#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:14:24 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/56/7705683.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_7705683
loop_
_publ_author_name
'Wilson, Daniel W. N.'
'Myers, William K.'
'Goicoechea, Jose M.'
_publ_section_title
;
 Synthesis and decarbonylation chemistry of gallium phosphaketenes.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15249
_journal_page_last               15255
_journal_paper_doi               10.1039/d0dt03174g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C50 H69 Ga N4 P, 0.66(C4 H10)'
_chemical_formula_sum            'C52.67 H75.67 Ga N4 O0.67 P2'
_chemical_formula_weight         907.16
_chemical_name_systematic
;
 Ga(PPMe3)(Me2IPr)[(NDipp)2C12H5]*0.66OEt2
;
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-10-05 deposited with the CCDC.	2020-10-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   46.3247(5)
_cell_length_b                   46.3247(5)
_cell_length_c                   12.9618(2)
_cell_measurement_reflns_used    69285
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.1040
_cell_measurement_theta_min      3.5290
_cell_volume                     24089.1(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0274
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -57
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            264237
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.403
_diffrn_reflns_theta_min         3.584
_exptl_absorpt_coefficient_mu    1.541
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84496
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.126
_exptl_crystal_description       prism
_exptl_crystal_F_000             8748
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1637
_refine_ls_number_reflns         33572
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0754
_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)+(0.0480P)²+78.6176P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1845
_refine_ls_wR_factor_ref         0.1891
_reflns_Friedel_coverage         0.000
_reflns_number_gt                29810
_reflns_number_total             33572
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03174g2.cif
_cod_data_source_block           DW296_SQUEEZE
_cod_depositor_comments
'Adding full bibliography for 7705675--7705683.cif.'
_cod_original_cell_volume        24089.1(6)
_cod_database_code               7705683
_shelx_shelxl_version_number     2018/1
_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_min   0.578
_shelx_estimated_absorpt_t_max   0.861
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.48095(2) 0.86909(2) 0.16946(3) 0.02554(10) Uani 1 1 d . . . . .
P1 P 0.46243(3) 0.82159(3) 0.26945(9) 0.0367(2) Uani 1 1 d . . . . .
P2 P 0.42140(3) 0.81790(3) 0.34741(10) 0.0436(3) Uani 1 1 d . . . . .
N1 N 0.48870(8) 0.91129(8) 0.2289(2) 0.0309(7) Uani 1 1 d . . . . .
N2 N 0.45043(8) 0.87222(8) 0.0686(2) 0.0296(7) Uani 1 1 d . . . . .
N3 N 0.55152(8) 0.87852(8) 0.1703(3) 0.0315(7) Uani 1 1 d . . . . .
N4 N 0.52808(8) 0.85737(8) 0.0241(2) 0.0305(7) Uani 1 1 d . . . . .
C1 C 0.46601(10) 0.91838(10) 0.1794(3) 0.0301(8) Uani 1 1 d . . . . .
C2 C 0.44666(10) 0.89876(10) 0.1007(3) 0.0299(8) Uani 1 1 d . . . . .
C3 C 0.42286(11) 0.90937(11) 0.0683(3) 0.0356(9) Uani 1 1 d . . . . .
C4 C 0.42970(11) 0.93652(11) 0.1330(3) 0.0369(9) Uani 1 1 d . . . . .
C5 C 0.45604(11) 0.94363(10) 0.2023(3) 0.0346(9) Uani 1 1 d . . . . .
C6 C 0.46624(12) 0.97001(11) 0.2690(4) 0.0421(10) Uani 1 1 d . . . . .
H6 H 0.484171 0.975790 0.315538 0.051 Uiso 1 1 calc R U . . .
C7 C 0.44905(13) 0.98859(12) 0.2666(4) 0.0460(11) Uani 1 1 d . . . . .
H7 H 0.455799 1.006847 0.312498 0.055 Uiso 1 1 calc R U . . .
C8 C 0.42327(13) 0.98079(13) 0.2001(4) 0.0541(14) Uani 1 1 d . . . . .
H8 H 0.412238 0.993405 0.202176 0.065 Uiso 1 1 calc R U . . .
C9 C 0.41256(12) 0.95425(12) 0.1280(4) 0.0449(11) Uani 1 1 d . . . . .
C10 C 0.38694(12) 0.94322(13) 0.0552(4) 0.0495(13) Uani 1 1 d . . . . .
H10 H 0.374304 0.954182 0.049732 0.059 Uiso 1 1 calc R U . . .
C11 C 0.37979(12) 0.91689(15) -0.0085(4) 0.0505(13) Uani 1 1 d . . . . .
H11 H 0.362367 0.910147 -0.057601 0.061 Uiso 1 1 calc R U . . .
C12 C 0.39771(11) 0.89924(13) -0.0032(3) 0.0421(10) Uani 1 1 d . . . . .
H12 H 0.392386 0.881001 -0.047950 0.050 Uiso 1 1 calc R U . . .
C13 C 0.51719(11) 0.93870(11) 0.2732(3) 0.0367(9) Uani 1 1 d . . . . .
C14 C 0.52126(13) 0.93988(14) 0.3808(4) 0.0475(11) Uani 1 1 d . . . . .
C15 C 0.54804(16) 0.96916(17) 0.4237(4) 0.0675(17) Uani 1 1 d . . . . .
H15 H 0.550697 0.970919 0.496475 0.081 Uiso 1 1 calc R U . . .
C16 C 0.57015(16) 0.99493(17) 0.3632(5) 0.0724(19) Uani 1 1 d . . . . .
H16 H 0.588152 1.014065 0.394127 0.087 Uiso 1 1 calc R U . . .
C17 C 0.56642(14) 0.99325(14) 0.2582(4) 0.0567(13) Uani 1 1 d . . . . .
H17 H 0.581615 1.011603 0.217155 0.068 Uiso 1 1 calc R U . . .
C18 C 0.54081(11) 0.96519(11) 0.2102(4) 0.0397(10) Uani 1 1 d . . . . .
C19 C 0.49726(15) 0.91182(16) 0.4493(3) 0.0550(14) Uani 1 1 d . . . . .
H19 H 0.486101 0.891195 0.406078 0.066 Uiso 1 1 calc R U . . .
C20 C 0.51408(19) 0.9048(2) 0.5395(5) 0.082(2) Uani 1 1 d . . . . .
H20A H 0.497176 0.886384 0.580874 0.123 Uiso 1 1 calc R U . . .
H20B H 0.530159 0.898760 0.513008 0.123 Uiso 1 1 calc R U . . .
H20C H 0.525698 0.924792 0.582655 0.123 Uiso 1 1 calc R U . . .
C21 C 0.47010(17) 0.91862(19) 0.4892(4) 0.0708(18) Uani 1 1 d . . . . .
H21A H 0.454703 0.900177 0.533545 0.106 Uiso 1 1 calc R U . . .
H21B H 0.480392 0.939418 0.528841 0.106 Uiso 1 1 calc R U . . .
H21C H 0.457826 0.920630 0.430628 0.106 Uiso 1 1 calc R U . . .
C22 C 0.53933(11) 0.96335(11) 0.0938(3) 0.0370(9) Uani 1 1 d . . . . .
H22 H 0.521239 0.940565 0.073705 0.044 Uiso 1 1 calc R U . . .
C23 C 0.57228(12) 0.96852(12) 0.0494(4) 0.0435(10) Uani 1 1 d . . . . .
H23A H 0.570853 0.967249 -0.026068 0.065 Uiso 1 1 calc R U . . .
H23B H 0.590515 0.990458 0.070131 0.065 Uiso 1 1 calc R U . . .
H23C H 0.576513 0.951147 0.075709 0.065 Uiso 1 1 calc R U . . .
C24 C 0.53085(13) 0.98883(13) 0.0484(4) 0.0475(11) Uani 1 1 d . . . . .
H24A H 0.530051 0.987107 -0.027035 0.071 Uiso 1 1 calc R U . . .
H24B H 0.509107 0.984292 0.074418 0.071 Uiso 1 1 calc R U . . .
H24C H 0.547966 1.011364 0.068774 0.071 Uiso 1 1 calc R U . . .
C25 C 0.43901(10) 0.85843(11) -0.0313(3) 0.0326(8) Uani 1 1 d . . . . .
C26 C 0.41473(11) 0.82470(12) -0.0423(4) 0.0416(10) Uani 1 1 d . . . . .
C27 C 0.40609(13) 0.81084(14) -0.1405(4) 0.0527(12) Uani 1 1 d . . . . .
H27 H 0.389866 0.787923 -0.147549 0.063 Uiso 1 1 calc R U . . .
C28 C 0.42048(13) 0.82952(14) -0.2279(4) 0.0538(13) Uani 1 1 d . . . . .
