#------------------------------------------------------------------------------
#$Date: 2019-07-04 12:30:53 +0300 (Thu, 04 Jul 2019) $
#$Revision: 216742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/19/1551978.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_1551978
loop_
_publ_author_name
'Joseph A. B. Abdalla'
'Alexa Caise'
'Christian P. Sindlinger'
'Remi Tirfoin'
'Amber L. Thompson'
'Alison J. Edwards'
'Simon Aldridge'
_publ_section_title
;
 Structural snapshots of concerted double E-H bond activation at a
 transition metal centre
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              1256
_journal_page_last               1262
_journal_paper_doi               10.1038/nchem.2792
_journal_volume                  9
_journal_year                    2017
_chemical_absolute_configuration .
_chemical_compound_source        .
_chemical_formula_moiety         'C56 H69 Ga N2 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C88 H81 B F24 Ga N2 P2 Rh'
_chemical_formula_weight         1867.96
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_cell_angle_alpha                90
_cell_angle_beta                 99.5199(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1707(1)
_cell_length_b                   13.4756(1)
_cell_length_c                   40.4746(3)
_cell_measurement_reflns_used    25528
_cell_measurement_temperature    150
_cell_measurement_theta_max      76
_cell_measurement_theta_min      3
_cell_volume                     8698.35(11)
_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlisPro, (Agilent, 2011)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18043
_diffrn_reflns_theta_full        74.263
_diffrn_reflns_theta_max         76.560
_diffrn_reflns_theta_min         3.149
_diffrn_standards_decay_%        .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.107
_exptl_absorpt_correction_T_max  0.57
_exptl_absorpt_correction_T_min  0.46
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, (Agilent, 2011)'
_exptl_crystal_colour            clear_intense_yellow
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3800
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.15
_refine_diff_density_min         -2.47
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9609
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1295
_refine_ls_number_reflns         17973
_refine_ls_number_restraints     1638
_refine_ls_R_factor_all          0.0719
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.0077784
_refine_ls_shift/su_mean         0.0001664
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick
 w=1/[σ²(F²) + ( 0.07P)² +40.54P]
 ,where P=(max(Fo²,0) + 2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1682
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.1682
_reflns_limit_h_max              20
_reflns_limit_h_min              -20
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              50
_reflns_limit_l_min              0
_reflns_number_gt                16912
_reflns_number_total             18043
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.48
_oxford_diffrn_Wilson_scale      0.39
_oxford_refine_ls_r_factor_ref   0.0719
_oxford_refine_ls_scale          1.703(8)
_oxford_reflns_number_all        17974
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_cod_data_source_file            1000001.cif
_cod_data_source_block           PCOD1000001
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_primary' value 'Other' was changed to
'other' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C88 H81 B1 F24 Ga1 N2 P2 Rh1'
_cod_database_code               1551978
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Rh1 Rh 0.293880(18) 1.17404(3) 0.632184(7) 0.0333 1.0000 Uani D . . . . .
Ga1 Ga 0.22245(3) 1.01996(4) 0.604917(13) 0.0311 1.0000 Uani D . . . . .
N1 N 0.1084(2) 0.9835(3) 0.59272(10) 0.0401 1.0000 Uani . . . . . .
N2 N 0.2728(2) 0.9017(3) 0.59180(8) 0.0292 1.0000 Uani . . . . . .
C1 C -0.0073(3) 0.8830(6) 0.5637(2) 0.0817 1.0000 Uani . . . . . .
C2 C 0.0849(3) 0.9034(4) 0.57420(14) 0.0498 1.0000 Uani . . . . . .
C3 C 0.1415(3) 0.8358(4) 0.56433(14) 0.0472 1.0000 Uani . . . . . .
C4 C 0.2288(3) 0.8314(3) 0.57369(12) 0.0358 1.0000 Uani . . . . . .
C5 C 0.2725(3) 0.7426(4) 0.56236(13) 0.0439 1.0000 Uani . . . . . .
C11 C 0.0473(3) 1.0393(4) 0.60788(13) 0.0413 1.0000 Uani . . . . . .
C12 C 0.0296(2) 1.0065(3) 0.63878(11) 0.0392 1.0000 Uani D . . . . .
C13 C -0.0266(3) 1.0621(4) 0.65384(14) 0.0479 1.0000 Uani . . . . . .
C14 C -0.0634(3) 1.1464(4) 0.63876(17) 0.0579 1.0000 Uani . . . . . .
C15 C -0.0448(4) 1.1776(5) 0.60873(19) 0.0641 1.0000 Uani . . . . . .
C16 C 0.0108(3) 1.1253(4) 0.59236(16) 0.0556 1.0000 Uani . . . . . .
C17 C 0.0665(2) 0.9120(3) 0.65568(10) 0.0426 1.0000 Uani D . . . . .
C18 C 0.0310(4) 1.1633(6) 0.5594(2) 0.0791 1.0000 Uani . . . . . .
C21 C 0.3624(2) 0.8907(3) 0.60312(10) 0.0272 1.0000 Uani . . . . . .
C22 C 0.4184(2) 0.9182(3) 0.58155(10) 0.0279 1.0000 Uani . . . . . .
C23 C 0.5039(3) 0.9102(3) 0.59391(12) 0.0366 1.0000 Uani . . . . . .
C24 C 0.5327(3) 0.8767(4) 0.62577(13) 0.0439 1.0000 Uani . . . . . .
C25 C 0.4766(3) 0.8508(4) 0.64648(12) 0.0425 1.0000 Uani . . . . . .
C26 C 0.3905(3) 0.8569(3) 0.63575(11) 0.0360 1.0000 Uani . . . . . .
C27 C 0.3894(3) 0.9569(3) 0.54611(11) 0.0336 1.0000 Uani . . . . . .
C28 C 0.3305(4) 0.8220(5) 0.65853(14) 0.0550 1.0000 Uani . . . . . .
C31 C 0.1276(18) 0.9334(5) 0.6880(5) 0.0467 0.41(8) Uani D . P 1 1 .
C32 C -0.0013(4) 0.8395(12) 0.6623(9) 0.0714 0.41(8) Uani D . P 1 1 .
C33 C 0.0736(6) 1.2657(7) 0.5642(3) 0.1129 1.0000 Uani . . . . . .
C34 C -0.0474(6) 1.1711(9) 0.5325(2) 0.1160 1.0000 Uani . . . . . .
C35 C 0.4105(4) 1.0662(4) 0.54379(13) 0.0487 1.0000 Uani . . . . . .
C36 C 0.4274(4) 0.8979(4) 0.51989(12) 0.0500 1.0000 Uani . . . . . .
C37 C 0.3538(6) 0.8582(6) 0.69455(16) 0.0791 1.0000 Uani . . . . . .
C38 C 0.3256(6) 0.7093(6) 0.65766(18) 0.0885 1.0000 Uani . . . . . .
C41 C 0.108(2) 0.9299(7) 0.6920(4) 0.0700 0.59(8) Uani D . P 1 2 .
C42 C 0.0018(8) 0.8290(11) 0.6537(9) 0.1168 0.59(8) Uani D . P 1 2 .
P1 P 0.32284(6) 1.22622(8) 0.68548(2) 0.0288 1.0000 Uani . . . . . .
P2 P 0.36474(7) 1.30371(8) 0.61577(3) 0.0319 1.0000 Uani . . . . . .
C51 C 0.3179(3) 1.3601(3) 0.69198(11) 0.0392 1.0000 Uani . . . . . .
C52 C 0.3759(3) 1.4221(4) 0.67419(12) 0.0427 1.0000 Uani . . . . . .
C53 C 0.3516(3) 1.4228(3) 0.63596(12) 0.0422 1.0000 Uani . . . . . .
C61 C 0.2460(3) 1.1845(3) 0.71092(10) 0.0304 1.0000 Uani . . . . . .
C62 C 0.2677(3) 1.1260(3) 0.73900(10) 0.0345 1.0000 Uani . . . . . .
