#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:09:42 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179679 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/01/7000174.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_7000174
loop_
_publ_author_name
'Minasian, Stefan G.'
'Arnold, John'
_publ_section_title
;
 Aluminium, zinc, gallium, and cadmium complexes supported by a
 monoanionic [N2P2] ligand
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              106
_journal_page_last               110
_journal_paper_doi               10.1039/b815854a
_journal_year                    2009
_chemical_formula_moiety         'C22 H51 Cl2 Ga N2 P2 Si'
_chemical_formula_sum            'C22 H51 Cl2 Ga N2 P2 Si'
_chemical_formula_weight         574.30
_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                109.305(2)
_cell_angle_beta                 91.043(2)
_cell_angle_gamma                96.357(2)
_cell_formula_units_Z            2
_cell_length_a                   7.9503(7)
_cell_length_b                   13.2103(12)
_cell_length_c                   15.7869(15)
_cell_measurement_reflns_used    8274
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      33.70
_cell_measurement_theta_min      2.99
_cell_volume                     1552.5(2)
_computing_cell_refinement       'Bruker SAINT v7.23a'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  syncrotron
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_source         'Beamline 11.3.1 ALS'
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27092
_diffrn_reflns_theta_full        33.71
_diffrn_reflns_theta_max         33.71
_diffrn_reflns_theta_min         2.82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.306
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         9477
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0692P)²+0.2144P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1178
_reflns_number_gt                8748
_reflns_number_total             9477
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815854a.txt
_cod_data_source_block           sgm3131
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000174
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
Ga1 Ga 0.066089(18) 0.300084(12) 0.160639(10) 0.02584(6) Uani 1 1 d . . .
Cl1 Cl -0.04923(5) 0.45235(3) 0.18793(3) 0.03476(9) Uani 1 1 d . . .
Cl2 Cl -0.14081(5) 0.18231(4) 0.06952(3) 0.04514(11) Uani 1 1 d . . .
P1 P 0.58598(6) 0.73011(3) 0.29696(3) 0.03863(10) Uani 1 1 d . . .
P2 P 0.26846(5) 0.28449(3) 0.04796(2) 0.02713(8) Uani 1 1 d . . .
Si1 Si 0.26146(5) 0.37180(4) 0.33073(3) 0.03134(10) Uani 1 1 d . . .
N1 N 0.35389(15) 0.41866(10) 0.24903(8) 0.0279(2) Uani 1 1 d . . .
N2 N 0.12039(16) 0.26658(11) 0.26395(9) 0.0306(2) Uani 1 1 d . . .
C1 C -0.1702(3) 0.2181(2) 0.30377(19) 0.0613(6) Uani 1 1 d . . .
H1A H -0.1679 0.2914 0.3468 0.092 Uiso 1 1 calc R . .
H1B H -0.2401 0.1670 0.3256 0.092 Uiso 1 1 calc R . .
H1C H -0.2183 0.2153 0.2453 0.092 Uiso 1 1 calc R . .
C2 C 0.0118(3) 0.07335(16) 0.22692(16) 0.0544(5) Uani 1 1 d . . .
H2A H 0.1286 0.0557 0.2216 0.082 Uiso 1 1 calc R . .
H2B H -0.0352 0.0696 0.1680 0.082 Uiso 1 1 calc R . .
H2C H -0.0571 0.0215 0.2484 0.082 Uiso 1 1 calc R . .
C3 C 0.0764(4) 0.1865(2) 0.38480(16) 0.0632(6) Uani 1 1 d . . .
H3A H 0.1922 0.1671 0.3803 0.095 Uiso 1 1 calc R . .
H3B H 0.0030 0.1333 0.4027 0.095 Uiso 1 1 calc R . .
H3C H 0.0763 0.2583 0.4299 0.095 Uiso 1 1 calc R . .
C4 C 0.0105(2) 0.18766(16) 0.29368(13) 0.0418(4) Uani 1 1 d . . .
C5 C 0.4312(3) 0.3361(2) 0.39510(14) 0.0524(5) Uani 1 1 d . . .
H5A H 0.4529 0.3918 0.4545 0.079 Uiso 1 1 calc R . .
H5B H 0.5352 0.3315 0.3624 0.079 Uiso 1 1 calc R . .
H5C H 0.3945 0.2661 0.4022 0.079 Uiso 1 1 calc R . .