H28 H 0.414907 0.819448 -0.294248 0.065 Uiso 1 1 calc R U . . .
C29 C 0.44290(12) 0.86277(13) -0.2178(3) 0.0425(10) Uani 1 1 d . . . . .
H29 H 0.452087 0.875815 -0.278192 0.051 Uiso 1 1 calc R U . . .
C30 C 0.45274(10) 0.87818(11) -0.1217(3) 0.0356(9) Uani 1 1 d . . . . .
C31 C 0.39566(12) 0.80415(13) 0.0510(4) 0.0498(12) Uani 1 1 d . . . . .
H31 H 0.410766 0.813305 0.112132 0.060 Uiso 1 1 calc R U . . .
C32 C 0.3853(2) 0.76729(17) 0.0412(6) 0.091(2) Uani 1 1 d . . . . .
H32A H 0.373199 0.755324 0.103299 0.136 Uiso 1 1 calc R U . . .
H32B H 0.370962 0.757730 -0.019327 0.136 Uiso 1 1 calc R U . . .
H32C H 0.405285 0.765238 0.033288 0.136 Uiso 1 1 calc R U . . .
C33 C 0.36573(14) 0.80916(19) 0.0702(5) 0.0704(18) Uani 1 1 d . . . . .
H33A H 0.353212 0.796019 0.130293 0.106 Uiso 1 1 calc R U . . .
H33B H 0.373682 0.832808 0.083148 0.106 Uiso 1 1 calc R U . . .
H33C H 0.351203 0.801847 0.009426 0.106 Uiso 1 1 calc R U . . .
C34 C 0.47829(11) 0.91502(11) -0.1175(3) 0.0355(9) Uani 1 1 d . . . . .
H34 H 0.479882 0.922547 -0.044386 0.043 Uiso 1 1 calc R U . . .
C35 C 0.51282(12) 0.92161(12) -0.1503(4) 0.0434(10) Uani 1 1 d . . . . .
H35A H 0.528766 0.945577 -0.146861 0.065 Uiso 1 1 calc R U . . .
H35B H 0.520033 0.909710 -0.103980 0.065 Uiso 1 1 calc R U . . .
H35C H 0.511773 0.913749 -0.221187 0.065 Uiso 1 1 calc R U . . .
C36 C 0.46824(13) 0.93593(13) -0.1842(4) 0.0462(11) Uani 1 1 d . . . . .
H36A H 0.485400 0.959506 -0.179244 0.069 Uiso 1 1 calc R U . . .
H36B H 0.465976 0.928659 -0.256211 0.069 Uiso 1 1 calc R U . . .
H36C H 0.446914 0.932998 -0.159747 0.069 Uiso 1 1 calc R U . . .
C37 C 0.52394(9) 0.87029(9) 0.1126(3) 0.0263(7) Uani 1 1 d . . . . .
C38 C 0.57303(10) 0.87097(11) 0.1173(4) 0.0384(9) Uani 1 1 d . . . . .
C39 C 0.55838(11) 0.85757(12) 0.0261(4) 0.0394(10) Uani 1 1 d . . . . .
C40 C 0.60561(12) 0.87657(16) 0.1579(5) 0.0575(14) Uani 1 1 d . . . . .
H40A H 0.609584 0.886751 0.226492 0.086 Uiso 1 1 calc R U . . .
H40B H 0.605070 0.855196 0.162586 0.086 Uiso 1 1 calc R U . . .
H40C H 0.623562 0.891456 0.111144 0.086 Uiso 1 1 calc R U . . .
C41 C 0.57137(14) 0.84542(15) -0.0593(4) 0.0553(13) Uani 1 1 d . . . . .
H41A H 0.577364 0.860529 -0.118422 0.083 Uiso 1 1 calc R U . . .
H41B H 0.554120 0.822975 -0.079974 0.083 Uiso 1 1 calc R U . . .
H41C H 0.591116 0.844793 -0.035351 0.083 Uiso 1 1 calc R U . . .
C42 C 0.55583(11) 0.89132(11) 0.2777(3) 0.0368(9) Uani 1 1 d . . . . .
H42 H 0.536897 0.895357 0.291569 0.044 Uiso 1 1 calc R U . . .
C43 C 0.55228(12) 0.86463(13) 0.3537(4) 0.0449(11) Uani 1 1 d . . . . .
H43A H 0.555152 0.873290 0.424222 0.067 Uiso 1 1 calc R U . . .
H43B H 0.530092 0.844912 0.346635 0.067 Uiso 1 1 calc R U . . .
H43C H 0.569306 0.858540 0.339137 0.067 Uiso 1 1 calc R U . . .
C44 C 0.58777(13) 0.92463(13) 0.2921(4) 0.0551(13) Uani 1 1 d . . . . .
H44A H 0.589390 0.931919 0.363928 0.083 Uiso 1 1 calc R U . . .
H44B H 0.607029 0.922116 0.275423 0.083 Uiso 1 1 calc R U . . .
H44C H 0.587434 0.941283 0.246280 0.083 Uiso 1 1 calc R U . . .
C45 C 0.50068(11) 0.83991(12) -0.0505(3) 0.0387(9) Uani 1 1 d . . . . .
H45 H 0.485566 0.849359 -0.042377 0.046 Uiso 1 1 calc R U . . .
C46 C 0.48049(13) 0.80333(12) -0.0232(4) 0.0501(12) Uani 1 1 d . . . . .
H46A H 0.462352 0.791916 -0.073144 0.075 Uiso 1 1 calc R U . . .
H46B H 0.494906 0.793464 -0.024969 0.075 Uiso 1 1 calc R U . . .
H46C H 0.471139 0.800911 0.046160 0.075 Uiso 1 1 calc R U . . .
C47 C 0.51205(15) 0.84522(15) -0.1635(4) 0.0546(13) Uani 1 1 d . . . . .
H47A H 0.530174 0.868210 -0.172966 0.082 Uiso 1 1 calc R U . . .
H47B H 0.493289 0.841043 -0.208157 0.082 Uiso 1 1 calc R U . . .
H47C H 0.519950 0.829790 -0.181420 0.082 Uiso 1 1 calc R U . . .
C48 C 0.42644(16) 0.82081(19) 0.4872(4) 0.0675(18) Uani 1 1 d . . . . .
H48A H 0.433505 0.805195 0.510801 0.101 Uiso 1 1 calc R U . . .
H48B H 0.443359 0.843573 0.506225 0.101 Uiso 1 1 calc R U . . .
H48C H 0.405177 0.815224 0.519750 0.101 Uiso 1 1 calc R U . . .
C49 C 0.38411(14) 0.77757(14) 0.3316(5) 0.0650(17) Uani 1 1 d . . . . .
H49A H 0.389268 0.759909 0.346677 0.097 Uiso 1 1 calc R U . . .
H49B H 0.366827 0.775771 0.379095 0.097 Uiso 1 1 calc R U . . .
H49C H 0.376085 0.775241 0.260424 0.097 Uiso 1 1 calc R U . . .
C50 C 0.40852(13) 0.84788(14) 0.3176(4) 0.0487(12) Uani 1 1 d . . . . .
H50A H 0.427602 0.870487 0.324570 0.073 Uiso 1 1 calc R U . . .
H50B H 0.400114 0.844452 0.246624 0.073 Uiso 1 1 calc R U . . .
H50C H 0.390856 0.844982 0.365294 0.073 Uiso 1 1 calc R U . . .
Ga11 Ga 0.53691(2) 0.72540(2) 0.43374(3) 0.02247(10) Uani 1 1 d . . . . .
P101 P 0.48520(2) 0.69570(2) 0.35532(8) 0.0298(2) Uani 1 1 d . . . . .
P102 P 0.47989(3) 0.73207(3) 0.27748(8) 0.0330(2) Uani 1 1 d . . . . .
N101 N 0.54727(8) 0.76324(7) 0.5266(2) 0.0240(6) Uani 1 1 d . . . . .
N102 N 0.57819(7) 0.75531(7) 0.3585(2) 0.0246(6) Uani 1 1 d . . . . .
N103 N 0.52169(8) 0.66658(8) 0.5841(2) 0.0297(7) Uani 1 1 d . . . . .
N104 N 0.54068(8) 0.66085(8) 0.4385(2) 0.0270(6) Uani 1 1 d . . . . .
C101 C 0.57466(9) 0.79094(9) 0.4847(3) 0.0246(7) Uani 1 1 d . . . . .
C102 C 0.59034(9) 0.78686(9) 0.4002(3) 0.0254(7) Uani 1 1 d . . . . .
C103 C 0.61746(9) 0.81964(9) 0.3677(3) 0.0278(8) Uani 1 1 d . . . . .
