#------------------------------------------------------------------------------
#$Date: 2017-06-23 03:40:52 +0300 (Fri, 23 Jun 2017) $
#$Revision: 198099 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/03/7120319.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_7120319
loop_
_publ_author_name
'Lemp, Otfried'
'Balmer, Markus'
'Reiter, Kevin'
'Weigend, Florian'
'von Hänisch, Carsten'
_publ_section_title
;
 An NHC--phosphinidenyl as a synthon for new group 13/15 compounds
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC04422D
_journal_year                    2017
_chemical_formula_moiety         'C29 H45 Cl Ga N2 P, 3.5(C6 H6)'
_chemical_formula_sum            'C50 H66 Cl Ga N2 P'
_chemical_formula_weight         831.18
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2016-03-15
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2017-03-10 deposited with the CCDC.
2017-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                105.261(2)
_cell_angle_beta                 101.977(2)
_cell_angle_gamma                98.128(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8193(5)
_cell_length_b                   13.6219(7)
_cell_length_c                   17.1442(8)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      24.742
_cell_measurement_theta_min      2.313
_cell_volume                     2332.5(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      109.99
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            47277
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.709
_diffrn_reflns_theta_min         2.255
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1523 before and 0.0486 after correction. The Ratio of minimum to maximum transmission is 0.8384. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_description       plate
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.576
_exptl_crystal_size_mid          0.335
_exptl_crystal_size_min          0.148
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         10893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0260P)²+1.3020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0795
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8697
_reflns_number_total             10893
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc04422d2.cif
_cod_data_source_block           ol378_0m
_cod_database_code               7120319
_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_estimated_absorpt_t_max   0.902
_shelx_estimated_absorpt_t_min   0.683
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(H1B)=1-FVAR(1)
 Sof(H1A)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C15(H15), C17(H17), C46(H46), C44(H44), C31(H31), C45(H45),
 C47(H47), C32(H32), C42(H42), C43(H43), C40(H40), C41(H41), C33(H33), C34(H34),
  C48(H48), C50(H50), C36(H36), C30(H30), C39(H39), C49(H49), C37(H37),
 C35(H35), C38(H38)
3.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C10(H10A,H10B,H10C), C28(H28A,H28B,H28C), C20(H20A,H20B,
 H20C), C11(H11A,H11B,H11C), C21(H21A,H21B,H21C), C12(H12A,H12B,H12C), C29(H29A,
 H29B,H29C), C27(H27A,H27B,H27C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.92992(2) 0.66781(2) 0.76258(2) 0.01589(5) Uani 1 1 d . . . .
P1 P 0.69673(4) 0.67249(3) 0.73058(3) 0.01688(10) Uani 1 1 d . . . .
Cl1 Cl 1.04486(4) 0.82738(3) 0.77741(3) 0.02535(10) Uani 1 1 d . . . .
N2 N 0.64080(14) 0.87179(10) 0.77387(9) 0.0176(3) Uani 1 1 d . . . .
N1 N 0.64745(15) 0.81489(11) 0.64332(9) 0.0193(3) Uani 1 1 d . . . .
C1 C 0.66370(15) 0.79314(13) 0.71613(10) 0.0154(3) Uani 1 1 d . . . .
C5 C 0.52845(17) 0.66637(13) 0.52224(11) 0.0181(3) Uani 1 1 d . . . .
C13 C 0.64191(17) 0.88154(13) 0.85947(10) 0.0173(3) Uani 1 1 d . . . .
C4 C 0.63887(17) 0.74564(13) 0.56200(10) 0.0182(3) Uani 1 1 d . . . .
C9 C 0.73492(17) 0.76549(13) 0.52193(11) 0.0199(4) Uani 1 1 d . . . .
C22 C 0.96365(18) 0.64306(15) 0.87485(11) 0.0240(4) Uani 1 1 d . . . .
C14 C 0.74613(17) 0.95001(13) 0.92170(11) 0.0177(3) Uani 1 1 d . . . .
C6 C 0.51971(17) 0.60457(13) 0.44161(11) 0.0206(4) Uani 1 1 d . . . .
H6 H 0.4469 0.5491 0.4143 0.025 Uiso 1 1 calc R . . .
