 S 0.99833(5) 0.44517(4) 0.37524(3) 0.02481(12) Uani 1 1 d . . .
S4 S 1.06362(5) 0.16612(4) 0.32046(3) 0.02547(12) Uani 1 1 d . . .
Ga1 Ga 0.33202(2) 0.639092(18) 0.161913(14) 0.02383(6) Uani 1 1 d . . .
Ga2 Ga 0.93721(2) 0.262868(17) 0.376478(13) 0.01920(6) 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 '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
C2 C1 C4 109.79(19) . . ?
C2 C1 C3 110.37(19) . . ?
C4 C1 C3 109.7(2) . . ?
C2 C1 Ga1 110.16(15) . . ?
C4 C1 Ga1 108.01(14) . . ?
C3 C1 Ga1 108.79(15) . . ?
C6 C5 C10 118.04(18) . . ?
C6 C5 S1 124.67(16) . . ?
C10 C5 S1 117.28(15) . . ?
C7 C6 C5 119.68(18) . . ?
C7 C6 P1 120.25(15) . . ?
C5 C6 P1 120.04(15) . . ?
C8 C7 C6 121.30(19) . . ?
C7 C8 C9 118.8(2) . . ?
C10 C9 C8 120.9(2) . . ?
C9 C10 C5 121.21(19) . . ?
C16 C11 C12 119.51(18) . . ?
C16 C11 P1 121.63(15) . . ?
C12 C11 P1 118.77(15) . . ?
C13 C12 C11 119.89(19) . . ?
C14 C13 C12 120.5(2) . . ?
C13 C14 C15 119.87(19) . . ?
C14 C15 C16 120.2(2) . . ?
C15 C16 C11 120.0(2) . . ?
C22 C17 C18 117.98(17) . . ?
C22 C17 S2 117.28(14) . . ?
C18 C17 S2 124.72(15) . . ?
C19 C18 C17 120.14(18) . . ?
C19 C18 P1 121.67(14) . . ?
C17 C18 P1 118.14(14) . . ?
C20 C19 C18 121.05(18) . . ?
C19 C20 C21 119.18(18) . . ?
C20 C21 C22 120.63(19) . . ?
C21 C22 C17 120.99(18) . . ?
C26 C23 C24 110.32(19) . . ?
C26 C23 C25 109.94(17) . . ?
C24 C23 C25 109.39(19) . . ?
C26 C23 Ga2 110.57(14) . . ?
C24 C23 Ga2 106.93(14) . . ?
C25 C23 Ga2 109.64(14) . . ?
C32 C27 C28 117.92(16) . . ?
C32 C27 S3 117.00(14) . . ?
C28 C27 S3 125.06(14) . . ?
C29 C28 C27 120.32(17) . . ?
C29 C28 P2 121.62(14) . . ?
C27 C28 P2 117.86(13) . . ?
C30 C29 C28 120.28(18) . . ?
C29 C30 C31 119.52(18) . . ?
C32 C31 C30 120.80(19) . . ?
C31 C32 C27 120.89(18) . . ?
C34 C33 C38 119.55(18) . . ?
C34 C33 P2 119.08(15) . . ?
C38 C33 P2 121.33(15) . . ?
C33 C34 C35 120.14(19) . . ?
C36 C35 C34 119.9(2) . . ?
C37 C36 C35 120.14(19) . . ?
C36 C37 C38 120.35(19) . . ?
C37 C38 C33 119.89(19) . . ?
C45 C40 C41 118.25(17) . . ?
C45 C40 S4 116.24(14) . . ?
C41 C40 S4 125.51(15) . . ?
C40 C41 C42 119.62(18) . . ?
C40 C41 P2 119.29(14) . . ?
C42 C41 P2 121.08(15) . . ?
C43 C42 C41 121.16(19) . . ?
C42 C43 C44 119.19(19) . . ?
C45 C44 C43 120.27(19) . . ?
C44 C45 C40 121.49(19) . . ?
C6 P1 C18 107.59(9) . . ?