C104 C 0.61662(9) 0.84303(9) 0.4371(3) 0.0283(8) Uani 1 1 d . . . . .
C105 C 0.59038(10) 0.82658(9) 0.5102(3) 0.0275(8) Uani 1 1 d . . . . .
C106 C 0.58631(11) 0.84590(10) 0.5827(3) 0.0328(8) Uani 1 1 d . . . . .
H106 H 0.569199 0.836007 0.633107 0.039 Uiso 1 1 calc R U . . .
C107 C 0.60818(12) 0.88096(11) 0.5808(3) 0.0379(9) Uani 1 1 d . . . . .
H107 H 0.605105 0.894173 0.630779 0.046 Uiso 1 1 calc R U . . .
C108 C 0.63339(11) 0.89665(10) 0.5108(3) 0.0390(10) Uani 1 1 d . . . . .
H108 H 0.647435 0.920172 0.512691 0.047 Uiso 1 1 calc R U . . .
C109 C 0.63840(10) 0.87720(10) 0.4345(3) 0.0344(9) Uani 1 1 d . . . . .
C110 C 0.66322(10) 0.88898(10) 0.3556(3) 0.0374(9) Uani 1 1 d . . . . .
H110 H 0.678772 0.912127 0.349602 0.045 Uiso 1 1 calc R U . . .
C111 C 0.66455(10) 0.86697(11) 0.2888(3) 0.0371(9) Uani 1 1 d . . . . .
H111 H 0.681261 0.875344 0.236885 0.045 Uiso 1 1 calc R U . . .
C112 C 0.64208(10) 0.83202(10) 0.2933(3) 0.0332(8) Uani 1 1 d . . . . .
H112 H 0.643979 0.817425 0.245913 0.040 Uiso 1 1 calc R U . . .
C113 C 0.53922(10) 0.76382(9) 0.6329(3) 0.0262(7) Uani 1 1 d . . . . .
C114 C 0.50704(10) 0.75772(10) 0.6594(3) 0.0327(8) Uani 1 1 d . . . . .
C115 C 0.49817(12) 0.75474(12) 0.7635(3) 0.0420(10) Uani 1 1 d . . . . .
H115 H 0.476343 0.749892 0.781778 0.050 Uiso 1 1 calc R U . . .
C116 C 0.52041(13) 0.75868(12) 0.8399(3) 0.0442(11) Uani 1 1 d . . . . .
H116 H 0.513638 0.755764 0.910087 0.053 Uiso 1 1 calc R U . . .
C117 C 0.55249(12) 0.76685(11) 0.8148(3) 0.0369(9) Uani 1 1 d . . . . .
H117 H 0.568101 0.770848 0.868183 0.044 Uiso 1 1 calc R U . . .
C118 C 0.56238(10) 0.76933(9) 0.7118(3) 0.0288(8) Uani 1 1 d . . . . .
C119 C 0.48339(10) 0.75683(12) 0.5768(3) 0.0379(9) Uani 1 1 d . . . . .
H119 H 0.486330 0.746034 0.514024 0.045 Uiso 1 1 calc R U . . .
C120 C 0.44665(13) 0.73714(18) 0.6088(5) 0.0677(17) Uani 1 1 d . . . . .
H12A H 0.432723 0.737498 0.552428 0.102 Uiso 1 1 calc R U . . .
H12B H 0.440519 0.714034 0.623833 0.102 Uiso 1 1 calc R U . . .
H12C H 0.443209 0.747284 0.670439 0.102 Uiso 1 1 calc R U . . .
C121 C 0.49288(14) 0.79259(13) 0.5487(4) 0.0480(12) Uani 1 1 d . . . . .
H12D H 0.477698 0.792215 0.495407 0.072 Uiso 1 1 calc R U . . .
H12E H 0.491207 0.804007 0.610173 0.072 Uiso 1 1 calc R U . . .
H12F H 0.515801 0.804456 0.522672 0.072 Uiso 1 1 calc R U . . .
C122 C 0.59794(10) 0.77710(11) 0.6913(3) 0.0341(9) Uani 1 1 d . . . . .
H122 H 0.601740 0.779223 0.615077 0.041 Uiso 1 1 calc R U . . .
C123 C 0.60316(12) 0.74892(12) 0.7297(4) 0.0410(10) Uani 1 1 d . . . . .
H12G H 0.626151 0.754434 0.715802 0.062 Uiso 1 1 calc R U . . .
H12H H 0.598931 0.745996 0.804143 0.062 Uiso 1 1 calc R U . . .
H12I H 0.587736 0.728213 0.693932 0.062 Uiso 1 1 calc R U . . .
C124 C 0.62363(13) 0.81005(12) 0.7417(4) 0.0513(12) Uani 1 1 d . . . . .
H12J H 0.646158 0.814238 0.726936 0.077 Uiso 1 1 calc R U . . .
H12K H 0.621082 0.828313 0.713744 0.077 Uiso 1 1 calc R U . . .
H12L H 0.620067 0.808650 0.816445 0.077 Uiso 1 1 calc R U . . .
C125 C 0.60088(9) 0.74948(9) 0.2995(3) 0.0267(7) Uani 1 1 d . . . . .
C126 C 0.59477(10) 0.74226(10) 0.1929(3) 0.0317(8) Uani 1 1 d . . . . .
C127 C 0.61759(12) 0.73743(11) 0.1359(3) 0.0408(10) Uani 1 1 d . . . . .
H127 H 0.613624 0.732227 0.064616 0.049 Uiso 1 1 calc R U . . .
C128 C 0.64590(12) 0.74008(12) 0.1813(4) 0.0462(11) Uani 1 1 d . . . . .
H128 H 0.661501 0.737428 0.140754 0.055 Uiso 1 1 calc R U . . .
C129 C 0.65130(11) 0.74649(11) 0.2843(4) 0.0401(10) Uani 1 1 d . . . . .
H129 H 0.670717 0.748108 0.314765 0.048 Uiso 1 1 calc R U . . .
C130 C 0.62896(10) 0.75076(10) 0.3465(3) 0.0314(8) Uani 1 1 d . . . . .
C131 C 0.56522(11) 0.74135(11) 0.1405(3) 0.0353(9) Uani 1 1 d . . . . .
H131 H 0.546962 0.733943 0.192693 0.042 Uiso 1 1 calc R U . . .
C132 C 0.55165(14) 0.71682(13) 0.0488(4) 0.0504(12) Uani 1 1 d . . . . .
H13A H 0.532585 0.717363 0.018168 0.076 Uiso 1 1 calc R U . . .
H13B H 0.569196 0.723323 -0.003194 0.076 Uiso 1 1 calc R U . . .
H13C H 0.544567 0.694219 0.073173 0.076 Uiso 1 1 calc R U . . .
C133 C 0.57431(12) 0.77639(11) 0.1049(3) 0.0401(10) Uani 1 1 d . . . . .
H13D H 0.555023 0.775600 0.070998 0.060 Uiso 1 1 calc R U . . .
H13E H 0.580786 0.791288 0.164723 0.060 Uiso 1 1 calc R U . . .
H13F H 0.592959 0.784725 0.056184 0.060 Uiso 1 1 calc R U . . .
C134 C 0.63538(11) 0.75579(11) 0.4623(3) 0.0378(9) Uani 1 1 d . . . . .
H134 H 0.616282 0.756882 0.494020 0.045 Uiso 1 1 calc R U . . .
C135 C 0.63671(13) 0.72669(13) 0.5112(4) 0.0468(11) Uani 1 1 d . . . . .
H13G H 0.616161 0.705895 0.495060 0.070 Uiso 1 1 calc R U . . .
H13H H 0.655886 0.725638 0.483839 0.070 Uiso 1 1 calc R U . . .
H13I H 0.638924 0.729750 0.586123 0.070 Uiso 1 1 calc R U . . .
C136 C 0.66700(14) 0.78844(14) 0.4860(5) 0.0635(16) Uani 1 1 d . . . . .
H13J H 0.665700 0.806906 0.453869 0.095 Uiso 1 1 calc R U . . .
H13K H 0.669357 0.791783 0.560851 0.095 Uiso 1 1 calc R U . . .
H13L H 0.686319 0.787671 0.458567 0.095 Uiso 1 1 calc R U . . .
C137 C 0.53546(9) 0.68261(9) 0.4942(3) 0.0248(7) Uani 1 1 d . . . . .
C138 C 0.51841(11) 0.63498(10) 0.5844(3) 0.0353(9) Uani 1 1 d . . . . .
C139 C 0.53051(10) 0.63169(10) 0.4930(3) 0.0335(8) Uani 1 1 d . . . . .
C140 C 0.50440(15) 0.61057(12) 0.6716(4) 0.0517(13) Uani 1 1 d . . . . .