C63 C 0.2068(3) 1.0993(4) 0.75814(11) 0.0444 1.0000 Uani . . . . . .
C64 C 0.1258(3) 1.1319(4) 0.74944(13) 0.0493 1.0000 Uani . . . . . .
C65 C 0.1031(3) 1.1890(4) 0.72112(14) 0.0486 1.0000 Uani . . . . . .
C66 C 0.1630(3) 1.2150(4) 0.70160(12) 0.0411 1.0000 Uani . . . . . .
C71 C 0.4246(3) 1.1901(3) 0.70904(10) 0.0311 1.0000 Uani . . . . . .
C72 C 0.4636(3) 1.1077(4) 0.69880(13) 0.0481 1.0000 Uani . . . . . .
C73 C 0.5400(4) 1.0755(6) 0.71591(16) 0.0692 1.0000 Uani . . . . . .
C74 C 0.5798(3) 1.1282(6) 0.74305(16) 0.0645 1.0000 Uani . . . . . .
C75 C 0.5418(4) 1.2106(5) 0.75358(17) 0.0670 1.0000 Uani . . . . . .
C76 C 0.4641(4) 1.2415(4) 0.73674(14) 0.0547 1.0000 Uani . . . . . .
C81 C 0.3424(3) 1.3368(3) 0.57137(11) 0.0339 1.0000 Uani . . . . . .
C82 C 0.2678(3) 1.3848(5) 0.55877(13) 0.0494 1.0000 Uani . . . . . .
C83 C 0.2478(3) 1.4069(5) 0.52472(14) 0.0587 1.0000 Uani . . . . . .
C84 C 0.3020(3) 1.3810(4) 0.50332(12) 0.0493 1.0000 Uani . . . . . .
C85 C 0.3761(3) 1.3328(4) 0.51569(12) 0.0441 1.0000 Uani . . . . . .
C86 C 0.3970(3) 1.3119(3) 0.54961(11) 0.0354 1.0000 Uani . . . . . .
C91 C 0.4772(3) 1.2816(3) 0.62402(10) 0.0313 1.0000 Uani . . . . . .
C92 C 0.5360(3) 1.3578(4) 0.62971(11) 0.0372 1.0000 Uani . . . . . .
C93 C 0.6211(3) 1.3362(4) 0.63670(12) 0.0415 1.0000 Uani . . . . . .
C94 C 0.6483(3) 1.2392(4) 0.63734(13) 0.0486 1.0000 Uani . . . . . .
C95 C 0.5907(3) 1.1632(4) 0.63124(16) 0.0512 1.0000 Uani . . . . . .
C96 C 0.5061(3) 1.1842(4) 0.62469(13) 0.0420 1.0000 Uani . . . . . .
B1 B 0.7875(2) 0.6128(3) 0.62651(10) 0.0244 1.0000 Uani . . . . . .
C111 C 0.7765(2) 0.7336(3) 0.62577(9) 0.0248 1.0000 Uani . . . . . .
C112 C 0.7803(2) 0.7930(3) 0.65417(10) 0.0263 1.0000 Uani . . . . . .
C113 C 0.7742(2) 0.8960(3) 0.65242(10) 0.0291 1.0000 Uani . . . . . .
C114 C 0.7650(2) 0.9450(3) 0.62202(11) 0.0321 1.0000 Uani . . . . . .
C115 C 0.7616(2) 0.8868(3) 0.59307(8) 0.0351 1.0000 Uani D . . . . .
C116 C 0.7665(2) 0.7851(3) 0.59517(10) 0.0297 1.0000 Uani . . . . . .
C117 C 0.7763(3) 0.9532(3) 0.68410(12) 0.0377 1.0000 Uani . . . . . .
C118 C 0.74822(16) 0.9363(2) 0.55950(6) 0.0519 1.0000 Uani D . . . . .
C121 C 0.7186(2) 0.5606(3) 0.59734(9) 0.0244 1.0000 Uani . . . . . .
C122 C 0.6380(2) 0.5995(3) 0.58818(9) 0.0259 1.0000 Uani . . . . . .
C123 C 0.57585(19) 0.5503(2) 0.56618(8) 0.0277 1.0000 Uani D . . . . .
C124 C 0.5918(2) 0.4596(3) 0.55259(10) 0.0303 1.0000 Uani . . . . . .
C125 C 0.6712(2) 0.4189(2) 0.56178(8) 0.0328 1.0000 Uani D . . . . .
C126 C 0.7328(2) 0.4683(3) 0.58337(9) 0.0280 1.0000 Uani . . . . . .
C127 C 0.49060(12) 0.59534(17) 0.55883(6) 0.0371 1.0000 Uani D . . . . .
C128 C 0.68958(15) 0.32144(16) 0.54717(6) 0.0490 1.0000 Uani D . . . . .
C131 C 0.8833(2) 0.5914(3) 0.62007(10) 0.0270 1.0000 Uani . . . . . .
C132 C 0.9031(2) 0.5857(3) 0.58780(10) 0.0290 1.0000 Uani . . . . . .
C133 C 0.9848(2) 0.5700(3) 0.58203(8) 0.0353 1.0000 Uani D . . . . .
C134 C 1.0501(3) 0.5587(4) 0.60829(12) 0.0397 1.0000 Uani . . . . . .
C135 C 1.0325(2) 0.5644(3) 0.64064(9) 0.0458 1.0000 Uani D . . . . .
C136 C 0.9513(2) 0.5824(3) 0.64631(10) 0.0326 1.0000 Uani . . . . . .
C137 C 0.99895(14) 0.56123(19) 0.54659(5) 0.0448 1.0000 Uani D . . . . .
C138 C 1.10095(15) 0.5503(3) 0.67008(6) 0.0669 1.0000 Uani D . . . . .
C141 C 0.7663(2) 0.5621(3) 0.66108(9) 0.0264 1.0000 Uani . . . . . .
C142 C 0.8067(3) 0.4778(3) 0.67595(10) 0.0304 1.0000 Uani . . . . . .
C143 C 0.7794(2) 0.4287(3) 0.70269(9) 0.0388 1.0000 Uani D . . . . .
C144 C 0.7097(3) 0.4614(4) 0.71516(11) 0.0402 1.0000 Uani . . . . . .
C145 C 0.6682(2) 0.5434(3) 0.70072(10) 0.0409 1.0000 Uani D . . . . .
C146 C 0.6959(2) 0.5930(3) 0.67436(10) 0.0294 1.0000 Uani . . . . . .
C147 C 0.82499(17) 0.33935(18) 0.71806(6) 0.0531 1.0000 Uani D . . . . .
C148 C 0.59022(16) 0.5766(2) 0.71286(7) 0.0612 1.0000 Uani D . . . . .
F11 F 0.84352(19) 0.9316(2) 0.70700(7) 0.0530 1.0000 Uani . . . . . .
F12 F 0.7099(2) 0.9330(3) 0.69888(9) 0.0626 1.0000 Uani . . . . . .
F13 F 0.7777(2) 1.0511(2) 0.68001(8) 0.0607 1.0000 Uani . . . . . .
F14 F 0.7652(5) 1.0322(4) 0.56125(10) 0.0854 0.614(10) Uani D . P 2 1 .
F15 F 0.6704(3) 0.9287(6) 0.54381(12) 0.0687 0.614(10) Uani D . P 2 1 .
F16 F 0.7955(4) 0.8984(5) 0.53889(11) 0.0584 0.614(10) Uani D . P 2 1 .
F21 F 0.4494(3) 0.5900(7) 0.58466(14) 0.0555 0.616(19) Uani D . P 3 1 .
F22 F 0.49229(19) 0.6909(4) 0.5510(3) 0.0450 0.616(19) Uani D . P 3 1 .
F23 F 0.4413(3) 0.5516(6) 0.5332(2) 0.0575 0.616(19) Uani D . P 3 1 .
F24 F 0.6987(10) 0.3281(3) 0.51515(17) 0.0584 0.42(3) Uani D . P 4 1 .