C6 C 0.1641(3) 0.48276(17) 0.41251(13) 0.0494(4) Uani 1 1 d . . .
H6A H 0.0703 0.5020 0.3821 0.059 Uiso 1 1 calc R . .
H6B H 0.2495 0.5460 0.4372 0.059 Uiso 1 1 calc R . .
H6C H 0.1210 0.4588 0.4614 0.059 Uiso 1 1 calc R . .
C7 C 0.3760(2) 0.53305(12) 0.25737(11) 0.0322(3) Uani 1 1 d . . .
H7A H 0.2746 0.5655 0.2840 0.039 Uiso 1 1 calc R . .
H7B H 0.3819 0.5384 0.1964 0.039 Uiso 1 1 calc R . .
C8 C 0.5330(2) 0.59944(12) 0.31429(11) 0.0345(3) Uani 1 1 d . . .
H8A H 0.6305 0.5574 0.2991 0.041 Uiso 1 1 calc R . .
H8B H 0.5134 0.6125 0.3786 0.041 Uiso 1 1 calc R . .
C9 C 0.48483(17) 0.35675(12) 0.20042(10) 0.0283(3) Uani 1 1 d . . .
H9A H 0.4708 0.2842 0.2066 0.034 Uiso 1 1 calc R . .
H9B H 0.5977 0.3935 0.2280 0.034 Uiso 1 1 calc R . .
C10 C 0.47794(18) 0.34410(12) 0.10050(10) 0.0300(3) Uani 1 1 d . . .
H10A H 0.5634 0.2975 0.0700 0.036 Uiso 1 1 calc R . .
H10B H 0.5059 0.4158 0.0936 0.036 Uiso 1 1 calc R . .
C11 C 0.4019(4) 0.80137(19) 0.34830(17) 0.0610(6) Uani 1 1 d . . .
H11A H 0.3004 0.7484 0.3194 0.073 Uiso 1 1 calc R . .
C12 C 0.3845(3) 0.8230(2) 0.44626(19) 0.0681(7) Uani 1 1 d . . .
H12A H 0.2842 0.8598 0.4650 0.102 Uiso 1 1 calc R . .
H12B H 0.4857 0.8690 0.4799 0.102 Uiso 1 1 calc R . .
H12C H 0.3724 0.7545 0.4583 0.102 Uiso 1 1 calc R . .
C13 C 0.3769(6) 0.8976(3) 0.3230(3) 0.1087(14) Uani 1 1 d . . .
H13A H 0.2786 0.9297 0.3523 0.163 Uiso 1 1 calc R . .
H13B H 0.3572 0.8759 0.2576 0.163 Uiso 1 1 calc R . .
H13C H 0.4782 0.9508 0.3423 0.163 Uiso 1 1 calc R . .
C14 C 0.7630(2) 0.78920(14) 0.38340(12) 0.0410(4) Uani 1 1 d . . .
H14A H 0.7203 0.7908 0.4430 0.049 Uiso 1 1 calc R . .
C15 C 0.8254(5) 0.9043(2) 0.3891(2) 0.0857(10) Uani 1 1 d . . .
H15A H 0.9188 0.9338 0.4352 0.129 Uiso 1 1 calc R . .
H15B H 0.7324 0.9488 0.4051 0.129 Uiso 1 1 calc R . .
H15C H 0.8654 0.9045 0.3308 0.129 Uiso 1 1 calc R . .
C16 C 0.9069(3) 0.7204(2) 0.36371(18) 0.0637(6) Uani 1 1 d . . .
H16A H 0.9992 0.7529 0.4100 0.096 Uiso 1 1 calc R . .
H16B H 0.9485 0.7162 0.3047 0.096 Uiso 1 1 calc R . .
H16C H 0.8663 0.6476 0.3636 0.096 Uiso 1 1 calc R . .
C17 C 0.2266(2) 0.34710(16) -0.03704(11) 0.0405(4) Uani 1 1 d . . .
H17A H 0.3178 0.3320 -0.0807 0.049 Uiso 1 1 calc R . .
C18 C 0.0572(3) 0.2967(2) -0.08914(15) 0.0559(5) Uani 1 1 d . . .
H18A H 0.0372 0.3311 -0.1341 0.084 Uiso 1 1 calc R . .
H18B H -0.0342 0.3076 -0.0474 0.084 Uiso 1 1 calc R . .