H14A H 0.497652 0.620145 0.727640 0.078 Uiso 1 1 calc R U . . .
H14B H 0.484982 0.589965 0.647370 0.078 Uiso 1 1 calc R U . . .
H14C H 0.521401 0.605627 0.696916 0.078 Uiso 1 1 calc R U . . .
C141 C 0.53362(13) 0.60270(11) 0.4553(4) 0.0465(11) Uani 1 1 d . . . . .
H14D H 0.557247 0.609453 0.448928 0.070 Uiso 1 1 calc R U . . .
H14E H 0.522776 0.595484 0.387900 0.070 Uiso 1 1 calc R U . . .
H14F H 0.522864 0.584257 0.504609 0.070 Uiso 1 1 calc R U . . .
C142 C 0.50800(12) 0.68010(10) 0.6618(3) 0.0382(10) Uani 1 1 d . . . . .
H142 H 0.518021 0.704431 0.646893 0.046 Uiso 1 1 calc R U . . .
C143 C 0.47063(13) 0.66453(13) 0.6472(4) 0.0510(12) Uani 1 1 d . . . . .
H14G H 0.461773 0.673551 0.698706 0.077 Uiso 1 1 calc R U . . .
H14H H 0.466045 0.669665 0.577853 0.077 Uiso 1 1 calc R U . . .
H14I H 0.459950 0.640306 0.655603 0.077 Uiso 1 1 calc R U . . .
C144 C 0.51739(15) 0.67724(12) 0.7729(3) 0.0508(13) Uani 1 1 d . . . . .
H14J H 0.502324 0.654722 0.798889 0.076 Uiso 1 1 calc R U . . .
H14K H 0.515482 0.693550 0.816249 0.076 Uiso 1 1 calc R U . . .
H14L H 0.540385 0.681620 0.774897 0.076 Uiso 1 1 calc R U . . .
C145 C 0.55214(10) 0.66709(10) 0.3291(3) 0.0310(8) Uani 1 1 d . . . . .
H145 H 0.559449 0.690943 0.313959 0.037 Uiso 1 1 calc R U . . .
C146 C 0.52339(11) 0.64605(11) 0.2568(3) 0.0369(9) Uani 1 1 d . . . . .
H14M H 0.531308 0.650426 0.185308 0.055 Uiso 1 1 calc R U . . .
H14N H 0.514474 0.622393 0.272565 0.055 Uiso 1 1 calc R U . . .
H14O H 0.505815 0.651735 0.265897 0.055 Uiso 1 1 calc R U . . .
C147 C 0.58207(11) 0.66256(11) 0.3101(4) 0.0424(10) Uani 1 1 d . . . . .
H14P H 0.597473 0.671644 0.368558 0.064 Uiso 1 1 calc R U . . .
H14Q H 0.593482 0.674347 0.246865 0.064 Uiso 1 1 calc R U . . .
H14R H 0.574520 0.638776 0.302589 0.064 Uiso 1 1 calc R U . . .
C148 C 0.44148(12) 0.73132(13) 0.3117(5) 0.0531(13) Uani 1 1 d . . . . .
H14S H 0.422694 0.708518 0.305367 0.080 Uiso 1 1 calc R U . . .
H14T H 0.442949 0.738998 0.382975 0.080 Uiso 1 1 calc R U . . .
H14U H 0.438071 0.746037 0.265212 0.080 Uiso 1 1 calc R U . . .
C149 C 0.47550(15) 0.72604(13) 0.1392(4) 0.0517(13) Uani 1 1 d . . . . .
H14V H 0.458001 0.703147 0.124041 0.078 Uiso 1 1 calc R U . . .
H14W H 0.469457 0.741694 0.108942 0.078 Uiso 1 1 calc R U . . .
H14$ H 0.496648 0.730014 0.109604 0.078 Uiso 1 1 calc R U . . .
C150 C 0.51253(11) 0.77475(10) 0.2916(3) 0.0368(9) Uani 1 1 d . . . . .
H15A H 0.516651 0.780286 0.365110 0.055 Uiso 1 1 calc R U . . .
H15B H 0.532948 0.777758 0.259076 0.055 Uiso 1 1 calc R U . . .
H15C H 0.505757 0.789439 0.258413 0.055 Uiso 1 1 calc R U . . .
Ga21 Ga 0.80201(2) 0.95959(2) 0.85600(3) 0.02235(10) Uani 1 1 d . . . . .
P201 P 0.85363(2) 0.98676(2) 0.93676(9) 0.0318(2) Uani 1 1 d . . . . .
P202 P 0.85633(3) 0.94856(3) 1.01307(9) 0.0333(2) Uani 1 1 d . . . . .
N201 N 0.76018(7) 0.93042(8) 0.9302(2) 0.0257(6) Uani 1 1 d . . . . .
N202 N 0.79088(7) 0.92191(7) 0.7623(2) 0.0239(6) Uani 1 1 d . . . . .
N203 N 0.80307(8) 1.02652(8) 0.8552(2) 0.0265(6) Uani 1 1 d . . . . .
N204 N 0.81775(8) 1.01843(8) 0.7053(2) 0.0300(7) Uani 1 1 d . . . . .
C201 C 0.74743(9) 0.89875(9) 0.8882(3) 0.0234(7) Uani 1 1 d . . . . .
C202 C 0.76310(9) 0.89441(9) 0.8038(3) 0.0239(7) Uani 1 1 d . . . . .
C203 C 0.74716(9) 0.85887(9) 0.7789(3) 0.0265(7) Uani 1 1 d . . . . .
C204 C 0.72071(9) 0.84259(9) 0.8512(3) 0.0267(7) Uani 1 1 d . . . . .
C205 C 0.71989(9) 0.86626(9) 0.9204(3) 0.0263(7) Uani 1 1 d . . . . .
C206 C 0.69515(10) 0.85432(10) 0.9946(3) 0.0317(8) Uani 1 1 d . . . . .
H206 H 0.693382 0.869092 1.041635 0.038 Uiso 1 1 calc R U . . .
C207 C 0.67229(10) 0.81925(11) 0.9990(3) 0.0378(9) Uani 1 1 d . . . . .
H207 H 0.655213 0.811022 1.049757 0.045 Uiso 1 1 calc R U . . .
C208 C 0.67398(10) 0.79697(10) 0.9330(3) 0.0368(9) Uani 1 1 d . . . . .
H208 H 0.658576 0.773805 0.939646 0.044 Uiso 1 1 calc R U . . .
C209 C 0.69885(10) 0.80860(10) 0.8544(3) 0.0322(8) Uani 1 1 d . . . . .
C210 C 0.70415(11) 0.78907(10) 0.7799(3) 0.0380(10) Uani 1 1 d . . . . .
H210 H 0.690083 0.765539 0.779120 0.046 Uiso 1 1 calc R U . . .
C211 C 0.72932(12) 0.80404(10) 0.7100(3) 0.0379(10) Uani 1 1 d . . . . .
H211 H 0.732318 0.790573 0.660735 0.046 Uiso 1 1 calc R U . . .
C212 C 0.75140(11) 0.83932(10) 0.7079(3) 0.0314(8) Uani 1 1 d . . . . .
H212 H 0.768746 0.849065 0.658110 0.038 Uiso 1 1 calc R U . . .
C213 C 0.73813(9) 0.93699(9) 0.9892(3) 0.0262(7) Uani 1 1 d . . . . .
C214 C 0.74429(10) 0.94415(9) 1.0961(3) 0.0304(8) Uani 1 1 d . . . . .
C215 C 0.72155(12) 0.94913(11) 1.1527(3) 0.0408(10) Uani 1 1 d . . . . .
H215 H 0.725475 0.954075 1.224151 0.049 Uiso 1 1 calc R U . . .
C216 C 0.69378(12) 0.94714(12) 1.1086(4) 0.0454(11) Uani 1 1 d . . . . .
H216 H 0.678543 0.950262 1.149548 0.055 Uiso 1 1 calc R U . . .
C217 C 0.68799(11) 0.94057(11) 1.0045(4) 0.0419(10) Uani 1 1 d . . . . .
H217 H 0.668611 0.939084 0.974287 0.050 Uiso 1 1 calc R U . . .
C218 C 0.71018(10) 0.93607(10) 0.9429(3) 0.0315(8) Uani 1 1 d . . . . .
C219 C 0.77352(11) 0.94425(10) 1.1490(3) 0.0348(9) Uani 1 1 d . . . . .
H219 H 0.791687 0.950943 1.096855 0.042 Uiso 1 1 calc R U . . .
C220 C 0.78764(13) 0.96890(12) 1.2398(3) 0.0471(11) Uani 1 1 d . . . . .