F25 F 0.7599(6) 0.2800(6) 0.5630(3) 0.0474 0.42(3) Uani D . P 4 1 .
F26 F 0.6288(5) 0.2543(5) 0.5482(4) 0.0534 0.42(3) Uani D . P 4 1 .
F31 F 0.9596(8) 0.6324(7) 0.52666(12) 0.0504 0.56(3) Uani D . P 5 1 .
F32 F 0.9720(8) 0.4759(5) 0.53259(14) 0.0475 0.56(3) Uani D . P 5 1 .
F33 F 1.0800(3) 0.5676(11) 0.54364(9) 0.0633 0.56(3) Uani D . P 5 1 .
F34 F 1.1117(3) 0.6281(4) 0.68971(12) 0.1052 0.819(6) Uani D . P 6 1 .
F35 F 1.17456(19) 0.5326(4) 0.66127(8) 0.0593 0.819(6) Uani D . P 6 1 .
F36 F 1.0866(3) 0.4746(5) 0.68948(13) 0.1090 0.819(6) Uani D . P 6 1 .
F41 F 0.8840(5) 0.3615(3) 0.7437(2) 0.0647 0.578(17) Uani D . P 7 1 .
F42 F 0.7745(3) 0.2744(5) 0.7298(3) 0.0699 0.578(17) Uani D . P 7 1 .
F43 F 0.8629(6) 0.2893(5) 0.69668(13) 0.0671 0.578(17) Uani D . P 7 1 .
F44 F 0.6040(3) 0.6458(4) 0.73531(15) 0.1047 0.689(6) Uani D . P 8 1 .
F45 F 0.5335(3) 0.6120(4) 0.68879(12) 0.0844 0.689(6) Uani D . P 8 1 .
F46 F 0.5525(2) 0.5032(3) 0.72683(11) 0.0595 0.689(6) Uani D . P 8 1 .
F114 F 0.8035(5) 1.0085(6) 0.55733(12) 0.0528 0.386(10) Uani D . P 2 2 .
F115 F 0.6739(4) 0.9775(7) 0.55197(14) 0.0717 0.386(10) Uani D . P 2 2 .
F116 F 0.7546(7) 0.8743(4) 0.53475(12) 0.0725 0.386(10) Uani D . P 2 2 .
F121 F 0.4374(4) 0.5556(8) 0.5769(3) 0.0445 0.384(19) Uani D . P 3 2 .
F122 F 0.4909(2) 0.6923(4) 0.5650(3) 0.0482 0.384(19) Uani D . P 3 2 .
F123 F 0.4549(4) 0.5848(9) 0.52686(15) 0.0462 0.384(19) Uani D . P 3 2 .
F124 F 0.7285(9) 0.3307(3) 0.5207(2) 0.0714 0.58(3) Uani D . P 4 2 .
F125 F 0.7391(7) 0.2635(5) 0.56900(15) 0.0485 0.58(3) Uani D . P 4 2 .
F126 F 0.6206(3) 0.2683(5) 0.5367(3) 0.0710 0.58(3) Uani D . P 4 2 .
F131 F 0.9889(11) 0.6467(4) 0.53010(16) 0.0549 0.44(3) Uani D . P 5 2 .
F132 F 0.9467(7) 0.4974(10) 0.52875(14) 0.0431 0.44(3) Uani D . P 5 2 .
F133 F 1.0764(5) 0.5299(12) 0.54419(9) 0.0593 0.44(3) Uani D . P 5 2 .
F134 F 1.1537(7) 0.6267(7) 0.6748(3) 0.0821 0.181(6) Uani D . P 6 2 .
F135 F 1.1476(7) 0.4713(9) 0.6672(2) 0.0793 0.181(6) Uani D . P 6 2 .
F136 F 1.0722(3) 0.5392(15) 0.69855(15) 0.0613 0.181(6) Uani D . P 6 2 .
F141 F 0.9036(4) 0.3583(4) 0.7311(3) 0.0756 0.422(17) Uani D . P 7 2 .
F142 F 0.7903(6) 0.3007(7) 0.7426(3) 0.0664 0.422(17) Uani D . P 7 2 .
F143 F 0.8278(8) 0.2666(5) 0.69623(14) 0.0590 0.422(17) Uani D . P 7 2 .
F144 F 0.5929(3) 0.5613(7) 0.74522(16) 0.0816 0.311(6) Uani D . P 8 2 .
F145 F 0.5749(4) 0.6751(5) 0.7079(2) 0.0545 0.311(6) Uani D . P 8 2 .
F146 F 0.5231(3) 0.5310(6) 0.6979(2) 0.0876 0.311(6) Uani D . P 8 2 .
H11 H -0.0163 0.8220 0.5514 0.1207 1.0000 Uiso R . . . . .
H12 H -0.0345 0.8791 0.5830 0.1208 1.0000 Uiso R . . . . .
H13 H -0.0324 0.9355 0.5499 0.1211 1.0000 Uiso R . . . . .
H31 H 0.1175 0.7862 0.5498 0.0569 1.0000 Uiso R . . . . .
H51 H 0.3217 0.7267 0.5781 0.0660 1.0000 Uiso R . . . . .
H52 H 0.2358 0.6869 0.5601 0.0662 1.0000 Uiso R . . . . .
H53 H 0.2885 0.7569 0.5414 0.0663 1.0000 Uiso R . . . . .
H131 H -0.0395 1.0415 0.6746 0.0578 1.0000 Uiso R . . . . .
H141 H -0.1007 1.1828 0.6492 0.0689 1.0000 Uiso R . . . . .
H151 H -0.0695 1.2352 0.5988 0.0769 1.0000 Uiso R . . . . .
H171 H 0.0982 0.8790 0.6402 0.0510 0.41(8) Uiso R . P 1 1 .
H172 H 0.1111 0.8902 0.6437 0.0510 0.59(8) Uiso R . P 1 2 .
H181 H 0.0689 1.1159 0.5513 0.0948 1.0000 Uiso R . . . . .
H231 H 0.5428 0.9281 0.5802 0.0440 1.0000 Uiso R . . . . .
H241 H 0.5903 0.8720 0.6336 0.0522 1.0000 Uiso R . . . . .
H251 H 0.4965 0.8282 0.6680 0.0509 1.0000 Uiso R . . . . .
H271 H 0.3281 0.9501 0.5411 0.0408 1.0000 Uiso R . . . . .
H281 H 0.2745 0.8471 0.6496 0.0661 1.0000 Uiso R . . . . .
H311 H 0.1487 0.8723 0.6982 0.0729 0.41(8) Uiso R . P 1 1 .
H312 H 0.0994 0.9691 0.7034 0.0729 0.41(8) Uiso R . P 1 1 .
H313 H 0.1740 0.9723 0.6830 0.0730 0.41(8) Uiso R . P 1 1 .
H321 H 0.0247 0.7787 0.6713 0.1169 0.41(8) Uiso R . P 1 1 .
H322 H -0.0324 0.8687 0.6783 0.1169 0.41(8) Uiso R . P 1 1 .
H323 H -0.0387 0.8261 0.6417 0.1169 0.41(8) Uiso R . P 1 1 .
H331 H 0.0940 1.2837 0.5440 0.1719 1.0000 Uiso R . . . . .
H332 H 0.0333 1.3139 0.5689 0.1720 1.0000 Uiso R . . . . .
H333 H 0.1192 1.2631 0.5826 0.1720 1.0000 Uiso R . . . . .
H341 H -0.0329 1.2031 0.5131 0.1738 1.0000 Uiso R . . . . .
H342 H -0.0894 1.2090 0.5406 0.1739 1.0000 Uiso R . . . . .
H343 H -0.0691 1.1056 0.5264 0.1738 1.0000 Uiso R . . . . .
H351 H 0.3871 1.0923 0.5220 0.0729 1.0000 Uiso R . . . . .
