#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/63/7036325.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_7036325
loop_
_publ_author_name
'Bresien, Jonas'
'Faust, Kirill'
'Hering-Junghans, Christian'
'Rothe, Julia'
'Schulz, Axel'
'Villinger, Alexander'
_publ_section_title
;
 Synthetic strategies to bicyclic tetraphosphanes using P1, P2 and P4
 building blocks.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1998
_journal_page_last               2007
_journal_paper_doi               10.1039/c5dt02757h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C36 H58 Cl3 Ga P4, C7 H8'
_chemical_formula_sum            'C43 H66 Cl3 Ga P4'
_chemical_formula_weight         882.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-20 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.676(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2689(4)
_cell_length_b                   12.9252(5)
_cell_length_c                   14.1556(5)
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      62.474
_cell_measurement_theta_min      5.277
_cell_volume                     2427.56(15)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0511
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            48175
_diffrn_reflns_theta_full        33.50
_diffrn_reflns_theta_max         33.50
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  0.8561
_exptl_absorpt_correction_T_min  0.6354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         9856
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0394
_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)+(0.0374P)²+0.6528P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0945
_reflns_number_gt                6949
_reflns_number_total             9856
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c5dt02757h2.cif
_cod_data_source_block           jb54_endo_exo_MesP4Mes_GaCl3_toluene
_cod_depositor_comments
'Adding full bibliography for 7036321--7036328.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7036325
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
P1 P 0.09357(3) 0.7500 0.30415(3) 0.01896(10) Uani 1 2 d S . .
P2 P 0.09967(3) 0.66461(3) 0.17108(2) 0.02405(8) Uani 1 1 d . . .
P3 P 0.24397(4) 0.7500 0.14838(3) 0.02136(10) Uani 1 2 d S . .
Ga1 Ga -0.080683(16) 0.7500 0.346794(15) 0.02321(6) Uani 1 2 d S . .
Cl1 Cl -0.10213(4) 0.7500 0.49746(4) 0.03331(12) Uani 1 2 d S . .
Cl2 Cl -0.14194(3) 0.61276(4) 0.28132(4) 0.05081(13) Uani 1 1 d . . .
C1 C 0.21423(13) 0.7500 0.36711(12) 0.0208(4) Uani 1 2 d S . .
C2 C 0.26631(10) 0.65496(12) 0.37585(9) 0.0260(3) Uani 1 1 d . . .
C3 C 0.37106(11) 0.65879(15) 0.36758(11) 0.0355(4) Uani 1 1 d . . .
H3 H 0.4078 0.5957 0.3702 0.043 Uiso 1 1 calc R . .
C4 C 0.42382(15) 0.7500 0.35576(15) 0.0362(6) Uani 1 2 d S . .
C5 C 0.21936(12) 0.54996(13) 0.40145(11) 0.0332(3) Uani 1 1 d . . .
C6 C 0.10667(12) 0.55336(14) 0.42346(13) 0.0372(4) Uani 1 1 d . . .
H6A H 0.0680 0.5621 0.3646 0.056 Uiso 1 1 calc R . .
H6B H 0.0931 0.6116 0.4658 0.056 Uiso 1 1 calc R . .
H6C H 0.0868 0.4886 0.4540 0.056 Uiso 1 1 calc R . .
C7 C 0.23683(16) 0.46855(15) 0.32495(15) 0.0502(5) Uani 1 1 d . . .
H7A H 0.2155 0.4006 0.3481 0.075 Uiso 1 1 calc R . .
H7B H 0.3086 0.4663 0.3096 0.075 Uiso 1 1 calc R . .
H7C H 0.1976 0.4865 0.2682 0.075 Uiso 1 1 calc R . .
C8 C 0.27234(16) 0.51431(19) 0.49382(14) 0.0571(6) Uani 1 1 d . . .
H8A H 0.2433 0.4485 0.5144 0.086 Uiso 1 1 calc R . .
H8B H 0.2628 0.5667 0.5430 0.086 Uiso 1 1 calc R . .