H18C H 0.0599 0.2191 -0.1193 0.084 Uiso 1 1 calc R . .
C19 C 0.2332(3) 0.46941(17) 0.00468(14) 0.0458(4) Uani 1 1 d . . .
H19A H 0.2104 0.5001 -0.0424 0.069 Uiso 1 1 calc R . .
H19B H 0.3459 0.5002 0.0338 0.069 Uiso 1 1 calc R . .
H19C H 0.1475 0.4866 0.0494 0.069 Uiso 1 1 calc R . .
C20 C 0.2808(2) 0.14088(14) -0.01069(11) 0.0377(3) Uani 1 1 d . . .
H20A H 0.1633 0.1055 -0.0334 0.045 Uiso 1 1 calc R . .
C21 C 0.3905(3) 0.11952(19) -0.09093(13) 0.0541(5) Uani 1 1 d . . .
H21A H 0.3918 0.0415 -0.1190 0.081 Uiso 1 1 calc R . .
H21D H 0.5064 0.1545 -0.0709 0.081 Uiso 1 1 calc R . .
H21B H 0.3442 0.1488 -0.1347 0.081 Uiso 1 1 calc R . .
C22 C 0.3421(2) 0.09045(13) 0.05691(13) 0.0417(4) Uani 1 1 d . . .
H22D H 0.3490 0.0134 0.0261 0.063 Uiso 1 1 calc R . .
H22A H 0.2622 0.0988 0.1046 0.063 Uiso 1 1 calc R . .
H22B H 0.4544 0.1268 0.0833 0.063 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0020 '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'
N N -0.0031 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0833 0.0850 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1013 0.1134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1408 0.1896 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.1009 1.8770 '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
N2 Ga1 Cl1 114.38(4) . . ?
N2 Ga1 Cl2 113.47(4) . . ?
Cl1 Ga1 Cl2 99.987(18) . . ?
N2 Ga1 P2 119.40(4) . . ?
Cl1 Ga1 P2 110.560(15) . . ?
Cl2 Ga1 P2 95.879(18) . . ?
N2 Ga1 Si1 34.59(4) . . ?
Cl1 Ga1 Si1 94.464(15) . . ?
Cl2 Ga1 Si1 147.687(17) . . ?
P2 Ga1 Si1 105.883(15) . . ?
C8 P1 C14 99.28(8) . . ?
C8 P1 C11 100.53(11) . . ?
C14 P1 C11 104.26(10) . . ?
C10 P2 C20 106.93(7) . . ?
C10 P2 C17 106.89(8) . . ?
C20 P2 C17 107.84(9) . . ?
C10 P2 Ga1 109.99(5) . . ?
C20 P2 Ga1 108.47(6) . . ?
C17 P2 Ga1 116.32(6) . . ?
N2 Si1 N1 100.07(6) . . ?
N2 Si1 C6 115.09(9) . . ?
N1 Si1 C6 109.22(9) . . ?
N2 Si1 C5 116.52(9) . . ?
N1 Si1 C5 108.92(8) . . ?
C6 Si1 C5 106.63(11) . . ?
N2 Si1 Ga1 38.47(4) . . ?
N1 Si1 Ga1 65.87(4) . . ?
C6 Si1 Ga1 109.33(7) . . ?
C5 Si1 Ga1 143.21(8) . . ?
C7 N1 C9 114.64(12) . . ?
C7 N1 Si1 122.69(10) . . ?
C9 N1 Si1 115.16(10) . . ?
C4 N2 Si1 126.47(11) . . ?
C4 N2 Ga1 122.71(11) . . ?
Si1 N2 Ga1 106.94(7) . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N2 C4 C3 110.89(16) . . ?
N2 C4 C2 110.06(15) . . ?
C3 C4 C2 106.84(18) . . ?
N2 C4 C1 110.35(16) . . ?
C3 C4 C1 107.66(19) . . ?
C2 C4 C1 110.96(19) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 C8 115.02(13) . . ?
N1 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C7 C8 P1 112.62(11) . . ?
C7 C8 H8A 109.1 . . ?
P1 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
P1 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
N1 C9 C10 112.71(12) . . ?
N1 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C9 C10 P2 110.85(10) . . ?
C9 C10 H10A 109.5 . . ?
P2 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
P2 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C13 C11 C12 111.5(3) . . ?
C13 C11 P1 114.7(3) . . ?