H352 H 0.3875 1.1021 0.5608 0.0727 1.0000 Uiso R . . . . .
H353 H 0.4708 1.0747 0.5476 0.0726 1.0000 Uiso R . . . . .
H361 H 0.4054 0.9232 0.4980 0.0738 1.0000 Uiso R . . . . .
H362 H 0.4879 0.9064 0.5239 0.0739 1.0000 Uiso R . . . . .
H363 H 0.4133 0.8287 0.5210 0.0735 1.0000 Uiso R . . . . .
H371 H 0.3127 0.8354 0.7074 0.1198 1.0000 Uiso R . . . . .
H372 H 0.3558 0.9297 0.6955 0.1198 1.0000 Uiso R . . . . .
H373 H 0.4077 0.8323 0.7044 0.1199 1.0000 Uiso R . . . . .
H381 H 0.2821 0.6889 0.6691 0.1320 1.0000 Uiso R . . . . .
H382 H 0.3784 0.6832 0.6683 0.1320 1.0000 Uiso R . . . . .
H383 H 0.3138 0.6877 0.6351 0.1321 1.0000 Uiso R . . . . .
H411 H 0.1383 0.8722 0.7007 0.0909 0.59(8) Uiso R . P 1 2 .
H412 H 0.0648 0.9432 0.7051 0.0908 0.59(8) Uiso R . P 1 2 .
H413 H 0.1453 0.9856 0.6937 0.0909 0.59(8) Uiso R . P 1 2 .
H421 H 0.0257 0.7736 0.6670 0.1580 0.59(8) Uiso R . P 1 2 .
H422 H -0.0474 0.8524 0.6618 0.1579 0.59(8) Uiso R . P 1 2 .
H423 H -0.0131 0.8090 0.6307 0.1579 0.59(8) Uiso R . P 1 2 .
H511 H 0.3312 1.3736 0.7158 0.0469 1.0000 Uiso R . . . . .
H512 H 0.2608 1.3808 0.6838 0.0471 1.0000 Uiso R . . . . .
H521 H 0.3749 1.4894 0.6822 0.0507 1.0000 Uiso R . . . . .
H522 H 0.4325 1.3976 0.6802 0.0508 1.0000 Uiso R . . . . .
H531 H 0.3853 1.4717 0.6268 0.0502 1.0000 Uiso R . . . . .
H532 H 0.2932 1.4408 0.6303 0.0503 1.0000 Uiso R . . . . .
H621 H 0.3230 1.1051 0.7450 0.0408 1.0000 Uiso R . . . . .
H631 H 0.2216 1.0587 0.7769 0.0531 1.0000 Uiso R . . . . .
H641 H 0.0861 1.1151 0.7628 0.0600 1.0000 Uiso R . . . . .
H651 H 0.0481 1.2105 0.7150 0.0581 1.0000 Uiso R . . . . .
H661 H 0.1479 1.2533 0.6823 0.0492 1.0000 Uiso R . . . . .
H721 H 0.4380 1.0728 0.6800 0.0580 1.0000 Uiso R . . . . .
H731 H 0.5642 1.0185 0.7090 0.0828 1.0000 Uiso R . . . . .
H741 H 0.6323 1.1079 0.7540 0.0770 1.0000 Uiso R . . . . .
H751 H 0.5683 1.2459 0.7722 0.0812 1.0000 Uiso R . . . . .
H761 H 0.4382 1.2967 0.7439 0.0661 1.0000 Uiso R . . . . .
H821 H 0.2307 1.4020 0.5733 0.0586 1.0000 Uiso R . . . . .
H831 H 0.1979 1.4397 0.5164 0.0707 1.0000 Uiso R . . . . .
H841 H 0.2891 1.3961 0.4805 0.0589 1.0000 Uiso R . . . . .
H851 H 0.4128 1.3142 0.5012 0.0531 1.0000 Uiso R . . . . .
H861 H 0.4477 1.2807 0.5577 0.0425 1.0000 Uiso R . . . . .
H921 H 0.5183 1.4240 0.6287 0.0439 1.0000 Uiso R . . . . .
H931 H 0.6602 1.3873 0.6408 0.0500 1.0000 Uiso R . . . . .
H941 H 0.7051 1.2249 0.6420 0.0580 1.0000 Uiso R . . . . .
H951 H 0.6087 1.0979 0.6317 0.0621 1.0000 Uiso R . . . . .
H961 H 0.4680 1.1318 0.6208 0.0501 1.0000 Uiso R . . . . .
H1121 H 0.7871 0.7624 0.6750 0.0309 1.0000 Uiso R . . . . .
H1141 H 0.7619 1.0139 0.6208 0.0390 1.0000 Uiso R . . . . .
H1161 H 0.7630 0.7483 0.5753 0.0349 1.0000 Uiso R . . . . .
H1221 H 0.6256 0.6599 0.5971 0.0309 1.0000 Uiso R . . . . .
H1241 H 0.5509 0.4261 0.5378 0.0373 1.0000 Uiso R . . . . .
H1261 H 0.7860 0.4389 0.5890 0.0335 1.0000 Uiso R . . . . .
H1321 H 0.8603 0.5930 0.5693 0.0349 1.0000 Uiso R . . . . .
H1341 H 1.1041 0.5473 0.6045 0.0482 1.0000 Uiso R . . . . .
H1361 H 0.9424 0.5884 0.6685 0.0389 1.0000 Uiso R . . . . .
H1421 H 0.8529 0.4539 0.6679 0.0370 1.0000 Uiso R . . . . .
H1441 H 0.6916 0.4281 0.7326 0.0472 1.0000 Uiso R . . . . .
H1461 H 0.6663 0.6486 0.6651 0.0349 1.0000 Uiso R . . . . .
H1 H 0.2439(6) 1.0517(8) 0.6466(3) 0.0352(10) 1.0000 Uiso D . . . . .