H8C H 0.3445 0.5052 0.4825 0.086 Uiso 1 1 calc R . .
C9 C 0.53654(17) 0.7500 0.33225(19) 0.0509(8) Uani 1 2 d S . .
C10 C 0.5541(3) 0.7001(5) 0.2443(4) 0.088(2) Uani 0.50 1 d P . .
H10A H 0.5139 0.7339 0.1946 0.133 Uiso 0.50 1 calc PR . .
H10B H 0.5346 0.6272 0.2488 0.133 Uiso 0.50 1 calc PR . .
H10C H 0.6257 0.7049 0.2290 0.133 Uiso 0.50 1 calc PR . .
C11 C 0.5967(3) 0.7295(11) 0.4157(4) 0.105(5) Uani 0.50 1 d P . .
H11A H 0.5879 0.6572 0.4347 0.157 Uiso 0.50 1 calc PR . .
H11B H 0.5752 0.7750 0.4670 0.157 Uiso 0.50 1 calc PR . .
H11C H 0.6678 0.7424 0.4021 0.157 Uiso 0.50 1 calc PR . .
C12 C 0.5726(3) 0.8747(4) 0.3114(4) 0.0563(12) Uani 0.50 1 d P . .
H12A H 0.6429 0.8757 0.2908 0.085 Uiso 0.50 1 calc PR . .
H12B H 0.5663 0.9153 0.3695 0.085 Uiso 0.50 1 calc PR . .
H12C H 0.5294 0.9046 0.2619 0.085 Uiso 0.50 1 calc PR . .
C13 C 0.23597(15) 0.7500 0.01685(13) 0.0229(4) Uani 1 2 d S . .
C14 C 0.22209(11) 0.65528(12) -0.03236(9) 0.0262(3) Uani 1 1 d . . .
C15 C 0.17064(12) 0.65867(13) -0.11921(10) 0.0296(3) Uani 1 1 d . . .
H15 H 0.1576 0.5955 -0.1514 0.036 Uiso 1 1 calc R . .
C16 C 0.13798(17) 0.7500 -0.16027(14) 0.0297(4) Uani 1 2 d S . .
C17 C 0.26505(12) 0.54796(13) -0.00355(10) 0.0315(3) Uani 1 1 d . . .
C18 C 0.33892(14) 0.55053(14) 0.08089(11) 0.0387(4) Uani 1 1 d . . .
H18A H 0.3019 0.5654 0.1388 0.058 Uiso 1 1 calc R . .
H18B H 0.3895 0.6046 0.0708 0.058 Uiso 1 1 calc R . .
H18C H 0.3725 0.4833 0.0869 0.058 Uiso 1 1 calc R . .
C19 C 0.32816(15) 0.50734(16) -0.08721(12) 0.0436(4) Uani 1 1 d . . .
H19A H 0.3580 0.4404 -0.0704 0.065 Uiso 1 1 calc R . .
H19B H 0.3819 0.5569 -0.1011 0.065 Uiso 1 1 calc R . .
H19C H 0.2845 0.4991 -0.1430 0.065 Uiso 1 1 calc R . .
C20 C 0.18103(15) 0.46921(14) 0.01440(13) 0.0426(4) Uani 1 1 d . . .
H20A H 0.2109 0.4015 0.0285 0.064 Uiso 1 1 calc R . .
H20B H 0.1377 0.4638 -0.0419 0.064 Uiso 1 1 calc R . .
H20C H 0.1408 0.4920 0.0681 0.064 Uiso 1 1 calc R . .
C21 C 0.07161(19) 0.7500 -0.24952(15) 0.0362(5) Uani 1 2 d S . .
C22 C 0.1312(4) 0.6988(4) -0.3305(2) 0.0614(12) Uani 0.50 1 d P . .
H22A H 0.1515 0.6288 -0.3117 0.092 Uiso 0.50 1 calc PR . .
H22B H 0.1914 0.7401 -0.3438 0.092 Uiso 0.50 1 calc PR . .