C12 C11 P1 117.00(18) . . ?
C13 C11 H11A 103.9 . . ?
C12 C11 H11A 103.9 . . ?
P1 C11 H11A 103.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C16 C14 C15 110.4(2) . . ?
C16 C14 P1 110.66(13) . . ?
C15 C14 P1 110.92(17) . . ?
C16 C14 H14A 108.3 . . ?
C15 C14 H14A 108.3 . . ?
P1 C14 H14A 108.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C18 111.19(16) . . ?
C19 C17 P2 111.63(12) . . ?
C18 C17 P2 110.70(14) . . ?
C19 C17 H17A 107.7 . . ?
C18 C17 H17A 107.7 . . ?
P2 C17 H17A 107.7 . . ?
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 . . ?
C21 C20 C22 111.31(15) . . ?
C21 C20 P2 113.69(14) . . ?
C22 C20 P2 108.84(11) . . ?
C21 C20 H20A 107.6 . . ?
C22 C20 H20A 107.6 . . ?
P2 C20 H20A 107.6 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21D 109.5 . . ?
H21A C21 H21D 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21D C21 H21B 109.5 . . ?
C20 C22 H22D 109.5 . . ?
C20 C22 H22A 109.5 . . ?
H22D C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22D C22 H22B 109.5 . . ?
H22A C22 H22B 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
Ga1 N2 1.8805(13) . ?
Ga1 Cl1 2.2185(4) . ?
Ga1 Cl2 2.2501(4) . ?
Ga1 P2 2.3938(4) . ?
Ga1 Si1 2.8916(5) . ?
P1 C8 1.8404(16) . ?
P1 C14 1.8533(18) . ?
P1 C11 1.879(3) . ?
P2 C10 1.8191(15) . ?
P2 C20 1.8301(17) . ?
P2 C17 1.8368(17) . ?
Si1 N2 1.7159(14) . ?
Si1 N1 1.7459(13) . ?
Si1 C6 1.8576(19) . ?
Si1 C5 1.8668(19) . ?
N1 C7 1.4630(19) . ?
N1 C9 1.4643(18) . ?
N2 C4 1.486(2) . ?
C1 C4 1.531(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C4 1.531(3) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.527(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.526(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.530(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C13 1.485(4) . ?
C11 C12 1.489(4) . ?
C11 H11A 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C16 1.513(3) . ?
C14 C15 1.519(3) . ?
C14 H14A 1.0000 . ?
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 C19 1.524(3) . ?
C17 C18 1.527(3) . ?
C17 H17A 1.0000 . ?
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 C21 1.518(3) . ?
C20 C22 1.531(3) . ?
C20 H20A 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21D 0.9800 . ?
C21 H21B 0.9800 . ?
C22 H22D 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ga1 P2 C10 -44.95(7) . . . . ?
Cl1 Ga1 P2 C10 90.88(5) . . . . ?
Cl2 Ga1 P2 C10 -166.12(5) . . . . ?
Si1 Ga1 P2 C10 -10.25(6) . . . . ?
N2 Ga1 P2 C20 71.67(7) . . . . ?
Cl1 Ga1 P2 C20 -152.49(6) . . . . ?
Cl2 Ga1 P2 C20 -49.50(6) . . . . ?
Si1 Ga1 P2 C20 106.37(6) . . . . ?
N2 Ga1 P2 C17 -166.62(9) . . . . ?
Cl1 Ga1 P2 C17 -30.78(8) . . . . ?
Cl2 Ga1 P2 C17 72.21(8) . . . . ?
Si1 Ga1 P2 C17 -131.92(7) . . . . ?
Cl1 Ga1 Si1 N2 128.04(8) . . . . ?
Cl2 Ga1 Si1 N2 11.37(8) . . . . ?
P2 Ga1 Si1 N2 -119.10(7) . . . . ?
N2 Ga1 Si1 N1 150.67(9) . . . . ?
Cl1 Ga1 Si1 N1 -81.29(5) . . . . ?
Cl2 Ga1 Si1 N1 162.04(5) . . . . ?
P2 Ga1 Si1 N1 31.57(5) . . . . ?
N2 Ga1 Si1 C6 -106.32(11) . . . . ?
Cl1 Ga1 Si1 C6 21.72(8) . . . . ?
Cl2 Ga1 Si1 C6 -94.95(8) . . . . ?