H22A H 0.806391 0.967827 1.270691 0.071 Uiso 1 1 calc R U . . .
H22B H 0.795331 0.991562 1.214720 0.071 Uiso 1 1 calc R U . . .
H22C H 0.770199 0.963014 1.291731 0.071 Uiso 1 1 calc R U . . .
C221 C 0.76301(12) 0.90895(11) 1.1850(3) 0.0403(10) Uani 1 1 d . . . . .
H22D H 0.781844 0.908895 1.219256 0.061 Uiso 1 1 calc R U . . .
H22E H 0.744380 0.901336 1.233526 0.061 Uiso 1 1 calc R U . . .
H22F H 0.756059 0.893960 1.125333 0.061 Uiso 1 1 calc R U . . .
C222 C 0.70357(11) 0.93120(12) 0.8269(3) 0.0392(10) Uani 1 1 d . . . . .
H222 H 0.722203 0.929287 0.795079 0.047 Uiso 1 1 calc R U . . .
C223 C 0.70347(14) 0.96101(13) 0.7776(4) 0.0494(12) Uani 1 1 d . . . . .
H22G H 0.724427 0.981384 0.793685 0.074 Uiso 1 1 calc R U . . .
H22H H 0.701196 0.957943 0.702651 0.074 Uiso 1 1 calc R U . . .
H22I H 0.684729 0.962875 0.804787 0.074 Uiso 1 1 calc R U . . .
C224 C 0.67117(16) 0.89901(14) 0.8032(5) 0.0679(18) Uani 1 1 d . . . . .
H22J H 0.671713 0.880160 0.835540 0.102 Uiso 1 1 calc R U . . .
H22K H 0.652267 0.900567 0.830518 0.102 Uiso 1 1 calc R U . . .
H22L H 0.668734 0.895634 0.728382 0.102 Uiso 1 1 calc R U . . .
C225 C 0.79877(10) 0.92082(9) 0.6560(3) 0.0260(7) Uani 1 1 d . . . . .
C226 C 0.83053(10) 0.92586(10) 0.6296(3) 0.0318(8) Uani 1 1 d . . . . .
C227 C 0.83942(12) 0.92827(12) 0.5259(3) 0.0417(10) Uani 1 1 d . . . . .
H227 H 0.861008 0.932318 0.507832 0.050 Uiso 1 1 calc R U . . .
C228 C 0.81705(13) 0.92480(12) 0.4484(3) 0.0437(11) Uani 1 1 d . . . . .
H228 H 0.823594 0.927187 0.377999 0.052 Uiso 1 1 calc R U . . .
C229 C 0.78569(12) 0.91798(11) 0.4741(3) 0.0364(9) Uani 1 1 d . . . . .
H229 H 0.770215 0.914462 0.420748 0.044 Uiso 1 1 calc R U . . .
C230 C 0.77568(10) 0.91600(9) 0.5774(3) 0.0287(8) Uani 1 1 d . . . . .
C231 C 0.85410(11) 0.92621(12) 0.7126(4) 0.0395(10) Uani 1 1 d . . . . .
H231 H 0.850793 0.936519 0.776024 0.047 Uiso 1 1 calc R U . . .
C232 C 0.89077(13) 0.94659(18) 0.6824(5) 0.0687(17) Uani 1 1 d . . . . .
H23D H 0.904595 0.945882 0.738490 0.103 Uiso 1 1 calc R U . . .
H23E H 0.894651 0.937236 0.619646 0.103 Uiso 1 1 calc R U . . .
H23F H 0.896613 0.969744 0.669757 0.103 Uiso 1 1 calc R U . . .
C233 C 0.84455(14) 0.89025(14) 0.7391(4) 0.0548(13) Uani 1 1 d . . . . .
H23G H 0.820932 0.877661 0.758270 0.082 Uiso 1 1 calc R U . . .
H23H H 0.848437 0.879815 0.679034 0.082 Uiso 1 1 calc R U . . .
H23I H 0.858167 0.890302 0.797072 0.082 Uiso 1 1 calc R U . . .
C234 C 0.74039(10) 0.90908(11) 0.5972(3) 0.0331(8) Uani 1 1 d . . . . .
H234 H 0.736774 0.907500 0.673530 0.040 Uiso 1 1 calc R U . . .
C235 C 0.73556(12) 0.93746(12) 0.5574(3) 0.0401(10) Uani 1 1 d . . . . .
H23J H 0.712661 0.932275 0.571254 0.060 Uiso 1 1 calc R U . . .
H23K H 0.751191 0.958226 0.592496 0.060 Uiso 1 1 calc R U . . .
H23L H 0.739725 0.940053 0.482916 0.060 Uiso 1 1 calc R U . . .
C236 C 0.71411(13) 0.87583(12) 0.5494(4) 0.0494(12) Uani 1 1 d . . . . .
H23M H 0.691784 0.872245 0.563745 0.074 Uiso 1 1 calc R U . . .
H23N H 0.717530 0.876455 0.474663 0.074 Uiso 1 1 calc R U . . .
H23O H 0.716276 0.857577 0.579419 0.074 Uiso 1 1 calc R U . . .
C237 C 0.80538(9) 1.00341(9) 0.7968(3) 0.0253(7) Uani 1 1 d . . . . .
C238 C 0.81444(10) 1.05602(10) 0.8003(3) 0.0330(8) Uani 1 1 d . . . . .
C239 C 0.82351(10) 1.05085(10) 0.7064(3) 0.0341(9) Uani 1 1 d . . . . .
C240 C 0.81571(12) 1.08695(11) 0.8409(4) 0.0419(10) Uani 1 1 d . . . . .
H24D H 0.807436 1.083138 0.912069 0.063 Uiso 1 1 calc R U . . .
H24E H 0.838770 1.105449 0.839446 0.063 Uiso 1 1 calc R U . . .
H24F H 0.801757 1.092476 0.797872 0.063 Uiso 1 1 calc R U . . .
C241 C 0.83680(13) 1.07474(11) 0.6177(4) 0.0464(11) Uani 1 1 d . . . . .
H24G H 0.819938 1.067294 0.563106 0.070 Uiso 1 1 calc R U . . .
H24H H 0.856965 1.075550 0.590781 0.070 Uiso 1 1 calc R U . . .
H24I H 0.842194 1.096992 0.641168 0.070 Uiso 1 1 calc R U . . .
C242 C 0.79130(10) 1.02070(10) 0.9643(3) 0.0317(8) Uani 1 1 d . . . . .
H242 H 0.783105 0.996640 0.979141 0.038 Uiso 1 1 calc R U . . .
C243 C 0.81984(11) 1.04065(11) 1.0391(3) 0.0376(9) Uani 1 1 d . . . . .
H24J H 0.811318 1.036298 1.109921 0.056 Uiso 1 1 calc R U . . .
H24K H 0.836770 1.034021 1.031418 0.056 Uiso 1 1 calc R U . . .
H24L H 0.829791 1.064480 1.023956 0.056 Uiso 1 1 calc R U . . .
C244 C 0.76185(11) 1.02610(12) 0.9807(4) 0.0416(10) Uani 1 1 d . . . . .
H24M H 0.754985 1.022008 1.053227 0.062 Uiso 1 1 calc R U . . .
H24N H 0.768326 1.049098 0.962601 0.062 Uiso 1 1 calc R U . . .
H24O H 0.743246 1.010678 0.936854 0.062 Uiso 1 1 calc R U . . .
C245 C 0.82905(13) 1.00340(11) 0.6254(3) 0.0429(11) Uani 1 1 d . . . . .
H245 H 0.817346 0.978893 0.639409 0.051 Uiso 1 1 calc R U . . .
C246 C 0.86575(14) 1.01603(13) 0.6375(5) 0.0559(14) Uani 1 1 d . . . . .
H24P H 0.873044 1.005992 0.584431 0.084 Uiso 1 1 calc R U . . .
H24Q H 0.878093 1.040334 0.629917 0.084 Uiso 1 1 calc R U . . .
H24R H 0.870019 1.009993 0.705954 0.084 Uiso 1 1 calc R U . . .
C247 C 0.81932(17) 1.00774(13) 0.5151(4) 0.0626(16) Uani 1 1 d . . . . .
H24S H 0.797764 1.006915 0.516756 0.094 Uiso 1 1 calc R U . . .
H24T H 0.817650 0.989777 0.471066 0.094 Uiso 1 1 calc R U . . .
H24U H 0.836349 1.029296 0.487440 0.094 Uiso 1 1 calc R U . . .
C248 C 0.86067(13) 0.95383(13) 1.1521(4) 0.0493(12) Uani 1 1 d . . . . .
H24V H 0.879027 0.976213 1.168278 0.074 Uiso 1 1 calc R U . . .