H22C H 0.0885 0.6952 -0.3874 0.092 Uiso 0.50 1 calc PR . .
C23 C -0.0206(4) 0.6817(5) -0.2310(4) 0.0776(18) Uani 0.50 1 d P . .
H23A H -0.0663 0.6840 -0.2858 0.116 Uiso 0.50 1 calc PR . .
H23B H -0.0558 0.7072 -0.1751 0.116 Uiso 0.50 1 calc PR . .
H23C H 0.0013 0.6102 -0.2201 0.116 Uiso 0.50 1 calc PR . .
C24 C 0.0409(5) 0.8535(4) -0.2810(3) 0.0703(16) Uani 0.50 1 d P . .
H24A H -0.0040 0.8475 -0.3362 0.106 Uiso 0.50 1 calc PR . .
H24B H 0.1007 0.8936 -0.2980 0.106 Uiso 0.50 1 calc PR . .
H24C H 0.0054 0.8887 -0.2299 0.106 Uiso 0.50 1 calc PR . .
C25A C 0.5029(12) 0.2500 0.2520(12) 0.083(2) Uani 0.82(6) 2 d SPD A 1
C26A C 0.4022(12) 0.2500 0.2603(13) 0.065(2) Uani 0.82(6) 2 d SPD A 1
H26A H 0.3735 0.2500 0.3215 0.078 Uiso 0.82(6) 2 calc SPR A 1
C27A C 0.3417(10) 0.2500 0.1843(15) 0.069(3) Uani 0.82(6) 2 d SPD A 1
H27A H 0.2705 0.2500 0.1906 0.082 Uiso 0.82(6) 2 calc SPR A 1
C28A C 0.3862(10) 0.2500 0.0943(13) 0.078(2) Uani 0.82(6) 2 d SPD A 1
H28A H 0.3449 0.2500 0.0390 0.094 Uiso 0.82(6) 2 calc SPR A 1
C29A C 0.4884(10) 0.2500 0.0867(11) 0.081(2) Uani 0.82(6) 2 d SPD A 1
H29A H 0.5190 0.2500 0.0263 0.097 Uiso 0.82(6) 2 calc SPR A 1
C30A C 0.5469(11) 0.2500 0.1676(11) 0.098(3) Uani 0.82(6) 2 d SPD A 1
H30A H 0.6183 0.2500 0.1635 0.117 Uiso 0.82(6) 2 calc SPR A 1
C31A C 0.5709(16) 0.2500 0.3410(12) 0.190(5) Uani 0.82(6) 2 d SPD A 1
H31A H 0.6341 0.2141 0.3274 0.285 Uiso 0.41(3) 1 calc PR A 1
H31B H 0.5363 0.2144 0.3925 0.285 Uiso 0.41(3) 1 calc PR A 1
H31C H 0.5854 0.3215 0.3598 0.285 Uiso 0.41(3) 1 calc PR A 1
C25B C 0.480(4) 0.2500 0.235(4) 0.083(2) Uani 0.18(6) 2 d SPD A 2
C26B C 0.379(4) 0.2500 0.237(4) 0.065(2) Uani 0.18(6) 2 d SPD A 2
H26B H 0.3466 0.2500 0.2961 0.078 Uiso 0.18(6) 2 calc SPR A 2
C27B C 0.324(3) 0.2500 0.157(5) 0.069(3) Uani 0.18(6) 2 d SPD A 2
H27B H 0.2526 0.2500 0.1592 0.082 Uiso 0.18(6) 2 calc SPR A 2
C28B C 0.375(4) 0.2500 0.070(4) 0.078(2) Uani 0.18(6) 2 d SPD A 2
H28B H 0.3372 0.2500 0.0124 0.094 Uiso 0.18(6) 2 calc SPR A 2
C29B C 0.477(4) 0.2500 0.069(4) 0.081(2) Uani 0.18(6) 2 d SPD A 2
H29B H 0.5118 0.2500 0.0104 0.097 Uiso 0.18(6) 2 calc SPR A 2
C30B C 0.530(3) 0.2500 0.153(4) 0.098(3) Uani 0.18(6) 2 d SPD A 2
H30B H 0.6016 0.2500 0.1531 0.117 Uiso 0.18(6) 2 calc SPR A 2
C31B C 0.543(6) 0.2500 0.327(4) 0.190(5) Uani 0.18(6) 2 d SPD A 2
H31D H 0.6151 0.2500 0.3118 0.285 Uiso 0.18(6) 2 calc SPR A 2
H31E H 0.5272 0.1881 0.3638 0.285 Uiso 0.09(3) 1 calc PR A 2
H31F H 0.5272 0.3119 0.3638 0.285 Uiso 0.09(3) 1 calc PR A 2
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'
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
C1 P1 P2 112.34(5) . .