C8 C 0.71997(18) 0.70237(14) 0.44058(11) 0.0218(4) Uani 1 1 d . . . .
H8 H 0.7843 0.7153 0.4123 0.026 Uiso 1 1 calc R . . .
C19 C 0.86177(18) 1.00003(14) 0.89957(11) 0.0240(4) Uani 1 1 d . . . .
H19A H 0.8943 0.9463 0.8640 0.036 Uiso 1 1 calc GR . . .
H19B H 0.9295 1.0373 0.9508 0.036 Uiso 1 1 calc GR . . .
H19C H 0.8367 1.0491 0.8695 0.036 Uiso 1 1 calc GR . . .
C15 C 0.73811(17) 0.97111(13) 1.00421(11) 0.0206(4) Uani 1 1 d . . . .
H15 H 0.8078 1.0175 1.0473 0.025 Uiso 1 1 calc R . . .
C18 C 0.53335(17) 0.83396(13) 0.87829(11) 0.0211(4) Uani 1 1 d . . . .
C26 C 0.95994(17) 0.56864(14) 0.66183(11) 0.0218(4) Uani 1 1 d . . . .
C17 C 0.53123(18) 0.85693(14) 0.96193(12) 0.0235(4) Uani 1 1 d . . . .
H17 H 0.4593 0.8241 0.9761 0.028 Uiso 1 1 calc R . . .
C16 C 0.63158(18) 0.92666(14) 1.02551(11) 0.0221(4) Uani 1 1 d . . . .
C10 C 0.42120(17) 0.64842(14) 0.56400(11) 0.0226(4) Uani 1 1 d . . . .
H10A H 0.4476 0.6128 0.6055 0.034 Uiso 1 1 calc GR . . .
H10B H 0.3434 0.6054 0.5218 0.034 Uiso 1 1 calc GR . . .
H10C H 0.4029 0.7154 0.5918 0.034 Uiso 1 1 calc GR . . .
C2 C 0.6198(2) 0.91972(14) 0.65198(12) 0.0289(4) Uani 1 1 d . . . .
H2A H 0.5441 0.9179 0.6074 0.035 Uiso 1 1 calc R . . .
H2B H 0.6951 0.9687 0.6501 0.035 Uiso 1 1 calc R . . .
C7 C 0.61419(18) 0.62140(14) 0.39978(11) 0.0209(4) Uani 1 1 d . . . .
C28 C 0.9056(2) 0.59656(16) 0.58302(12) 0.0296(4) Uani 1 1 d . . . .
H28A H 0.8124 0.5920 0.5750 0.044 Uiso 1 1 calc GR . . .
H28B H 0.9218 0.5480 0.5346 0.044 Uiso 1 1 calc GR . . .
H28C H 0.9477 0.6676 0.5888 0.044 Uiso 1 1 calc GR . . .
C3 C 0.5920(2) 0.94959(14) 0.73673(11) 0.0266(4) Uani 1 1 d . . . .
H3A H 0.6387 1.0211 0.7702 0.032 Uiso 1 1 calc R . . .
H3B H 0.4984 0.9444 0.7317 0.032 Uiso 1 1 calc R . . .
C20 C 0.6226(2) 0.95489(16) 1.11520(12) 0.0310(5) Uani 1 1 d . . . .
H20A H 0.6468 0.9008 1.1397 0.047 Uiso 1 1 calc GR . . .
H20B H 0.5339 0.9606 1.1169 0.047 Uiso 1 1 calc GR . . .
H20C H 0.6814 1.0216 1.1472 0.047 Uiso 1 1 calc GR . . .
C11 C 0.6023(2) 0.55298(15) 0.31235(12) 0.0278(4) Uani 1 1 d . . . .
H11A H 0.6309 0.4886 0.3152 0.042 Uiso 1 1 calc GR . . .
H11B H 0.6564 0.5897 0.2853 0.042 Uiso 1 1 calc GR . . .
H11C H 0.5120 0.5363 0.2799 0.042 Uiso 1 1 calc GR . . .
C21 C 0.41940(18) 0.76292(15) 0.81089(12) 0.0292(4) Uani 1 1 d . . . .
H21A H 0.3969 0.7945 0.7661 0.044 Uiso 1 1 calc GR . . .