H24W H 0.839917 0.950969 1.181592 0.074 Uiso 1 1 calc R U . . .
H243 H 0.865411 0.937146 1.181524 0.074 Uiso 1 1 calc R U . . .
C249 C 0.89319(12) 0.94620(12) 0.9801(4) 0.0476(12) Uani 1 1 d . . . . .
H244 H 0.913015 0.968324 0.987013 0.071 Uiso 1 1 calc R U . . .
H246 H 0.895076 0.930571 1.026741 0.071 Uiso 1 1 calc R U . . .
H247 H 0.891378 0.938438 0.908814 0.071 Uiso 1 1 calc R U . . .
C250 C 0.82206(11) 0.90678(10) 0.9974(4) 0.0378(9) Uani 1 1 d . . . . .
H25A H 0.801143 0.906188 1.014095 0.057 Uiso 1 1 calc R U . . .
H25B H 0.821342 0.899619 0.925853 0.057 Uiso 1 1 calc R U . . .
H25C H 0.825040 0.891752 1.043780 0.057 Uiso 1 1 calc R U . . .
C1S C 0.7171(3) 1.0004(2) 0.4027(11) 0.153(5) Uani 1 1 d . . . . .
H1S1 H 0.725184 1.003592 0.331331 0.229 Uiso 1 1 calc R U . . .
H1S2 H 0.732217 1.019931 0.443891 0.229 Uiso 1 1 calc R U . . .
H1S3 H 0.716479 0.980508 0.431511 0.229 Uiso 1 1 calc R U . . .
C2S C 0.6832(3) 0.9961(3) 0.4046(10) 0.138(4) Uani 1 1 d . . . . .
H2S1 H 0.667539 0.976310 0.363746 0.165 Uiso 1 1 calc R U . . .
H2S2 H 0.683376 1.015978 0.376203 0.165 Uiso 1 1 calc R U . . .
O1S O 0.67355(18) 0.99144(15) 0.5151(6) 0.117(2) Uani 1 1 d . . . . .
C3S C 0.6417(3) 0.9882(3) 0.5488(15) 0.192(8) Uani 1 1 d . . . . .
H3S1 H 0.623941 0.970841 0.505180 0.230 Uiso 1 1 calc R U . . .
H3S2 H 0.642521 1.009457 0.533051 0.230 Uiso 1 1 calc R U . . .
C4S C 0.6309(5) 0.9796(5) 0.6597(13) 0.235(10) Uani 1 1 d . . . . .
H4S1 H 0.609334 0.978370 0.669445 0.353 Uiso 1 1 calc R U . . .
H4S2 H 0.628853 0.958073 0.676845 0.353 Uiso 1 1 calc R U . . .
H4S3 H 0.647541 0.996913 0.704877 0.353 Uiso 1 1 calc R U . . .
C1T C 0.6573(2) 0.6674(3) 1.0359(11) 0.153(5) Uani 1 1 d . . . . .
H1T1 H 0.674795 0.683681 1.081446 0.230 Uiso 1 1 calc R U . . .
H1T2 H 0.636681 0.654574 1.075336 0.230 Uiso 1 1 calc R U . . .
H1T3 H 0.664341 0.652340 1.007374 0.230 Uiso 1 1 calc R U . . .
C2T C 0.6516(3) 0.6849(3) 0.9524(11) 0.171(6) Uani 1 1 d . . . . .
H2T1 H 0.645300 0.700538 0.982841 0.205 Uiso 1 1 calc R U . . .
H2T2 H 0.672875 0.698311 0.915088 0.205 Uiso 1 1 calc R U . . .
O1T O 0.62851(13) 0.66600(13) 0.8845(6) 0.1011(19) Uani 1 1 d . . . . .
C3T C 0.6216(4) 0.6813(3) 0.8048(9) 0.172(7) Uani 1 1 d . . . . .
H3T1 H 0.642596 0.696183 0.767824 0.207 Uiso 1 1 calc R U . . .
H3T2 H 0.613214 0.695472 0.834378 0.207 Uiso 1 1 calc R U . . .
C4T C 0.5977(2) 0.6588(2) 0.7321(8) 0.110(3) Uani 1 1 d . . . . .
H4T1 H 0.594154 0.671572 0.678164 0.165 Uiso 1 1 calc R U . . .
H4T2 H 0.606013 0.645132 0.700824 0.165 Uiso 1 1 calc R U . . .
H4T3 H 0.576585 0.644420 0.767483 0.165 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
N1 Ga1 N2 88.16(14) . . ?
N1 Ga1 C37 114.43(14) . . ?
N2 Ga1 C37 117.93(14) . . ?
N1 Ga1 P1 121.55(10) . . ?
N2 Ga1 P1 119.95(10) . . ?
C37 Ga1 P1 96.75(10) . . ?
P2 P1 Ga1 103.80(5) . . ?
C50 P2 C49 104.9(3) . . ?
C50 P2 C48 103.6(3) . . ?
C49 P2 C48 102.1(3) . . ?
C50 P2 P1 118.14(16) . . ?
C49 P2 P1 112.9(2) . . ?
C48 P2 P1 113.45(19) . . ?
C1 N1 C13 116.5(3) . . ?
C1 N1 Ga1 105.6(3) . . ?
C13 N1 Ga1 132.6(3) . . ?
C2 N2 C25 119.1(3) . . ?
C2 N2 Ga1 106.1(3) . . ?
C25 N2 Ga1 133.3(3) . . ?
C37 N3 C38 110.4(3) . . ?
C37 N3 C42 123.1(3) . . ?
C38 N3 C42 126.3(3) . . ?
C37 N4 C39 110.2(3) . . ?
C37 N4 C45 121.7(3) . . ?
C39 N4 C45 127.0(3) . . ?
C2 C1 N1 120.4(4) . . ?
C2 C1 C5 108.4(4) . . ?
N1 C1 C5 131.0(4) . . ?
C1 C2 N2 118.9(3) . . ?
C1 C2 C3 110.1(4) . . ?
N2 C2 C3 130.9(4) . . ?
C12 C3 C4 118.6(4) . . ?
C12 C3 C2 136.5(4) . . ?
C4 C3 C2 104.8(4) . . ?
C9 C4 C3 123.7(5) . . ?
C9 C4 C5 124.6(5) . . ?
C3 C4 C5 111.6(4) . . ?
C6 C5 C4 118.7(4) . . ?
C6 C5 C1 136.2(4) . . ?
C4 C5 C1 105.1(4) . . ?
C5 C6 C7 118.2(5) . . ?
C5 C6 H6 120.9 . . ?
C7 C6 H6 120.9 . . ?
C8 C7 C6 121.9(5) . . ?
C8 C7 H7 119.0 . . ?
C6 C7 H7 119.0 . . ?
C7 C8 C9 121.6(4) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C10 C9 C4 116.3(5) . . ?
C10 C9 C8 128.7(5) . . ?
C4 C9 C8 114.9(5) . . ?
C11 C10 C9 121.0(4) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 122.0(5) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C3 C12 C11 118.2(5) . . ?
C3 C12 H12 120.9 . . ?
C11 C12 H12 120.9 . . ?
C14 C13 N1 119.0(4) . . ?
C14 C13 C18 120.4(4) . . ?
N1 C13 C18 120.6(4) . . ?
C13 C14 C15 117.6(5) . . ?
C13 C14 C19 121.7(5) . . ?
C15 C14 C19 120.7(5) . . ?
C16 C15 C14 121.8(5) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C15 C16 C17 120.2(5) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 121.4(6) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 118.4(4) . . ?
C17 C18 C22 119.5(5) . . ?
C13 C18 C22 122.1(4) . . ?
C14 C19 C20 113.6(5) . . ?
C14 C19 C21 110.4(5) . . ?
C20 C19 C21 110.1(5) . . ?
C14 C19 H19 107.5 . . ?
C20 C19 H19 107.5 . . ?
C21 C19 H19 107.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 C23 110.6(4) . . ?
C18 C22 C24 111.2(4) . . ?
C23 C22 C24 110.7(4) . . ?
C18 C22 H22 108.1 . . ?
C23 C22 H22 108.1 . . ?
C24 C22 H22 108.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N2 120.2(4) . . ?
C26 C25 C30 118.9(4) . . ?
N2 C25 C30 120.9(4) . . ?
C27 C26 C25 119.5(5) . . ?
C27 C26 C31 119.8(5) . . ?
C25 C26 C31 120.5(4) . . ?
C28 C27 C26 121.7(5) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C29 C28 C27 119.0(4) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C28 C29 C30 122.2(5) . . ?
C28 C29 H29 118.9 . . ?
C30 C29 H29 118.9 . . ?
C29 C30 C25 118.6(4) . . ?
C29 C30 C34 118.7(4) . . ?