H2 H 0.2571(6) 1.1239(8) 0.5863(3) 0.0353(10) 1.0000 Uiso D . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Rh 0.0927 3.6045 19.2957 0.7515 14.3501 8.2176 4.7343 25.8749 1.2892 98.6062
5.3280 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ga -1.2846 0.7763 15.2354 3.0669 6.7006 0.2412 4.3591 10.7805 2.9623 61.4135
1.7189 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
B 0.0090 0.0039 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ga1 . Rh1 . P1 . 133.01(3) yes
Ga1 . Rh1 . P2 . 136.43(3) yes
P1 . Rh1 . P2 . 90.28(4) yes
Ga1 . Rh1 . H1 . 42.5(3) no
P1 . Rh1 . H1 . 90.5(3) no
P2 . Rh1 . H1 . 173.4(3) no
Ga1 . Rh1 . H2 . 42.8(3) no
P1 . Rh1 . H2 . 174.2(3) no
P2 . Rh1 . H2 . 94.4(3) no
H1 . Rh1 . H2 . 85.2(4) no
Rh1 . Ga1 . N1 . 132.77(12) yes
Rh1 . Ga1 . N2 . 128.40(10) yes
N1 . Ga1 . N2 . 98.80(15) yes
Rh1 . Ga1 . H1 . 50.6(3) no
N1 . Ga1 . H1 . 110.5(4) no
N2 . Ga1 . H1 . 117.1(4) no
Rh1 . Ga1 . H2 . 50.9(3) no
N1 . Ga1 . H2 . 117.9(4) no
N2 . Ga1 . H2 . 111.8(4) no
H1 . Ga1 . H2 . 101.5(5) no
Ga1 . N1 . C2 . 122.1(3) yes
Ga1 . N1 . C11 . 117.1(3) yes
C2 . N1 . C11 . 120.3(4) yes
Ga1 . N2 . C4 . 122.4(3) yes
Ga1 . N2 . C21 . 116.6(3) yes
C4 . N2 . C21 . 121.0(3) yes
C2 . C1 . H11 . 111.3 no
C2 . C1 . H12 . 110.1 no
H11 . C1 . H12 . 109.0 no
C2 . C1 . H13 . 109.7 no
H11 . C1 . H13 . 108.6 no
H12 . C1 . H13 . 108.1 no
C1 . C2 . N1 . 118.9(5) yes
C1 . C2 . C3 . 117.7(5) yes
N1 . C2 . C3 . 123.4(4) yes
C2 . C3 . C4 . 129.0(5) yes
C2 . C3 . H31 . 115.1 no
C4 . C3 . H31 . 115.9 no
C3 . C4 . N2 . 122.8(4) yes
C3 . C4 . C5 . 117.1(4) yes
N2 . C4 . C5 . 120.1(4) yes
C4 . C5 . H51 . 110.9 no
C4 . C5 . H52 . 110.0 no
H51 . C5 . H52 . 108.9 no
C4 . C5 . H53 . 108.9 no
H51 . C5 . H53 . 108.7 no
H52 . C5 . H53 . 109.5 no
N1 . C11 . C12 . 117.8(4) yes
N1 . C11 . C16 . 120.2(5) yes
C12 . C11 . C16 . 121.9(4) yes
C11 . C12 . C13 . 117.7(4) yes
C11 . C12 . C17 . 122.9(4) yes
C13 . C12 . C17 . 119.3(4) yes
C12 . C13 . C14 . 121.0(5) yes
C12 . C13 . H131 . 119.3 no
C14 . C13 . H131 . 119.6 no
C13 . C14 . C15 . 120.3(5) yes
C13 . C14 . H141 . 120.0 no
C15 . C14 . H141 . 119.7 no
C14 . C15 . C16 . 121.5(6) yes
C14 . C15 . H151 . 119.8 no
C16 . C15 . H151 . 118.7 no
C11 . C16 . C15 . 117.5(5) yes
C11 . C16 . C18 . 122.6(5) yes
C15 . C16 . C18 . 119.9(6) yes
C12 . C17 . C31 . 112.13(7) yes
C12 . C17 . C32 . 112.10(7) yes
C31 . C17 . C32 . 110.59(7) yes
C12 . C17 . H171 . 107.5 no
C31 . C17 . H171 . 107.4 no
C32 . C17 . H171 . 106.8 no
C12 . C17 . C41 . 112.13(7) yes
C12 . C17 . C42 . 112.10(7) yes
C41 . C17 . C42 . 110.58(7) yes
C12 . C17 . H172 . 107.2 no
C41 . C17 . H172 . 106.5 no
C42 . C17 . H172 . 108.0 no
C16 . C18 . C33 . 110.5(8) yes
C16 . C18 . C34 . 112.0(6) yes
C33 . C18 . C34 . 109.2(7) yes
C16 . C18 . H181 . 108.3 no
C33 . C18 . H181 . 109.6 no
C34 . C18 . H181 . 107.2 no
N2 . C21 . C22 . 119.2(3) yes
N2 . C21 . C26 . 118.7(3) yes
C22 . C21 . C26 . 122.0(4) yes
C21 . C22 . C23 . 117.3(4) yes
C21 . C22 . C27 . 123.0(3) yes
C23 . C22 . C27 . 119.7(4) yes
C22 . C23 . C24 . 121.6(4) yes
C22 . C23 . H231 . 119.4 no
C24 . C23 . H231 . 119.0 no
C23 . C24 . C25 . 120.0(4) yes
C23 . C24 . H241 . 120.4 no
C25 . C24 . H241 . 119.6 no
C24 . C25 . C26 . 121.4(4) yes
C24 . C25 . H251 . 119.5 no
C26 . C25 . H251 . 119.1 no
C21 . C26 . C25 . 117.7(4) yes
C21 . C26 . C28 . 122.3(4) yes
C25 . C26 . C28 . 119.9(4) yes
C22 . C27 . C35 . 110.7(4) yes
C22 . C27 . C36 . 112.2(4) yes
C35 . C27 . C36 . 109.9(4) yes
C22 . C27 . H271 . 107.7 no
C35 . C27 . H271 . 107.9 no
C36 . C27 . H271 . 108.3 no
C26 . C28 . C37 . 113.6(5) yes
C26 . C28 . C38 . 109.3(5) yes
C37 . C28 . C38 . 110.2(5) yes
C26 . C28 . H281 . 108.3 no
C37 . C28 . H281 . 108.1 no
C38 . C28 . H281 . 107.2 no
C17 . C31 . H311 . 109.9 no
C17 . C31 . H312 . 109.9 no
H311 . C31 . H312 . 108.7 no
C17 . C31 . H313 . 110.0 no
H311 . C31 . H313 . 109.0 no
H312 . C31 . H313 . 109.4 no
C17 . C32 . H321 . 109.3 no
C17 . C32 . H322 . 109.0 no
H321 . C32 . H322 . 109.8 no
C17 . C32 . H323 . 109.4 no
H321 . C32 . H323 . 109.9 no
H322 . C32 . H323 . 109.5 no
C18 . C33 . H331 . 109.2 no
C18 . C33 . H332 . 109.1 no
H331 . C33 . H332 . 109.6 no
C18 . C33 . H333 . 109.6 no
H331 . C33 . H333 . 110.0 no
H332 . C33 . H333 . 109.4 no
C18 . C34 . H341 . 109.1 no
C18 . C34 . H342 . 110.2 no
H341 . C34 . H342 . 109.0 no
C18 . C34 . H343 . 110.1 no
H341 . C34 . H343 . 109.0 no
H342 . C34 . H343 . 109.3 no
C27 . C35 . H351 . 110.6 no
C27 . C35 . H352 . 109.0 no
H351 . C35 . H352 . 109.1 no
C27 . C35 . H353 . 109.6 no
H351 . C35 . H353 . 109.6 no
H352 . C35 . H353 . 109.0 no
C27 . C36 . H361 . 108.8 no
C27 . C36 . H362 . 109.3 no
H361 . C36 . H362 . 108.9 no
C27 . C36 . H363 . 110.2 no
H361 . C36 . H363 . 109.4 no
H362 . C36 . H363 . 110.3 no
C28 . C37 . H371 . 109.4 no
C28 . C37 . H372 . 111.0 no
H371 . C37 . H372 . 108.7 no
C28 . C37 . H373 . 110.1 no
H371 . C37 . H373 . 108.7 no
H372 . C37 . H373 . 108.9 no
C28 . C38 . H381 . 108.6 no
C28 . C38 . H382 . 108.5 no
H381 . C38 . H382 . 110.6 no