P2 Ga1 Si1 C6 134.58(8) . . . . ?
N2 Ga1 Si1 C5 61.02(14) . . . . ?
Cl1 Ga1 Si1 C5 -170.94(12) . . . . ?
Cl2 Ga1 Si1 C5 72.39(13) . . . . ?
P2 Ga1 Si1 C5 -58.08(12) . . . . ?
N2 Si1 N1 C7 131.98(12) . . . . ?
C6 Si1 N1 C7 10.78(14) . . . . ?
C5 Si1 N1 C7 -105.32(14) . . . . ?
Ga1 Si1 N1 C7 113.95(12) . . . . ?
N2 Si1 N1 C9 -79.96(11) . . . . ?
C6 Si1 N1 C9 158.84(11) . . . . ?
C5 Si1 N1 C9 42.74(13) . . . . ?
Ga1 Si1 N1 C9 -97.99(10) . . . . ?
N1 Si1 N2 C4 174.92(14) . . . . ?
C6 Si1 N2 C4 -68.19(17) . . . . ?
C5 Si1 N2 C4 57.75(17) . . . . ?
Ga1 Si1 N2 C4 -158.08(18) . . . . ?
N1 Si1 N2 Ga1 -27.00(8) . . . . ?
C6 Si1 N2 Ga1 89.90(10) . . . . ?
C5 Si1 N2 Ga1 -144.16(9) . . . . ?
Cl1 Ga1 N2 C4 99.55(13) . . . . ?
Cl2 Ga1 N2 C4 -14.30(14) . . . . ?
P2 Ga1 N2 C4 -126.19(12) . . . . ?
Si1 Ga1 N2 C4 159.10(18) . . . . ?
Cl1 Ga1 N2 Si1 -59.55(7) . . . . ?
Cl2 Ga1 N2 Si1 -173.40(5) . . . . ?
P2 Ga1 N2 Si1 74.71(7) . . . . ?
Si1 N2 C4 C3 -18.8(2) . . . . ?
Ga1 N2 C4 C3 -173.64(15) . . . . ?
Si1 N2 C4 C2 -136.75(15) . . . . ?
Ga1 N2 C4 C2 68.36(19) . . . . ?
Si1 N2 C4 C1 100.45(19) . . . . ?
Ga1 N2 C4 C1 -54.4(2) . . . . ?
C9 N1 C7 C8 -65.48(17) . . . . ?
Si1 N1 C7 C8 82.74(16) . . . . ?
N1 C7 C8 P1 164.07(11) . . . . ?
C14 P1 C8 C7 174.59(12) . . . . ?
C11 P1 C8 C7 68.08(14) . . . . ?
C7 N1 C9 C10 -67.99(15) . . . . ?
Si1 N1 C9 C10 141.34(10) . . . . ?
N1 C9 C10 P2 -55.19(14) . . . . ?
C20 P2 C10 C9 -99.98(12) . . . . ?
C17 P2 C10 C9 144.74(11) . . . . ?
Ga1 P2 C10 C9 17.60(12) . . . . ?
C8 P1 C11 C13 -163.1(3) . . . . ?
C14 P1 C11 C13 94.4(3) . . . . ?
C8 P1 C11 C12 63.5(2) . . . . ?
C14 P1 C11 C12 -39.0(2) . . . . ?
C8 P1 C14 C16 61.34(17) . . . . ?
C11 P1 C14 C16 164.79(17) . . . . ?
C8 P1 C14 C15 -175.8(2) . . . . ?
C11 P1 C14 C15 -72.3(2) . . . . ?
C10 P2 C17 C19 -59.15(14) . . . . ?
C20 P2 C17 C19 -173.82(13) . . . . ?
Ga1 P2 C17 C19 64.14(14) . . . . ?
C10 P2 C17 C18 176.41(14) . . . . ?
C20 P2 C17 C18 61.74(16) . . . . ?
Ga1 P2 C17 C18 -60.30(16) . . . . ?
C10 P2 C20 C21 -67.87(15) . . . . ?
C17 P2 C20 C21 46.78(16) . . . . ?
Ga1 P2 C20 C21 173.55(12) . . . . ?
C10 P2 C20 C22 56.82(14) . . . . ?
C17 P2 C20 C22 171.47(12) . . . . ?
Ga1 P2 C20 C22 -61.76(13) . . . . ?