C25 C30 C34 122.7(4) . . ?
C26 C31 C32 113.1(5) . . ?
C26 C31 C33 108.7(4) . . ?
C32 C31 C33 112.3(5) . . ?
C26 C31 H31 107.5 . . ?
C32 C31 H31 107.5 . . ?
C33 C31 H31 107.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 C35 111.4(4) . . ?
C30 C34 C36 112.2(4) . . ?
C35 C34 C36 109.5(4) . . ?
C30 C34 H34 107.8 . . ?
C35 C34 H34 107.8 . . ?
C36 C34 H34 107.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N4 C37 N3 105.6(3) . . ?
N4 C37 Ga1 129.0(3) . . ?
N3 C37 Ga1 124.1(3) . . ?
C39 C38 N3 106.8(4) . . ?
C39 C38 C40 128.3(4) . . ?
N3 C38 C40 124.8(4) . . ?
C38 C39 N4 106.9(4) . . ?
C38 C39 C41 128.1(4) . . ?
N4 C39 C41 125.0(4) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N3 C42 C43 110.1(4) . . ?
N3 C42 C44 112.8(4) . . ?
C43 C42 C44 113.5(4) . . ?
N3 C42 H42 106.7 . . ?
C43 C42 H42 106.7 . . ?
C44 C42 H42 106.7 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N4 C45 C46 110.0(4) . . ?
N4 C45 C47 114.0(4) . . ?
C46 C45 C47 111.9(4) . . ?
N4 C45 H45 106.8 . . ?
C46 C45 H45 106.8 . . ?
C47 C45 H45 106.8 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
P2 C48 H48A 109.5 . . ?
P2 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
P2 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
P2 C49 H49A 109.5 . . ?
P2 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
P2 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
P2 C50 H50A 109.5 . . ?
P2 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
P2 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N102 Ga11 N101 87.59(13) . . ?
N102 Ga11 C137 114.20(13) . . ?
N101 Ga11 C137 119.24(13) . . ?
N102 Ga11 P101 123.53(9) . . ?
N101 Ga11 P101 120.94(9) . . ?
C137 Ga11 P101 93.87(10) . . ?
P102 P101 Ga11 103.73(5) . . ?
C150 P102 C149 103.8(2) . . ?
C150 P102 C148 105.8(2) . . ?
C149 P102 C148 101.8(3) . . ?
C150 P102 P101 117.75(15) . . ?
C149 P102 P101 113.89(17) . . ?
C148 P102 P101 112.15(19) . . ?
C101 N101 C113 119.1(3) . . ?
C101 N101 Ga11 106.7(2) . . ?
C113 N101 Ga11 130.7(2) . . ?
C102 N102 C125 117.3(3) . . ?
C102 N102 Ga11 106.7(2) . . ?
C125 N102 Ga11 132.7(2) . . ?
C137 N103 C138 110.6(3) . . ?
C137 N103 C142 122.3(3) . . ?
C138 N103 C142 126.5(3) . . ?
C137 N104 C139 110.7(3) . . ?
C137 N104 C145 122.7(3) . . ?
C139 N104 C145 126.2(3) . . ?
C102 C101 N101 119.0(3) . . ?
C102 C101 C105 109.5(3) . . ?
N101 C101 C105 131.4(3) . . ?
C101 C102 N102 119.4(3) . . ?
C101 C102 C103 108.9(3) . . ?
N102 C102 C103 131.7(3) . . ?
C112 C103 C104 117.2(4) . . ?
C112 C103 C102 137.1(4) . . ?
C104 C103 C102 105.7(3) . . ?
C109 C104 C103 124.8(4) . . ?
C109 C104 C105 124.4(4) . . ?
C103 C104 C105 110.7(3) . . ?
C106 C105 C104 117.7(4) . . ?
C106 C105 C101 137.1(4) . . ?
C104 C105 C101 105.2(3) . . ?
C105 C106 C107 118.8(4) . . ?
C105 C106 H106 120.6 . . ?
C107 C106 H106 120.6 . . ?
C108 C107 C106 123.4(4) . . ?
C108 C107 H107 118.3 . . ?
C106 C107 H107 118.3 . . ?
C107 C108 C109 119.2(4) . . ?
C107 C108 H108 120.4 . . ?
C109 C108 H108 120.4 . . ?
C104 C109 C110 116.1(4) . . ?
C104 C109 C108 116.5(4) . . ?
C110 C109 C108 127.4(4) . . ?
C111 C110 C109 119.9(4) . . ?
C111 C110 H110 120.1 . . ?
C109 C110 H110 120.1 . . ?
C110 C111 C112 123.0(4) . . ?
C110 C111 H111 118.5 . . ?
C112 C111 H111 118.5 . . ?
C103 C112 C111 119.0(4) . . ?
C103 C112 H112 120.5 . . ?
C111 C112 H112 120.5 . . ?
C118 C113 C114 119.3(3) . . ?
C118 C113 N101 121.3(3) . . ?
C114 C113 N101 119.3(3) . . ?
C115 C114 C113 118.9(4) . . ?
C115 C114 C119 120.4(4) . . ?
C113 C114 C119 120.5(4) . . ?
C116 C115 C114 121.3(4) . . ?
C116 C115 H115 119.4 . . ?
C114 C115 H115 119.4 . . ?
C115 C116 C117 120.1(4) . . ?
C115 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 C118 120.9(4) . . ?
C116 C117 H117 119.6 . . ?
C118 C117 H117 119.6 . . ?
C117 C118 C113 119.3(4) . . ?
C117 C118 C122 117.2(4) . . ?
C113 C118 C122 123.5(3) . . ?
C114 C119 C121 109.0(4) . . ?
C114 C119 C120 113.4(4) . . ?
C121 C119 C120 110.0(4) . . ?
C114 C119 H119 108.1 . . ?
C121 C119 H119 108.1 . . ?
C120 C119 H119 108.1 . . ?
C119 C120 H12A 109.5 . . ?
C119 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C119 C121 H12D 109.5 . . ?
C119 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C119 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C118 C122 C123 110.9(4) . . ?
C118 C122 C124 111.7(4) . . ?
C123 C122 C124 109.7(4) . . ?
C118 C122 H122 108.2 . . ?
C123 C122 H122 108.2 . . ?
C124 C122 H122 108.2 . . ?
C122 C123 H12G 109.5 . . ?
C122 C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C122 C123 H12I 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C122 C124 H12J 109.5 . . ?
C122 C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C122 C124 H12L 109.5 . . ?
H12J C124 H12L 109.5 . . ?
H12K C124 H12L 109.5 . . ?
C130 C125 C126 120.2(4) . . ?
C130 C125 N102 120.7(3) . . ?
C126 C125 N102 119.1(3) . . ?
C127 C126 C125 118.4(4) . . ?
C127 C126 C131 120.4(4) . . ?
C125 C126 C131 121.1(4) . . ?
C128 C127 C126 121.4(4) . . ?
C128 C127 H127 119.3 . . ?
C126 C127 H127 119.3 . . ?
C129 C128 C127 119.8(4) . . ?
C129 C128 H128 120.1 . . ?
C127 C128 H128 120.1 . . ?
C128 C129 C130 121.7(4) . . ?
C128 C129 H129 119.1 . . ?
C130 C129 H129 119.1 . . ?
C129 C130 C125 118.5(4) . . ?
C129 C130 C134 119.1(4) . . ?
C125 C130 C134 122.5(4) . . ?
C126 C131 C133 109.9(4) . . ?
C126 C131 C132 113.4(4) . . ?
C133 C131 C132 110.1(3) . . ?
C126 C131 H131 107.8 . . ?
C133 C131 H131 107.8 . . ?
C132 C131 H131 107.8 . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C135 C134 C136 110.6(4) . . ?
C135 C134 C130 111.5(4) . . ?
C136 C134 C130 111.6(4) . . ?
C135 C134 H134 107.6 . . ?
C136 C134 H134 107.6 . . ?
C130 C134 H134 107.6 . . ?
C134 C135 H13G 109.5 . . ?
C134 C135 H13H 109.5 . . ?
H13G C135 H13H 109.5 . . ?
C134 C135 H13I 109.5 . . ?
H13G C135 H13I 109.5 . . ?
H13H C135 H13I 109.5 . . ?
C134 C136 H13J 109.5 . . ?
C134 C136 H13K 109.5 . . ?
H13J C136 H13K 109.5 . . ?
C134 C136 H13L 109.5 . . ?
H13J C136 H13L 109.5 . . ?
H13K C136 H13L 109.5 . . ?
N104 C137 N103 105.1(3) . . ?
N104 C137 Ga11 124.7(3) . . ?
N103 C137 Ga11 128.4(3) . . ?