C28 . C38 . H383 . 109.3 no
H381 . C38 . H383 . 109.6 no
H382 . C38 . H383 . 110.2 no
C17 . C41 . H411 . 110.0 no
C17 . C41 . H412 . 108.9 no
H411 . C41 . H412 . 109.0 no
C17 . C41 . H413 . 111.0 no
H411 . C41 . H413 . 109.0 no
H412 . C41 . H413 . 108.9 no
C17 . C42 . H421 . 109.4 no
C17 . C42 . H422 . 109.9 no
H421 . C42 . H422 . 110.0 no
C17 . C42 . H423 . 108.4 no
H421 . C42 . H423 . 109.8 no
H422 . C42 . H423 . 109.3 no
Rh1 . P1 . C51 . 116.15(15) yes
Rh1 . P1 . C61 . 113.06(14) yes
C51 . P1 . C61 . 100.0(2) yes
Rh1 . P1 . C71 . 116.45(14) yes
C51 . P1 . C71 . 104.2(2) yes
C61 . P1 . C71 . 105.17(19) yes
Rh1 . P2 . C53 . 116.59(15) yes
Rh1 . P2 . C81 . 116.88(15) yes
C53 . P2 . C81 . 101.9(2) yes
Rh1 . P2 . C91 . 111.19(14) yes
C53 . P2 . C91 . 104.4(2) yes
C81 . P2 . C91 . 104.41(19) yes
P1 . C51 . C52 . 115.4(3) yes
P1 . C51 . H511 . 108.6 no
C52 . C51 . H511 . 108.4 no
P1 . C51 . H512 . 107.2 no
C52 . C51 . H512 . 107.9 no
H511 . C51 . H512 . 109.2 no
C51 . C52 . C53 . 114.0(4) yes
C51 . C52 . H521 . 108.2 no
C53 . C52 . H521 . 108.5 no
C51 . C52 . H522 . 109.1 no
C53 . C52 . H522 . 109.3 no
H521 . C52 . H522 . 107.7 no
C52 . C53 . P2 . 114.6(3) yes
C52 . C53 . H531 . 108.9 no
P2 . C53 . H531 . 108.3 no
C52 . C53 . H532 . 108.6 no
P2 . C53 . H532 . 107.1 no
H531 . C53 . H532 . 109.3 no
P1 . C61 . C62 . 122.4(3) yes
P1 . C61 . C66 . 118.0(3) yes
C62 . C61 . C66 . 119.5(4) yes
C61 . C62 . C63 . 119.8(4) yes
C61 . C62 . H621 . 119.4 no
C63 . C62 . H621 . 120.8 no
C62 . C63 . C64 . 120.4(5) yes
C62 . C63 . H631 . 119.4 no
C64 . C63 . H631 . 120.1 no
C63 . C64 . C65 . 120.2(4) yes
C63 . C64 . H641 . 119.6 no
C65 . C64 . H641 . 120.2 no
C64 . C65 . C66 . 119.8(5) yes
C64 . C65 . H651 . 120.4 no
C66 . C65 . H651 . 119.8 no
C61 . C66 . C65 . 120.1(5) yes
C61 . C66 . H661 . 119.7 no
C65 . C66 . H661 . 120.2 no
P1 . C71 . C72 . 118.4(3) yes
P1 . C71 . C76 . 123.1(4) yes
C72 . C71 . C76 . 118.5(4) yes
C71 . C72 . C73 . 121.3(5) yes
C71 . C72 . H721 . 119.4 no
C73 . C72 . H721 . 119.3 no
C72 . C73 . C74 . 120.0(6) yes
C72 . C73 . H731 . 119.7 no
C74 . C73 . H731 . 120.3 no
C73 . C74 . C75 . 119.4(5) yes
C73 . C74 . H741 . 119.9 no
C75 . C74 . H741 . 120.7 no
C74 . C75 . C76 . 120.4(6) yes
C74 . C75 . H751 . 119.6 no
C76 . C75 . H751 . 120.0 no
C75 . C76 . C71 . 120.5(5) yes
C75 . C76 . H761 . 120.5 no
C71 . C76 . H761 . 119.0 no
P2 . C81 . C82 . 119.5(3) yes
P2 . C81 . C86 . 121.5(3) yes
C82 . C81 . C86 . 119.0(4) yes
C81 . C82 . C83 . 120.4(5) yes
C81 . C82 . H821 . 119.5 no
C83 . C82 . H821 . 120.1 no
C82 . C83 . C84 . 120.1(5) yes
C82 . C83 . H831 . 120.2 no
C84 . C83 . H831 . 119.8 no
C83 . C84 . C85 . 119.7(5) yes
C83 . C84 . H841 . 120.3 no
C85 . C84 . H841 . 119.9 no
C84 . C85 . C86 . 120.6(5) yes
C84 . C85 . H851 . 120.0 no
C86 . C85 . H851 . 119.4 no
C81 . C86 . C85 . 120.1(4) yes
C81 . C86 . H861 . 120.0 no
C85 . C86 . H861 . 119.9 no
P2 . C91 . C92 . 123.0(3) yes
P2 . C91 . C96 . 118.7(3) yes
C92 . C91 . C96 . 118.3(4) yes
C91 . C92 . C93 . 120.4(4) yes
C91 . C92 . H921 . 120.1 no
C93 . C92 . H921 . 119.5 no
C92 . C93 . C94 . 120.2(4) yes
C92 . C93 . H931 . 120.1 no
C94 . C93 . H931 . 119.6 no
C93 . C94 . C95 . 119.9(4) yes
C93 . C94 . H941 . 120.2 no
C95 . C94 . H941 . 119.9 no
C94 . C95 . C96 . 120.0(5) yes
C94 . C95 . H951 . 120.1 no
C96 . C95 . H951 . 119.8 no
C91 . C96 . C95 . 121.1(5) yes
C91 . C96 . H961 . 120.0 no
C95 . C96 . H961 . 118.9 no
C111 . B1 . C121 . 110.7(3) yes
C111 . B1 . C131 . 106.0(3) yes
C121 . B1 . C131 . 110.9(3) yes
C111 . B1 . C141 . 113.0(3) yes
C121 . B1 . C141 . 102.8(3) yes
C131 . B1 . C141 . 113.5(3) yes
B1 . C111 . C112 . 124.5(3) yes
B1 . C111 . C116 . 120.2(3) yes
C112 . C111 . C116 . 115.3(4) yes
C111 . C112 . C113 . 122.5(4) yes
C111 . C112 . H1121 . 118.4 no
C113 . C112 . H1121 . 119.1 no
C112 . C113 . C114 . 121.2(4) yes
C112 . C113 . C117 . 118.7(4) yes
C114 . C113 . C117 . 120.1(4) yes
C113 . C114 . C115 . 117.3(4) yes
C113 . C114 . H1141 . 121.4 no
C115 . C114 . H1141 . 121.3 no
C114 . C115 . C116 . 120.8(3) yes
C114 . C115 . C118 . 119.3(3) yes
C116 . C115 . C118 . 119.9(3) yes
C111 . C116 . C115 . 122.9(4) yes
C111 . C116 . H1161 . 118.5 no
C115 . C116 . H1161 . 118.6 no
C113 . C117 . F11 . 112.6(4) yes
C113 . C117 . F12 . 111.9(4) yes
F11 . C117 . F12 . 105.4(4) yes
C113 . C117 . F13 . 113.8(4) yes
F11 . C117 . F13 . 105.8(4) yes
F12 . C117 . F13 . 106.7(4) yes
C115 . C118 . F14 . 112.91(5) yes
C115 . C118 . F15 . 112.75(5) yes
F14 . C118 . F15 . 105.96(6) yes
C115 . C118 . F16 . 112.87(5) yes
F14 . C118 . F16 . 105.94(6) yes
F15 . C118 . F16 . 105.79(6) yes
C115 . C118 . F114 . 112.74(5) yes
C115 . C118 . F115 . 112.84(5) yes
F114 . C118 . F115 . 105.88(6) yes
C115 . C118 . F116 . 112.90(5) yes
F114 . C118 . F116 . 105.89(6) yes
F115 . C118 . F116 . 105.97(6) yes
B1 . C121 . C122 . 121.5(3) yes
B1 . C121 . C126 . 122.3(3) yes
C122 . C121 . C126 . 115.7(3) yes
C121 . C122 . C123 . 122.2(3) yes
C121 . C122 . H1221 . 118.7 no
C123 . C122 . H1221 . 119.1 no
C122 . C123 . C124 . 120.8(3) yes