C1 P1 P2 112.34(5) . 4_575
P2 P1 P2 60.67(2) . 4_575
C1 P1 Ga1 136.15(6) . .
P2 P1 Ga1 105.23(2) . .
P2 P1 Ga1 105.23(2) 4_575 .
P1 P2 P2 59.667(12) . 4_575
P1 P2 P3 85.13(2) . .
P2 P2 P3 60.429(12) 4_575 .
C13 P3 P2 96.02(6) . .
C13 P3 P2 96.02(6) . 4_575
P2 P3 P2 59.14(2) . 4_575
Cl1 Ga1 Cl2 111.835(17) . .
Cl1 Ga1 Cl2 111.835(17) . 4_575
Cl2 Ga1 Cl2 110.72(3) . 4_575
Cl1 Ga1 P1 112.85(2) . .
Cl2 Ga1 P1 104.575(15) . .
Cl2 Ga1 P1 104.574(15) 4_575 .
C2 C1 C2 120.61(17) 4_575 .
C2 C1 P1 117.91(9) 4_575 .
C2 C1 P1 117.91(9) . .
C3 C2 C1 116.58(15) . .
C3 C2 C5 117.20(14) . .
C1 C2 C5 126.02(13) . .
C4 C3 C2 123.10(16) . .
C4 C3 H3 118.4 . .
C2 C3 H3 118.4 . .
C3 C4 C3 117.05(19) 4_575 .
C3 C4 C9 121.47(10) 4_575 .
C3 C4 C9 121.47(10) . .
C7 C5 C6 108.68(16) . .
C7 C5 C2 112.02(13) . .
C6 C5 C2 114.94(13) . .
C7 C5 C8 108.80(16) . .
C6 C5 C8 105.76(14) . .
C2 C5 C8 106.29(15) . .
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 C10 53.9(6) . 4_575
C10 C9 C11 134.8(4) . 4_575
C10 C9 C11 122.6(5) 4_575 4_575
C10 C9 C11 122.6(5) . .
C10 C9 C11 134.8(4) 4_575 .
C11 C9 C11 21.2(12) 4_575 .
C10 C9 C4 111.0(2) . .
C10 C9 C4 111.0(2) 4_575 .
C11 C9 C4 110.7(3) 4_575 .
C11 C9 C4 110.7(3) . .
C10 C9 C12 103.1(4) . .
C10 C9 C12 51.1(3) 4_575 .
C11 C9 C12 79.3(6) 4_575 .
C11 C9 C12 99.3(6) . .
C4 C9 C12 108.25(15) . .
C10 C9 C12 51.1(3) . 4_575
C10 C9 C12 103.1(4) 4_575 4_575
C11 C9 C12 99.3(6) 4_575 4_575
C11 C9 C12 79.3(6) . 4_575
C4 C9 C12 108.25(15) . 4_575
C12 C9 C12 141.3(3) . 4_575
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 . .
C14 C13 C14 119.19(17) . 4_575
C14 C13 P3 119.72(9) . .
C14 C13 P3 119.72(8) 4_575 .
C15 C14 C13 117.58(14) . .
C15 C14 C17 115.63(13) . .
C13 C14 C17 126.63(13) . .
C16 C15 C14 122.88(15) . .