C6 P1 C11 108.72(9) . . ?
C18 P1 C11 108.13(9) . . ?
C6 P1 Ga1 101.26(6) . . ?
C18 P1 Ga1 103.96(6) . . ?
C11 P1 Ga1 125.97(7) . . ?
C28 P2 C41 106.88(9) . . ?
C28 P2 C33 108.41(9) . . ?
C41 P2 C33 108.36(9) . . ?
C28 P2 Ga2 102.70(6) . . ?
C41 P2 Ga2 101.05(6) . . ?
C33 P2 Ga2 127.81(6) . . ?
C5 S1 Ga1 101.89(7) . . ?
C17 S2 Ga1 103.53(7) . . ?
C27 S3 Ga2 102.90(7) . . ?
C40 S4 Ga2 101.41(7) . . ?
C1 Ga1 S1 113.79(7) . . ?
C1 Ga1 S2 119.37(7) . . ?
S1 Ga1 S2 113.79(3) . . ?
C1 Ga1 P1 125.07(6) . . ?
S1 Ga1 P1 90.90(3) . . ?
S2 Ga1 P1 89.01(3) . . ?
C23 Ga2 S3 121.42(6) . . ?
C23 Ga2 S4 112.88(6) . . ?
S3 Ga2 S4 112.31(3) . . ?
C23 Ga2 P2 124.05(6) . . ?
S3 Ga2 P2 89.90(3) . . ?
S4 Ga2 P2 91.03(2) . . ?
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
C2 C1 1.519(3) . ?
C3 C1 1.539(3) . ?
C4 C1 1.530(3) . ?
C1 Ga1 1.982(2) . ?
C5 C6 1.405(3) . ?
C5 C10 1.404(3) . ?
C5 S1 1.770(2) . ?
C6 C7 1.400(3) . ?
C6 P1 1.805(2) . ?
C7 C8 1.377(3) . ?
C8 C9 1.392(3) . ?
C9 C10 1.369(3) . ?
C11 C16 1.391(3) . ?
C11 C12 1.390(3) . ?
C11 P1 1.8100(18) . ?
C12 C13 1.387(3) . ?
C13 C14 1.374(3) . ?
C14 C15 1.385(3) . ?
C15 C16 1.384(3) . ?
C17 C22 1.400(3) . ?
C17 C18 1.409(2) . ?
C17 S2 1.7718(19) . ?
C18 C19 1.395(3) . ?
C18 P1 1.8110(19) . ?
C19 C20 1.381(3) . ?
C20 C21 1.385(3) . ?
C21 C22 1.389(3) . ?
C23 C26 1.525(3) . ?
C23 C24 1.526(3) . ?
C23 C25 1.530(3) . ?
C23 Ga2 1.9821(19) . ?
C27 C32 1.398(3) . ?
C27 C28 1.411(3) . ?
C27 S3 1.7707(19) . ?
C28 C29 1.398(2) . ?
C28 P2 1.7969(19) . ?
C29 C30 1.382(3) . ?
C30 C31 1.385(3) . ?
C31 C32 1.381(3) . ?
C33 C34 1.388(3) . ?
C33 C38 1.393(3) . ?
C33 P2 1.8088(19) . ?
C34 C35 1.390(3) . ?
C35 C36 1.382(3) . ?
C36 C37 1.379(3) . ?
C37 C38 1.385(3) . ?
C40 C45 1.399(3) . ?
C40 C41 1.408(3) . ?
C40 S4 1.7700(19) . ?
C41 C42 1.405(3) . ?
C41 P2 1.806(2) . ?
C42 C43 1.376(3) . ?
C43 C44 1.398(3) . ?
C44 C45 1.377(3) . ?
P1 Ga1 2.3602(8) . ?
P2 Ga2 2.3680(7) . ?
S1 Ga1 2.2943(7) . ?
S2 Ga1 2.3132(7) . ?
S3 Ga2 2.2828(8) . ?
S4 Ga2 2.2876(7) . ?