H21B H 0.3455 0.7523 0.8347 0.044 Uiso 1 1 calc GR . . .
H21C H 0.4417 0.6958 0.7881 0.044 Uiso 1 1 calc GR . . .
C12 C 0.85328(19) 0.85076(15) 0.56455(12) 0.0272(4) Uani 1 1 d . . . .
H12A H 0.8309 0.9182 0.5653 0.041 Uiso 1 1 calc GR . . .
H12B H 0.9198 0.8397 0.5340 0.041 Uiso 1 1 calc GR . . .
H12C H 0.8862 0.8499 0.6221 0.041 Uiso 1 1 calc GR . . .
C29 C 0.8929(2) 0.45788(14) 0.65164(13) 0.0338(5) Uani 1 1 d . . . .
H29A H 0.9295 0.4379 0.7010 0.051 Uiso 1 1 calc GR . . .
H29B H 0.9061 0.4101 0.6017 0.051 Uiso 1 1 calc GR . . .
H29C H 0.8003 0.4546 0.6456 0.051 Uiso 1 1 calc GR . . .
C27 C 1.1047(2) 0.57379(19) 0.67261(14) 0.0397(5) Uani 1 1 d . . . .
H27A H 1.1481 0.6451 0.6802 0.060 Uiso 1 1 calc GR . . .
H27B H 1.1190 0.5267 0.6227 0.060 Uiso 1 1 calc GR . . .
H27C H 1.1397 0.5528 0.7218 0.060 Uiso 1 1 calc GR . . .
C46 C 0.2573(2) 0.83156(17) 0.49591(15) 0.0368(5) Uani 1 1 d . . . .
H46 H 0.2499 0.7702 0.4517 0.044 Uiso 1 1 calc R . . .
C44 C 0.2137(2) 0.9156(2) 0.62568(16) 0.0453(6) Uani 1 1 d . . . .
H44 H 0.1766 0.9120 0.6707 0.054 Uiso 1 1 calc R . . .
C31 C 0.8994(2) 0.85689(19) 1.17558(16) 0.0424(6) Uani 1 1 d . . . .
H31 H 0.8902 0.8944 1.1359 0.051 Uiso 1 1 calc R . . .
C45 C 0.2033(2) 0.82645(19) 0.56133(16) 0.0408(6) Uani 1 1 d . . . .
H45 H 0.1588 0.7615 0.5621 0.049 Uiso 1 1 calc R . . .
C25 C 0.9505(3) 0.73575(18) 0.94198(13) 0.0467(6) Uani 1 1 d . . . .
H25A H 1.0116 0.7977 0.9446 0.070 Uiso 1 1 calc GR . . .
H25B H 0.9691 0.7222 0.9962 0.070 Uiso 1 1 calc GR . . .
H25C H 0.8622 0.7473 0.9286 0.070 Uiso 1 1 calc GR . . .
C47 C 0.3219(2) 0.92551(17) 0.49471(14) 0.0367(5) Uani 1 1 d . . . .
H47 H 0.3593 0.9288 0.4497 0.044 Uiso 1 1 calc R . . .
C32 C 0.9694(2) 0.90635(18) 1.25561(16) 0.0412(5) Uani 1 1 d . . . .
H32 H 1.0086 0.9780 1.2714 0.049 Uiso 1 1 calc R . . .
C42 C 0.3325(2) 1.01514(17) 0.55883(15) 0.0393(5) Uani 1 1 d . . . .
H42 H 0.3768 1.0800 0.5579 0.047 Uiso 1 1 calc R . . .
C43 C 0.2783(2) 1.0099(2) 0.62422(16) 0.0461(6) Uani 1 1 d . . . .
H43 H 0.2855 1.0713 0.6683 0.055 Uiso 1 1 calc R . . .
C23 C 1.1002(2) 0.6226(2) 0.89531(16) 0.0535(7) Uani 1 1 d . . . .
H23A H 1.1082 0.5638 0.8506 0.080 Uiso 1 1 calc GR . . .
H23B H 1.1170 0.6061 0.9484 0.080 Uiso 1 1 calc GR . . .
H23C H 1.1629 0.6846 0.9001 0.080 Uiso 1 1 calc GR . . .