C16 C15 H15 118.6 . .
C14 C15 H15 118.6 . .
C15 C16 C15 117.18(19) 4_575 .
C15 C16 C21 121.39(9) 4_575 .
C15 C16 C21 121.39(9) . .
C20 C17 C18 110.11(14) . .
C20 C17 C19 107.59(14) . .
C18 C17 C19 104.84(14) . .
C20 C17 C14 111.80(13) . .
C18 C17 C14 114.44(13) . .
C19 C17 C14 107.57(13) . .
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 . .
C24 C21 C24 131.7(4) 4_575 .
C24 C21 C16 113.93(17) 4_575 .
C24 C21 C16 113.93(17) . .
C24 C21 C23 46.2(3) 4_575 .
C24 C21 C23 111.0(4) . .
C16 C21 C23 108.1(2) . .
C24 C21 C23 111.0(4) 4_575 4_575
C24 C21 C23 46.2(3) . 4_575
C16 C21 C23 108.1(2) . 4_575
C23 C21 C23 70.3(5) . 4_575
C24 C21 C22 61.8(3) 4_575 .
C24 C21 C22 107.9(3) . .
C16 C21 C22 108.5(2) . .
C23 C21 C22 107.2(3) . .
C23 C21 C22 142.0(3) 4_575 .
C24 C21 C22 107.9(3) 4_575 4_575
C24 C21 C22 61.8(3) . 4_575
C16 C21 C22 108.5(2) . 4_575
C23 C21 C22 142.0(3) . 4_575
C23 C21 C22 107.2(3) 4_575 4_575
C22 C21 C22 50.6(4) . 4_575
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 . .
C30A C25A C26A 121.6(5) . .
C30A C25A C31A 118.2(5) . .
C26A C25A C31A 120.1(5) . .
C27A C26A C25A 121.3(5) . .
C27A C26A H26A 119.4 . .
C25A C26A H26A 119.4 . .
C26A C27A C28A 118.3(4) . .
C26A C27A H27A 120.9 . .
C28A C27A H27A 120.9 . .
C29A C28A C27A 119.9(5) . .
C29A C28A H28A 120.0 . .
C27A C28A H28A 120.0 . .
C28A C29A C30A 119.1(5) . .
C28A C29A H29A 120.4 . .
C30A C29A H29A 120.4 . .
C25A C30A C29A 119.8(5) . .
C25A C30A H30A 120.1 . .
C29A C30A H30A 120.1 . .
C30B C25B C26B 121.6(12) . .
C30B C25B C31B 117.7(13) . .
C26B C25B C31B 120.7(13) . .
C25B C26B C27B 121.2(12) . .
C25B C26B H26B 119.4 . .
C27B C26B H26B 119.4 . .
C26B C27B C28B 118.4(12) . .
C26B C27B H27B 120.8 . .
C28B C27B H27B 120.8 . .
C29B C28B C27B 119.8(12) . .
C29B C28B H28B 120.1 . .
C27B C28B H28B 120.1 . .
C28B C29B C30B 119.2(12) . .
C28B C29B H29B 120.4 . .
C30B C29B H29B 120.4 . .
C25B C30B C29B 119.8(12) . .
C25B C30B H30B 120.1 . .
C29B C30B H30B 120.1 . .
C25B C31B H31D 109.5 . .
C25B C31B H31E 109.5 . .
H31D C31B H31E 109.5 . .
C25B C31B H31F 109.5 . .
H31D C31B H31F 109.5 . .
H31E C31B H31F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C1 1.8232(18) .
P1 P2 2.1854(5) .
P1 P2 2.1854(5) 4_575
P1 Ga1 2.3966(5) .
P2 P2 2.2074(8) 4_575
P2 P3 2.2365(6) .
P3 C13 1.8637(18) .
P3 P2 2.2365(6) 4_575
Ga1 Cl1 2.1550(5) .
Ga1 Cl2 2.1560(5) .
Ga1 Cl2 2.1560(5) 4_575
C1 C2 1.4142(17) 4_575
C1 C2 1.4141(17) .