C122 . C123 . C127 . 118.6(2) yes
C124 . C123 . C127 . 120.6(2) yes
C123 . C124 . C125 . 117.9(3) yes
C123 . C124 . H1241 . 121.6 no
C125 . C124 . H1241 . 120.5 no
C124 . C125 . C126 . 121.1(3) yes
C124 . C125 . C128 . 118.5(3) yes
C126 . C125 . C128 . 120.4(3) yes
C121 . C126 . C125 . 122.3(3) yes
C121 . C126 . H1261 . 118.7 no
C125 . C126 . H1261 . 119.0 no
C123 . C127 . F21 . 112.80(5) yes
C123 . C127 . F22 . 112.81(5) yes
F21 . C127 . F22 . 105.90(6) yes
C123 . C127 . F23 . 112.86(5) yes
F21 . C127 . F23 . 105.93(6) yes
F22 . C127 . F23 . 105.92(6) yes
C123 . C127 . F121 . 112.82(5) yes
C123 . C127 . F122 . 112.85(5) yes
F121 . C127 . F122 . 105.93(6) yes
C123 . C127 . F123 . 112.83(5) yes
F121 . C127 . F123 . 105.89(6) yes
F122 . C127 . F123 . 105.91(6) yes
C125 . C128 . F24 . 112.83(5) yes
C125 . C128 . F25 . 112.85(5) yes
F24 . C128 . F25 . 105.94(6) yes
C125 . C128 . F26 . 112.80(5) yes
F24 . C128 . F26 . 105.91(6) yes
F25 . C128 . F26 . 105.89(6) yes
C125 . C128 . F124 . 112.80(5) yes
C125 . C128 . F125 . 112.83(5) yes
F124 . C128 . F125 . 105.89(6) yes
C125 . C128 . F126 . 112.86(5) yes
F124 . C128 . F126 . 105.92(6) yes
F125 . C128 . F126 . 105.94(6) yes
B1 . C131 . C132 . 121.8(3) yes
B1 . C131 . C136 . 122.6(3) yes
C132 . C131 . C136 . 115.5(3) yes
C131 . C132 . C133 . 122.3(3) yes
C131 . C132 . H1321 . 119.2 no
C133 . C132 . H1321 . 118.5 no
C132 . C133 . C134 . 120.9(3) yes
C132 . C133 . C137 . 118.2(3) yes
C134 . C133 . C137 . 120.9(3) yes
C133 . C134 . C135 . 118.2(3) yes
C133 . C134 . H1341 . 120.9 no
C135 . C134 . H1341 . 120.9 no
C134 . C135 . C136 . 120.8(3) yes
C134 . C135 . C138 . 120.3(3) yes
C136 . C135 . C138 . 118.9(3) yes
C131 . C136 . C135 . 122.2(4) yes
C131 . C136 . H1361 . 119.5 no
C135 . C136 . H1361 . 118.3 no
C133 . C137 . F31 . 112.80(5) yes
C133 . C137 . F32 . 112.84(5) yes
F31 . C137 . F32 . 105.89(6) yes
C133 . C137 . F33 . 112.84(5) yes
F31 . C137 . F33 . 105.90(6) yes
F32 . C137 . F33 . 105.96(6) yes
C133 . C137 . F131 . 112.86(5) yes
C133 . C137 . F132 . 112.82(5) yes
F131 . C137 . F132 . 105.93(6) yes
C133 . C137 . F133 . 112.81(5) yes
F131 . C137 . F133 . 105.93(6) yes
F132 . C137 . F133 . 105.88(6) yes
C135 . C138 . F34 . 112.84(5) yes
C135 . C138 . F35 . 112.87(5) yes
F34 . C138 . F35 . 105.94(6) yes
C135 . C138 . F36 . 112.82(5) yes
F34 . C138 . F36 . 105.90(6) yes
F35 . C138 . F36 . 105.85(6) yes
C135 . C138 . F134 . 112.79(5) yes
C135 . C138 . F135 . 112.85(5) yes
F134 . C138 . F135 . 105.91(6) yes
C135 . C138 . F136 . 112.86(5) yes
F134 . C138 . F136 . 105.89(6) yes
F135 . C138 . F136 . 105.93(6) yes
B1 . C141 . C142 . 123.8(3) yes
B1 . C141 . C146 . 120.0(3) yes
C142 . C141 . C146 . 115.3(4) yes
C141 . C142 . C143 . 122.2(4) yes
C141 . C142 . H1421 . 118.6 no
C143 . C142 . H1421 . 119.1 no
C142 . C143 . C144 . 120.8(3) yes
C142 . C143 . C147 . 120.4(3) yes
C144 . C143 . C147 . 118.8(3) yes
C143 . C144 . C145 . 118.2(4) yes
C143 . C144 . H1441 . 120.3 no
C145 . C144 . H1441 . 121.5 no
C144 . C145 . C146 . 121.1(3) yes
C144 . C145 . C148 . 118.7(3) yes
C146 . C145 . C148 . 120.2(3) yes
C141 . C146 . C145 . 122.3(4) yes
C141 . C146 . H1461 . 118.7 no
C145 . C146 . H1461 . 119.0 no
C143 . C147 . F41 . 112.81(5) yes
C143 . C147 . F42 . 112.83(5) yes
F41 . C147 . F42 . 105.89(6) yes
C143 . C147 . F43 . 112.86(5) yes
F41 . C147 . F43 . 105.93(6) yes
F42 . C147 . F43 . 105.91(6) yes
C143 . C147 . F141 . 112.82(5) yes
C143 . C147 . F142 . 112.87(5) yes
F141 . C147 . F142 . 105.92(6) yes
C143 . C147 . F143 . 112.82(5) yes
F141 . C147 . F143 . 105.90(6) yes
F142 . C147 . F143 . 105.91(6) yes
C145 . C148 . F44 . 112.88(5) yes
C145 . C148 . F45 . 112.84(5) yes
F44 . C148 . F45 . 106.04(6) yes
C145 . C148 . F46 . 112.78(5) yes
F44 . C148 . F46 . 105.91(6) yes
F45 . C148 . F46 . 105.78(6) yes
C145 . C148 . F144 . 112.86(5) yes
C145 . C148 . F145 . 112.76(5) yes
F144 . C148 . F145 . 105.84(6) yes
C145 . C148 . F146 . 112.91(5) yes
F144 . C148 . F146 . 105.95(6) yes
F145 . C148 . F146 . 105.91(6) yes
Ga1 . H1 . Rh1 . 86.8(4) no
Ga1 . H2 . Rh1 . 86.3(4) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 . Ga1 . 2.5380(7) yes
Rh1 . P1 . 2.2436(10) yes
Rh1 . P2 . 2.2493(11) yes
Rh1 . H1 . 1.965(10) no
Rh1 . H2 . 1.975(10) no
Ga1 . N1 . 1.893(4) yes
Ga1 . N2 . 1.904(3) yes
Ga1 . H1 . 1.718(10) no
Ga1 . H2 . 1.728(10) no
N1 . C2 . 1.334(7) yes
N1 . C11 . 1.456(5) yes
N2 . C4 . 1.330(6) yes
N2 . C21 . 1.454(5) yes
C1 . C2 . 1.507(7) yes
C1 . H11 . 0.958 no
C1 . H12 . 0.961 no
C1 . H13 . 0.951 no
C2 . C3 . 1.395(7) yes
C3 . C4 . 1.402(6) yes
C3 . H31 . 0.932 no
C4 . C5 . 1.499(6) yes
C5 . H51 . 0.958 no
C5 . H52 . 0.951 no
C5 . H53 . 0.948 no
C11 . C12 . 1.400(7) yes
C11 . C16 . 1.401(7) yes
C12 . C13 . 1.393(6) yes
C12 . C17 . 1.519(4) yes
C13 . C14 . 1.378(8) yes
C13 . H131 . 0.940 no
C14 . C15 . 1.366(9) yes
C14 . H141 . 0.930 no
C15 . C16 . 1.393(8) yes
C15 . H151 . 0.932 no
C16 . C18 . 1.513(9) yes
C17 . C31 . 1.530(7) yes
C17 . C32 . 1.526(7) yes
C17 . H171 . 0.980 no