C40 C 0.2268(3) 0.76000(17) 0.18061(17) 0.0482(6) Uani 1 1 d . . . .
H40 H 0.1397 0.7646 0.1607 0.058 Uiso 1 1 calc R . . .
C41 C 0.2733(2) 0.76371(17) 0.26211(16) 0.0431(6) Uani 1 1 d . . . .
H41 H 0.2180 0.7700 0.2988 0.052 Uiso 1 1 calc R . . .
C33 C 0.9836(3) 0.8536(2) 1.31349(16) 0.0478(6) Uani 1 1 d . . . .
H33 H 1.0314 0.8888 1.3696 0.057 Uiso 1 1 calc R . . .
C24 C 0.8707(3) 0.54683(18) 0.87300(15) 0.0441(6) Uani 1 1 d . . . .
H24A H 0.7819 0.5573 0.8598 0.066 Uiso 1 1 calc GR . . .
H24B H 0.8910 0.5351 0.9278 0.066 Uiso 1 1 calc GR . . .
H24C H 0.8794 0.4862 0.8302 0.066 Uiso 1 1 calc GR . . .
C34 C 0.9286(3) 0.7498(2) 1.2903(2) 0.0559(8) Uani 1 1 d . . . .
H34 H 0.9399 0.7126 1.3301 0.067 Uiso 1 1 calc R . . .
C48 C 0.4470(3) 0.4471(2) 0.04730(18) 0.0517(7) Uani 1 1 d . . . .
H48 H 0.4099 0.4109 0.0800 0.062 Uiso 1 1 calc R . . .
C50 C 0.4255(3) 0.5467(2) -0.04830(18) 0.0516(6) Uani 1 1 d . . . .
H50 H 0.3738 0.5792 -0.0815 0.062 Uiso 1 1 calc R . . .
C36 C 0.3990(3) 0.7583(2) 0.29094(17) 0.0501(6) Uani 1 1 d . . . .
H36 H 0.4307 0.7616 0.3478 0.060 Uiso 1 1 calc R . . .
C30 C 0.8422(3) 0.7540(2) 1.15156(17) 0.0551(7) Uani 1 1 d . . . .
H30 H 0.7925 0.7201 1.0957 0.066 Uiso 1 1 calc R . . .
C39 C 0.3069(4) 0.7497(2) 0.12782(17) 0.0648(9) Uani 1 1 d . . . .
H39 H 0.2752 0.7470 0.0712 0.078 Uiso 1 1 calc R . . .
C49 C 0.3723(3) 0.4939(2) -0.00163(19) 0.0562(7) Uani 1 1 d . . . .
H49 H 0.2835 0.4894 -0.0028 0.067 Uiso 1 1 calc R . . .
C37 C 0.4793(3) 0.74830(19) 0.2390(2) 0.0575(8) Uani 1 1 d . . . .
H37 H 0.5667 0.7450 0.2596 0.069 Uiso 1 1 calc R . . .
C35 C 0.8570(3) 0.6992(2) 1.2094(2) 0.0626(9) Uani 1 1 d . . . .
H35 H 0.8182 0.6274 1.1934 0.075 Uiso 1 1 calc R . . .
C38 C 0.4333(4) 0.7430(2) 0.1569(2) 0.0680(9) Uani 1 1 d . . . .
H38 H 0.4884 0.7349 0.1201 0.082 Uiso 1 1 calc R . . .
H1A H 0.685(2) 0.6935(19) 0.8070(15) 0.026(9) Uiso 0.78(4) 1 d . P A 1
H1B H 0.659(10) 0.603(7) 0.663(6) 0.03(3) Uiso 0.22(4) 1 d . P 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'
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'
N N 0.0061 0.0033 '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'
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
Cl1 Ga1 P1 108.535(18) . .
C22 Ga1 P1 103.38(6) . .
C22 Ga1 Cl1 108.38(6) . .
C22 Ga1 C26 121.88(8) . .
C26 Ga1 P1 107.21(5) . .
C26 Ga1 Cl1 106.90(6) . .
Ga1 P1 H1A 97.3(11) . .
Ga1 P1 H1B 99(5) . .
C1 P1 Ga1 113.82(6) . .
C1 P1 H1A 95.5(11) . .
C1 P1 H1B 109(4) . .