C2 C3 1.397(2) .
C2 C5 1.538(2) .
C3 C4 1.382(2) .
C3 H3 0.9500 .
C4 C3 1.382(2) 4_575
C4 C9 1.536(3) .
C5 C7 1.529(3) .
C5 C6 1.532(2) .
C5 C8 1.547(2) .
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 1.424(5) .
C9 C10 1.424(5) 4_575
C9 C11 1.442(5) 4_575
C9 C11 1.442(5) .
C9 C12 1.708(5) .
C9 C12 1.708(5) 4_575
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 C14 1.4196(17) .
C13 C14 1.4196(17) 4_575
C14 C15 1.3998(19) .
C14 C17 1.552(2) .
C15 C16 1.3831(19) .
C15 H15 0.9500 .
C16 C15 1.3831(19) 4_575
C16 C21 1.532(3) .
C17 C20 1.533(3) .
C17 C18 1.537(2) .
C17 C19 1.550(2) .
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 C24 1.467(5) 4_575
C21 C24 1.467(5) .
C21 C23 1.534(5) .
C21 C23 1.534(5) 4_575
C21 C22 1.549(5) .
C21 C22 1.549(5) 4_575
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 .
C25A C30A 1.336(7) .
C25A C26A 1.342(6) .
C25A C31A 1.541(8) .
C26A C27A 1.336(6) .
C26A H26A 0.9500 .
C27A C28A 1.411(7) .
C27A H27A 0.9500 .
C28A C29A 1.362(7) .
C28A H28A 0.9500 .
C29A C30A 1.376(7) .
C29A H29A 0.9500 .
C30A H30A 0.9500 .
C31A H31A 0.9800 .
C31A H31B 0.9800 .
C31A H31C 0.9800 .
C25B C30B 1.337(10) .
C25B C26B 1.339(10) .
C25B C31B 1.543(11) .
C26B C27B 1.339(10) .
C26B H26B 0.9500 .
C27B C28B 1.410(10) .
C27B H27B 0.9500 .
C28B C29B 1.361(10) .
C28B H28B 0.9500 .
C29B C30B 1.376(11) .
C29B H29B 0.9500 .
C30B H30B 0.9500 .
C31B H31D 0.9800 .
C31B H31E 0.9800 .
C31B H31F 0.9800 .
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_4
C1 P1 P2 P2 -103.91(4) . 4_575
Ga1 P1 P2 P2 99.169(14) . 4_575
C1 P1 P2 P3 -45.51(4) . .
P2 P1 P2 P3 58.400(17) 4_575 .
Ga1 P1 P2 P3 157.569(14) . .
P1 P2 P3 C13 -151.12(3) . .
P2 P2 P3 C13 -93.43(3) 4_575 .
P1 P2 P3 P2 -57.696(16) . 4_575
C1 P1 Ga1 Cl1 0.0 . .
P2 P1 Ga1 Cl1 148.438(13) . .
P2 P1 Ga1 Cl1 -148.438(13) 4_575 .
C1 P1 Ga1 Cl2 -121.778(18) . .
P2 P1 Ga1 Cl2 26.66(2) . .
P2 P1 Ga1 Cl2 89.78(2) 4_575 .
C1 P1 Ga1 Cl2 121.778(18) . 4_575
P2 P1 Ga1 Cl2 -89.78(2) . 4_575
P2 P1 Ga1 Cl2 -26.66(2) 4_575 4_575
P2 P1 C1 C2 112.53(12) . 4_575
P2 P1 C1 C2 46.34(14) 4_575 4_575
Ga1 P1 C1 C2 -100.57(13) . 4_575
P2 P1 C1 C2 -46.34(14) . .
P2 P1 C1 C2 -112.53(12) 4_575 .
Ga1 P1 C1 C2 100.57(13) . .
C2 C1 C2 C3 -16.8(3) 4_575 .
P1 C1 C2 C3 141.49(12) . .
C2 C1 C2 C5 157.93(12) 4_575 .