C17 . C41 . 1.530(7) yes
C17 . C42 . 1.525(7) yes
C17 . H172 . 0.979 no
C18 . C33 . 1.539(13) yes
C18 . C34 . 1.532(12) yes
C18 . H181 . 0.978 no
C21 . C22 . 1.407(5) yes
C21 . C26 . 1.400(6) yes
C22 . C23 . 1.395(6) yes
C22 . C27 . 1.525(6) yes
C23 . C24 . 1.373(7) yes
C23 . H231 . 0.938 no
C24 . C25 . 1.378(7) yes
C24 . H241 . 0.936 no
C25 . C26 . 1.391(6) yes
C25 . H251 . 0.929 no
C26 . C28 . 1.519(7) yes
C27 . C35 . 1.518(6) yes
C27 . C36 . 1.534(6) yes
C27 . H271 . 0.983 no
C28 . C37 . 1.524(9) yes
C28 . C38 . 1.521(10) yes
C28 . H281 . 0.979 no
C31 . H311 . 0.959 no
C31 . H312 . 0.962 no
C31 . H313 . 0.962 no
C32 . H321 . 0.964 no
C32 . H322 . 0.964 no
C32 . H323 . 0.963 no
C33 . H331 . 0.963 no
C33 . H332 . 0.961 no
C33 . H333 . 0.959 no
C34 . H341 . 0.959 no
C34 . H342 . 0.950 no
C34 . H343 . 0.967 no
C35 . H351 . 0.966 no
C35 . H352 . 0.964 no
C35 . H353 . 0.967 no
C36 . H361 . 0.960 no
C36 . H362 . 0.971 no
C36 . H363 . 0.963 no
C37 . H371 . 0.958 no
C37 . H372 . 0.964 no
C37 . H373 . 0.963 no
C38 . H381 . 0.947 no
C38 . H382 . 0.958 no
C38 . H383 . 0.949 no
C41 . H411 . 0.958 no
C41 . H412 . 0.957 no
C41 . H413 . 0.962 no
C42 . H421 . 0.963 no
C42 . H422 . 0.962 no
C42 . H423 . 0.961 no
P1 . C51 . 1.827(5) yes
P1 . C61 . 1.828(4) yes
P1 . C71 . 1.827(4) yes
P2 . C53 . 1.829(5) yes
P2 . C81 . 1.829(4) yes
P2 . C91 . 1.819(4) yes
C51 . C52 . 1.522(6) yes
C51 . H511 . 0.969 no
C51 . H512 . 0.970 no
C52 . C53 . 1.532(7) yes
C52 . H521 . 0.964 no
C52 . H522 . 0.965 no
C53 . H531 . 0.966 no
C53 . H532 . 0.965 no
C61 . C62 . 1.380(6) yes
C61 . C66 . 1.395(6) yes
C62 . C63 . 1.397(6) yes
C62 . H621 . 0.931 no
C63 . C64 . 1.371(8) yes
C63 . H631 . 0.936 no
C64 . C65 . 1.379(8) yes
C64 . H641 . 0.933 no
C65 . C66 . 1.392(7) yes
C65 . H651 . 0.930 no
C66 . H661 . 0.936 no
C71 . C72 . 1.374(6) yes
C71 . C76 . 1.380(7) yes
C72 . C73 . 1.383(7) yes
C72 . H721 . 0.931 no
C73 . C74 . 1.375(9) yes
C73 . H731 . 0.926 no
C74 . C75 . 1.371(10) yes
C74 . H741 . 0.931 no
C75 . C76 . 1.390(8) yes
C75 . H751 . 0.934 no
C76 . H761 . 0.923 no
C81 . C82 . 1.391(6) yes
C81 . C86 . 1.388(6) yes
C82 . C83 . 1.395(7) yes
C82 . H821 . 0.936 no
C83 . C84 . 1.375(8) yes
C83 . H831 . 0.933 no
C84 . C85 . 1.382(7) yes
C84 . H841 . 0.935 no
C85 . C86 . 1.387(6) yes
C85 . H851 . 0.935 no
C86 . H861 . 0.931 no
C91 . C92 . 1.391(6) yes
C91 . C96 . 1.392(6) yes
C92 . C93 . 1.390(7) yes
C92 . H921 . 0.936 no
C93 . C94 . 1.378(8) yes
C93 . H931 . 0.931 no
C94 . C95 . 1.378(7) yes
C94 . H941 . 0.927 no
C95 . C96 . 1.379(6) yes
C95 . H951 . 0.926 no
C96 . H961 . 0.933 no
B1 . C111 . 1.637(6) yes
B1 . C121 . 1.642(5) yes
B1 . C131 . 1.638(5) yes
B1 . C141 . 1.643(6) yes
C111 . C112 . 1.394(5) yes
C111 . C116 . 1.405(5) yes
C112 . C113 . 1.391(6) yes
C112 . H1121 . 0.930 no
C113 . C114 . 1.383(6) yes
C113 . C117 . 1.492(6) yes
C114 . C115 . 1.403(6) yes
C114 . H1141 . 0.930 no
C115 . C116 . 1.376(6) yes
C115 . C118 . 1.497(3) yes
C116 . H1161 . 0.940 no
C117 . F11 . 1.339(5) yes
C117 . F12 . 1.340(5) yes
C117 . F13 . 1.331(6) yes
C118 . F14 . 1.322(5) yes
C118 . F15 . 1.317(4) yes
C118 . F16 . 1.324(4) yes
C118 . F114 . 1.334(5) yes
C118 . F115 . 1.313(5) yes
C118 . F116 . 1.322(5) yes
C121 . C122 . 1.397(5) yes
C121 . C126 . 1.401(5) yes
C122 . C123 . 1.395(5) yes
C122 . H1221 . 0.926 no
C123 . C124 . 1.382(5) yes
C123 . C127 . 1.491(3) yes
C124 . C125 . 1.389(5) yes
C124 . H1241 . 0.933 no
C125 . C126 . 1.382(5) yes
C125 . C128 . 1.490(3) yes
C126 . H1261 . 0.940 no
C127 . F21 . 1.331(5) yes
C127 . F22 . 1.328(4) yes
C127 . F23 . 1.336(4) yes
C127 . F121 . 1.330(5) yes
C127 . F122 . 1.330(5) yes
C127 . F123 . 1.334(5) yes
C128 . F24 . 1.331(5) yes
C128 . F25 . 1.332(5) yes
C128 . F26 . 1.341(5) yes
C128 . F124 . 1.336(5) yes
C128 . F125 . 1.340(5) yes
C128 . F126 . 1.335(5) yes
C131 . C132 . 1.397(5) yes
C131 . C136 . 1.402(5) yes
C132 . C133 . 1.395(5) yes
C132 . H1321 . 0.937 no
C133 . C134 . 1.377(6) yes
C133 . C137 . 1.494(3) yes
C134 . C135 . 1.387(6) yes
C134 . H1341 . 0.925 no
C135 . C136 . 1.391(5) yes
C135 . C138 . 1.498(3) yes
C136 . H1361 . 0.936 no
C137 . F31 . 1.344(5) yes
C137 . F32 . 1.324(5) yes
C137 . F33 . 1.338(5) yes
C137 . F131 . 1.328(5) yes
C137 . F132 . 1.332(5) yes
C137 . F133 . 1.340(5) yes
C138 . F34 . 1.309(4) yes
C138 . F35 . 1.320(4) yes
C138 . F36 . 1.331(4) yes
C138 . F134 . 1.330(6) yes
C138 . F135 . 1.322(6) yes
C138 . F136 . 1.320(6) yes
C141 . C142 . 1.397(6) yes
C141 . C146 . 1.401(5) yes
C142 . C143 . 1.400(6) yes
C142 . H1421 . 0.923 no
C143 . C144 . 1.381(6) yes
C143 . C147 . 1.493(3) yes
C144 . C145 . 1.372(6) yes
C144 . H1441 . 0.925 no
C145 . C146 . 1.394(5) yes
C145 . C148 . 1.496(3) yes
C146 . H1461 . 0.933 no
C147 . F41 . 1.322(5) yes
C147 . F42 . 1.336(5) yes
C147 . F43 . 1.325(5) yes
C147 . F141 . 1.318(5) yes
C147 . F142 . 1.326(5) yes
C147 . F143 . 1.325(5) yes
C148 . F44 . 1.296(4) yes
C148 . F45 . 1.312(4) yes
C148 . F46 . 1.335(4) yes
C148 . F144 . 1.319(5) yes
C148 . F145 . 1.360(5) yes
C148 . F146 . 1.305(6) yes