C1 N2 C13 129.19(14) . .
C1 N2 C3 111.63(14) . .
C13 N2 C3 118.65(14) . .
C1 N1 C4 127.79(14) . .
C1 N1 C2 111.47(14) . .
C4 N1 C2 120.25(14) . .
N2 C1 P1 125.91(13) . .
N1 C1 P1 124.72(13) . .
N1 C1 N2 109.15(14) . .
C4 C5 C10 121.85(15) . .
C6 C5 C4 117.69(16) . .
C6 C5 C10 120.45(16) . .
C14 C13 N2 117.79(15) . .
C18 C13 N2 119.63(15) . .
C18 C13 C14 122.06(16) . .
C5 C4 N1 119.11(15) . .
C9 C4 N1 118.76(15) . .
C9 C4 C5 121.85(16) . .
C4 C9 C8 117.98(16) . .
C4 C9 C12 121.84(16) . .
C8 C9 C12 120.18(16) . .
C25 C22 Ga1 111.15(13) . .
C25 C22 C23 110.30(19) . .
C25 C22 C24 108.91(18) . .
C23 C22 Ga1 108.01(14) . .
C24 C22 Ga1 111.03(13) . .
C24 C22 C23 107.36(19) . .
C13 C14 C19 120.88(16) . .
C15 C14 C13 117.71(16) . .
C15 C14 C19 121.40(16) . .
C5 C6 H6 118.9 . .
C7 C6 C5 122.11(16) . .
C7 C6 H6 118.9 . .
C9 C8 H8 119.0 . .
C7 C8 C9 122.08(17) . .
C7 C8 H8 119.0 . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C14 C15 H15 119.0 . .
C16 C15 C14 122.09(17) . .
C16 C15 H15 119.0 . .
C13 C18 C21 121.90(17) . .
C17 C18 C13 117.76(16) . .
C17 C18 C21 120.31(17) . .
C28 C26 Ga1 110.50(12) . .
C28 C26 C29 108.60(15) . .
C28 C26 C27 108.90(17) . .
C29 C26 Ga1 109.79(13) . .
C29 C26 C27 109.29(17) . .
C27 C26 Ga1 109.74(12) . .
C18 C17 H17 119.0 . .
C18 C17 C16 121.91(17) . .
C16 C17 H17 119.0 . .
C15 C16 C17 118.43(17) . .
C15 C16 C20 120.97(17) . .
C17 C16 C20 120.58(17) . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N1 C2 H2A 111.2 . .
N1 C2 H2B 111.2 . .
N1 C2 C3 103.04(14) . .
H2A C2 H2B 109.1 . .
C3 C2 H2A 111.2 . .
C3 C2 H2B 111.2 . .
C6 C7 C11 120.98(16) . .
C8 C7 C6 118.25(16) . .
C8 C7 C11 120.77(16) . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N2 C3 C2 102.40(14) . .
N2 C3 H3A 111.3 . .
N2 C3 H3B 111.3 . .
C2 C3 H3A 111.3 . .
C2 C3 H3B 111.3 . .
H3A C3 H3B 109.2 . .
C16 C20 H20A 109.5 . .
C16 C20 H20B 109.5 . .
C16 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C7 C11 H11A 109.5 . .
C7 C11 H11B 109.5 . .
C7 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
C47 C46 C45 120.0(2) . .
C45 C44 H44 120.2 . .
C45 C44 C43 119.7(2) . .
C43 C44 H44 120.2 . .
C32 C31 H31 119.6 . .
C32 C31 C30 120.8(2) . .
C30 C31 H31 119.6 . .
C46 C45 C44 120.2(2) . .
C46 C45 H45 119.9 . .
C44 C45 H45 119.9 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C46 C47 H47 119.9 . .
C46 C47 C42 120.1(2) . .
C42 C47 H47 119.9 . .
C31 C32 H32 119.8 . .
C31 C32 C33 120.4(2) . .
C33 C32 H32 119.8 . .
C47 C42 H42 120.1 . .
C43 C42 C47 119.7(2) . .
C43 C42 H42 120.1 . .
C44 C43 H43 119.9 . .
C42 C43 C44 120.3(2) . .
C42 C43 H43 119.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C41 C40 H40 120.2 . .