P1 C1 C2 C5 -43.8(2) . .
C1 C2 C3 C4 2.9(2) . .
C5 C2 C3 C4 -172.32(16) . .
C2 C3 C4 C3 10.3(3) . 4_575
C2 C3 C4 C9 -170.78(18) . .
C3 C2 C5 C7 -63.69(19) . .
C1 C2 C5 C7 121.62(18) . .
C3 C2 C5 C6 171.63(14) . .
C1 C2 C5 C6 -3.1(2) . .
C3 C2 C5 C8 55.02(19) . .
C1 C2 C5 C8 -119.67(17) . .
C3 C4 C9 C10 -119.6(4) 4_575 .
C3 C4 C9 C10 61.5(4) . .
C3 C4 C9 C10 -61.5(4) 4_575 4_575
C3 C4 C9 C10 119.6(4) . 4_575
C3 C4 C9 C11 78.1(7) 4_575 4_575
C3 C4 C9 C11 -100.8(6) . 4_575
C3 C4 C9 C11 100.8(6) 4_575 .
C3 C4 C9 C11 -78.1(7) . .
C3 C4 C9 C12 -7.1(3) 4_575 .
C3 C4 C9 C12 174.0(2) . .
C3 C4 C9 C12 -174.0(2) 4_575 4_575
C3 C4 C9 C12 7.1(3) . 4_575
P2 P3 C13 C14 -53.52(15) . .
P2 P3 C13 C14 -113.03(14) 4_575 .
P2 P3 C13 C14 113.03(14) . 4_575
P2 P3 C13 C14 53.52(15) 4_575 4_575
C14 C13 C14 C15 -16.2(3) 4_575 .
P3 C13 C14 C15 150.39(13) . .
C14 C13 C14 C17 158.92(12) 4_575 .
P3 C13 C14 C17 -34.5(2) . .
C13 C14 C15 C16 3.3(3) . .
C17 C14 C15 C16 -172.35(17) . .
C14 C15 C16 C15 9.2(3) . 4_575
C14 C15 C16 C21 -172.94(18) . .
C15 C14 C17 C20 -65.86(18) . .
C13 C14 C17 C20 118.90(18) . .
C15 C14 C17 C18 168.09(14) . .
C13 C14 C17 C18 -7.1(2) . .
C15 C14 C17 C19 52.05(18) . .
C13 C14 C17 C19 -123.18(18) . .
C15 C16 C21 C24 -177.7(4) 4_575 4_575
C15 C16 C21 C24 4.6(4) . 4_575
C15 C16 C21 C24 -4.6(4) 4_575 .
C15 C16 C21 C24 177.7(4) . .
C15 C16 C21 C23 -128.4(3) 4_575 .
C15 C16 C21 C23 53.9(4) . .
C15 C16 C21 C23 -53.9(4) 4_575 4_575
C15 C16 C21 C23 128.4(3) . 4_575
C15 C16 C21 C22 115.6(3) 4_575 .
C15 C16 C21 C22 -62.1(3) . .
C15 C16 C21 C22 62.1(3) 4_575 4_575
C15 C16 C21 C22 -115.6(3) . 4_575
C30A C25A C26A C27A 0.0 . .
C31A C25A C26A C27A 180.000(1) . .
C25A C26A C27A C28A 0.000(1) . .
C26A C27A C28A C29A 0.000(1) . .
C27A C28A C29A C30A 0.0 . .
C26A C25A C30A C29A 0.000(1) . .
C31A C25A C30A C29A 180.000(2) . .
C28A C29A C30A C25A 0.0 . .
C30B C25B C26B C27B 0.000(3) . .
C31B C25B C26B C27B 180.000(3) . .
C25B C26B C27B C28B 0.000(4) . .
C26B C27B C28B C29B 0.000(4) . .
C27B C28B C29B C30B 0.0 . .
C26B C25B C30B C29B 0.000(3) . .
C31B C25B C30B C29B 180.000(5) . .
C28B C29B C30B C25B 0.000(2) . .