C41 C40 C39 119.5(3) . .
C39 C40 H40 120.2 . .
C40 C41 H41 119.9 . .
C36 C41 C40 120.2(3) . .
C36 C41 H41 119.9 . .
C32 C33 H33 120.1 . .
C32 C33 C34 119.7(3) . .
C34 C33 H33 120.1 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C33 C34 H34 119.9 . .
C33 C34 C35 120.2(2) . .
C35 C34 H34 119.9 . .
C50 C48 H48 120.2 2_665 .
C50 C48 C49 119.5(3) 2_665 .
C49 C48 H48 120.2 . .
C48 C50 H50 120.0 2_665 .
C49 C50 C48 120.1(3) . 2_665
C49 C50 H50 120.0 . .
C41 C36 H36 119.7 . .
C37 C36 C41 120.7(3) . .
C37 C36 H36 119.7 . .
C31 C30 H30 120.3 . .
C31 C30 C35 119.5(3) . .
C35 C30 H30 120.3 . .
C40 C39 H39 119.9 . .
C40 C39 C38 120.1(3) . .
C38 C39 H39 119.9 . .
C48 C49 H49 119.8 . .
C50 C49 C48 120.4(2) . .
C50 C49 H49 119.8 . .
C36 C37 H37 120.2 . .
C36 C37 C38 119.6(3) . .
C38 C37 H37 120.2 . .
C34 C35 C30 119.4(2) . .
C34 C35 H35 120.3 . .
C30 C35 H35 120.3 . .
C39 C38 H38 120.1 . .
C37 C38 C39 119.8(3) . .
C37 C38 H38 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ga1 P1 2.4819(5) .
Ga1 Cl1 2.2692(5) .
Ga1 C22 2.0090(18) .
Ga1 C26 2.0106(17) .
P1 C1 1.7984(17) .
P1 H1A 1.30(2) .
P1 H1B 1.24(10) .
N2 C1 1.344(2) .
N2 C13 1.436(2) .
N2 C3 1.477(2) .
N1 C1 1.340(2) .
N1 C4 1.439(2) .
N1 C2 1.476(2) .
C5 C4 1.403(2) .
C5 C6 1.393(2) .
C5 C10 1.509(2) .
C13 C14 1.400(2) .
C13 C18 1.399(2) .
C4 C9 1.393(2) .
C9 C8 1.395(2) .
C9 C12 1.506(2) .
C22 C25 1.514(3) .
C22 C23 1.529(3) .
C22 C24 1.524(3) .
C14 C19 1.505(2) .
C14 C15 1.391(2) .
C6 H6 0.9500 .
C6 C7 1.391(3) .
C8 H8 0.9500 .
C8 C7 1.386(3) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C15 H15 0.9500 .
C15 C16 1.386(3) .
C18 C17 1.391(3) .
C18 C21 1.508(2) .
C26 C28 1.523(3) .
C26 C29 1.527(3) .
C26 C27 1.527(3) .
C17 H17 0.9500 .
C17 C16 1.393(3) .
C16 C20 1.511(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C2 C3 1.507(3) .
C7 C11 1.511(2) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C46 H46 0.9500 .
C46 C45 1.381(3) .
C46 C47 1.376(3) .
C44 H44 0.9500 .
C44 C45 1.381(4) .
C44 C43 1.382(3) .
C31 H31 0.9500 .
C31 C32 1.359(3) .
C31 C30 1.365(4) .
C45 H45 0.9500 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C47 H47 0.9500 .
C47 C42 1.383(3) .
C32 H32 0.9500 .
C32 C33 1.366(3) .
C42 H42 0.9500 .
C42 C43 1.381(3) .
C43 H43 0.9500 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C40 H40 0.9500 .
C40 C41 1.368(3) .
C40 C39 1.372(4) .
C41 H41 0.9500 .
C41 C36 1.366(4) .
C33 H33 0.9500 .
C33 C34 1.372(4) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C34 H34 0.9500 .
C34 C35 1.378(4) .
C48 H48 0.9500 .
C48 C50 1.366(4) 2_665
C48 C49 1.382(4) .
C50 C48 1.366(4) 2_665
C50 H50 0.9500 .
C50 C49 1.366(4) .
C36 H36 0.9500 .
C36 C37 1.364(4) .
C30 H30 0.9500 .
C30 C35 1.386(4) .
C39 H39 0.9500 .
C39 C38 1.380(5) .
C49 H49 0.9500 .
C37 H37 0.9500 .
C37 C38 1.372(4) .
C35 H35 0.9500 .
C38 H38 0.9500 .
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
Ga1 P1 C1 N2 -98.66(14) .
Ga1 P1 C1 N1 87.24(15) .
N2 C13 C14 C19 -8.4(2) .
N2 C13 C14 C15 170.72(15) .
N2 C13 C18 C17 -171.34(16) .
N2 C13 C18 C21 6.5(3) .
N1 C4 C9 C8 -175.17(15) .
N1 C4 C9 C12 6.0(3) .
N1 C2 C3 N2 14.4(2) .
C1 N2 C13 C14 106.3(2) .
C1 N2 C13 C18 -81.8(2) .
C1 N2 C3 C2 -13.4(2) .
C1 N1 C4 C5 70.6(2) .
C1 N1 C4 C9 -115.4(2) .
C1 N1 C2 C3 -12.2(2) .
C5 C4 C9 C8 -1.3(3) .
C5 C4 C9 C12 179.85(16) .
C5 C6 C7 C8 0.2(3) .
C5 C6 C7 C11 179.88(17) .
C13 N2 C1 P1 2.8(3) .
C13 N2 C1 N1 177.63(16) .
C13 N2 C3 C2 174.19(15) .
C13 C14 C15 C16 0.1(3) .
C13 C18 C17 C16 1.5(3) .
C4 N1 C1 P1 7.3(3) .
C4 N1 C1 N2 -167.69(16) .
C4 N1 C2 C3 160.32(16) .
C4 C5 C6 C7 -1.9(3) .
C4 C9 C8 C7 -0.5(3) .
C9 C8 C7 C6 1.0(3) .
C9 C8 C7 C11 -178.64(17) .
C14 C13 C18 C17 0.1(3) .
C14 C13 C18 C21 178.01(17) .
C14 C15 C16 C17 1.5(3) .
C14 C15 C16 C20 -177.06(17) .
C6 C5 C4 N1 176.31(15) .
C6 C5 C4 C9 2.5(3) .
C19 C14 C15 C16 179.19(17) .
C18 C13 C14 C19 179.96(16) .
C18 C13 C14 C15 -0.9(3) .
C18 C17 C16 C15 -2.3(3) .
C18 C17 C16 C20 176.26(18) .
C10 C5 C4 N1 -3.0(2) .
C10 C5 C4 C9 -176.80(16) .
C10 C5 C6 C7 177.38(16) .
C2 N1 C1 P1 179.13(13) .
C2 N1 C1 N2 4.2(2) .
C2 N1 C4 C5 -100.7(2) .
C2 N1 C4 C9 73.4(2) .
C3 N2 C1 P1 -168.64(13) .
C3 N2 C1 N1 6.2(2) .
C3 N2 C13 C14 -82.8(2) .
C3 N2 C13 C18 89.1(2) .
C21 C18 C17 C16 -176.40(17) .
C12 C9 C8 C7 178.37(17) .
C46 C47 C42 C43 0.2(3) .
C31 C32 C33 C34 1.0(4) .
C31 C30 C35 C34 0.4(4) .
C45 C46 C47 C42 -0.2(3) .
C45 C44 C43 C42 -0.1(4) .
C47 C46 C45 C44 0.1(3) .
C47 C42 C43 C44 0.0(3) .
C32 C31 C30 C35 -0.8(4) .
C32 C33 C34 C35 -1.4(4) .
C43 C44 C45 C46 0.1(3) .
C40 C41 C36 C37 -0.6(4) .
C40 C39 C38 C37 -0.9(4) .
C41 C40 C39 C38 0.0(4) .
C41 C36 C37 C38 -0.3(4) .
C33 C34 C35 C30 0.6(4) .
C48 C50 C49 C48 0.5(5) 2_665
C50 C48 C49 C50 -0.4(5) 2_665
C36 C37 C38 C39 1.1(4) .
C30 C31 C32 C33 0.0(4) .
C39 C40 C41 C36 0.7(4) .