C139 C138 N103 106.4(4) . . ?
C139 C138 C140 128.6(4) . . ?
N103 C138 C140 125.0(4) . . ?
C138 C139 N104 107.2(4) . . ?
C138 C139 C141 128.1(4) . . ?
N104 C139 C141 124.7(4) . . ?
C138 C140 H14A 109.5 . . ?
C138 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C138 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C139 C141 H14D 109.5 . . ?
C139 C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
C139 C141 H14F 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
N103 C142 C143 109.9(4) . . ?
N103 C142 C144 113.7(4) . . ?
C143 C142 C144 112.5(4) . . ?
N103 C142 H142 106.7 . . ?
C143 C142 H142 106.7 . . ?
C144 C142 H142 106.7 . . ?
C142 C143 H14G 109.5 . . ?
C142 C143 H14H 109.5 . . ?
H14G C143 H14H 109.5 . . ?
C142 C143 H14I 109.5 . . ?
H14G C143 H14I 109.5 . . ?
H14H C143 H14I 109.5 . . ?
C142 C144 H14J 109.5 . . ?
C142 C144 H14K 109.5 . . ?
H14J C144 H14K 109.5 . . ?
C142 C144 H14L 109.5 . . ?
H14J C144 H14L 109.5 . . ?
H14K C144 H14L 109.5 . . ?
N104 C145 C146 110.5(3) . . ?
N104 C145 C147 112.8(4) . . ?
C146 C145 C147 112.3(3) . . ?
N104 C145 H145 107.0 . . ?
C146 C145 H145 107.0 . . ?
C147 C145 H145 107.0 . . ?
C145 C146 H14M 109.5 . . ?
C145 C146 H14N 109.5 . . ?
H14M C146 H14N 109.5 . . ?
C145 C146 H14O 109.5 . . ?
H14M C146 H14O 109.5 . . ?
H14N C146 H14O 109.5 . . ?
C145 C147 H14P 109.5 . . ?
C145 C147 H14Q 109.5 . . ?
H14P C147 H14Q 109.5 . . ?
C145 C147 H14R 109.5 . . ?
H14P C147 H14R 109.5 . . ?
H14Q C147 H14R 109.5 . . ?
P102 C148 H14S 109.5 . . ?
P102 C148 H14T 109.5 . . ?
H14S C148 H14T 109.5 . . ?
P102 C148 H14U 109.5 . . ?
H14S C148 H14U 109.5 . . ?
H14T C148 H14U 109.5 . . ?
P102 C149 H14V 109.5 . . ?
P102 C149 H14W 109.5 . . ?
H14V C149 H14W 109.5 . . ?
P102 C149 H14$ 109.5 . . ?
H14V C149 H14$ 109.5 . . ?
H14W C149 H14$ 109.5 . . ?
P102 C150 H15A 109.5 . . ?
P102 C150 H15B 109.5 . . ?
H15A C150 H15B 109.5 . . ?
P102 C150 H15C 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
N201 Ga21 N202 87.78(13) . . ?
N201 Ga21 C237 114.39(14) . . ?
N202 Ga21 C237 119.38(14) . . ?
N201 Ga21 P201 123.01(9) . . ?
N202 Ga21 P201 120.01(9) . . ?
C237 Ga21 P201 94.71(10) . . ?
P202 P201 Ga21 103.68(5) . . ?
C250 P202 C249 105.0(2) . . ?
C250 P202 C248 103.6(2) . . ?
C249 P202 C248 101.4(2) . . ?
C250 P202 P201 117.69(15) . . ?
C249 P202 P201 113.37(18) . . ?
C248 P202 P201 113.98(17) . . ?
C201 N201 C213 117.6(3) . . ?
C201 N201 Ga21 106.6(2) . . ?
C213 N201 Ga21 132.8(2) . . ?
C202 N202 C225 118.4(3) . . ?
C202 N202 Ga21 106.6(2) . . ?
C225 N202 Ga21 131.7(2) . . ?
C237 N203 C238 110.4(3) . . ?
C237 N203 C242 123.5(3) . . ?
C238 N203 C242 126.0(3) . . ?
C237 N204 C239 110.5(3) . . ?
C237 N204 C245 122.1(3) . . ?
C239 N204 C245 126.4(3) . . ?
C202 C201 N201 119.1(3) . . ?
C202 C201 C205 109.1(3) . . ?
N201 C201 C205 131.7(3) . . ?
C201 C202 N202 119.1(3) . . ?
C201 C202 C203 109.4(3) . . ?
N202 C202 C203 131.4(3) . . ?
C212 C203 C204 117.5(4) . . ?
C212 C203 C202 137.0(4) . . ?
C204 C203 C202 105.5(3) . . ?
C209 C204 C203 124.7(4) . . ?
C209 C204 C205 124.7(4) . . ?
C203 C204 C205 110.6(3) . . ?
C206 C205 C204 117.6(3) . . ?
C206 C205 C201 136.9(4) . . ?
C204 C205 C201 105.4(3) . . ?
C205 C206 C207 118.5(4) . . ?
C205 C206 H206 120.7 . . ?
C207 C206 H206 120.7 . . ?
C208 C207 C206 122.8(4) . . ?
C208 C207 H207 118.6 . . ?
C206 C207 H207 118.6 . . ?
C207 C208 C209 120.0(4) . . ?
C207 C208 H208 120.0 . . ?
C209 C208 H208 120.0 . . ?
C204 C209 C210 116.2(4) . . ?
C204 C209 C208 116.4(4) . . ?
C210 C209 C208 127.4(4) . . ?
C211 C210 C209 120.2(4) . . ?
C211 C210 H210 119.9 . . ?
C209 C210 H210 119.9 . . ?
C210 C211 C212 122.4(4) . . ?
C210 C211 H211 118.8 . . ?
C212 C211 H211 118.8 . . ?
C203 C212 C211 119.0(4) . . ?
C203 C212 H212 120.5 . . ?
C211 C212 H212 120.5 . . ?
C218 C213 C214 119.8(4) . . ?
C218 C213 N201 120.7(3) . . ?
C214 C213 N201 119.5(3) . . ?
C215 C214 C213 118.1(4) . . ?
C215 C214 C219 120.6(4) . . ?
C213 C214 C219 121.1(4) . . ?
C216 C215 C214 122.2(4) . . ?
C216 C215 H215 118.9 . . ?
C214 C215 H215 118.9 . . ?
C215 C216 C217 119.7(4) . . ?
C215 C216 H216 120.1 . . ?
C217 C216 H216 120.1 . . ?
C216 C217 C218 121.0(4) . . ?
C216 C217 H217 119.5 . . ?
C218 C217 H217 119.5 . . ?
C217 C218 C213 119.0(4) . . ?
C217 C218 C222 118.5(4) . . ?
C213 C218 C222 122.5(4) . . ?
C214 C219 C221 109.2(3) . . ?
C214 C219 C220 113.3(4) . . ?
C221 C219 C220 110.5(4) . . ?
C214 C219 H219 107.9 . . ?
C221 C219 H219 107.9 . . ?
C220 C219 H219 107.9 . . ?
C219 C220 H22A 109.5 . . ?
C219 C220 H22B 109.5 . . ?
H22A C220 H22B 109.5 . . ?
C219 C220 H22C 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
C219 C221 H22D 109.5 . . ?
C219 C221 H22E 109.5 . . ?
H22D C221 H22E 109.5 . . ?
C219 C221 H22F 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C223 C222 C224 110.7(4) . . ?
C223 C222 C218 111.7(4) . . ?
C224 C222 C218 111.6(4) . . ?
C223 C222 H222 107.5 . . ?
C224 C222 H222 107.5 . . ?
C218 C222 H222 107.5 . . ?
C222 C223 H22G 109.5 . . ?
C222 C223 H22H 109.5 . . ?
H22G C223 H22H 109.5 . . ?
C222 C223 H22I 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C222 C224 H22J 109.5 . . ?
C222 C224 H22K 109.5 . . ?
H22J C224 H22K 109.5 . . ?
C222 C224 H22L 109.5 . . ?
H22J C224 H22L 109.5 . . ?
H22K C224 H22L 109.5 . . ?
C226 C225 C230 119.7(3) . . ?
C226 C225 N202 119.4(3) . . ?
C230 C225 N202 120.9(3) . . ?
C227 C226 C225 119.3(4) . . ?
C227 C226 C231 119.8(4) . . ?
C225 C226 C231 120.7(4) . . ?
C226 C227 C228 120.9(4) . . ?
C226 C227 H227 119.6 . . ?
C228 C227 H227 119.6 . . ?
C229 C228 C227 119.6(4) . . ?
C229 C228 H228 120.2 . . ?
C227 C228 H228 120.2 . . ?
C228 C229 C230 121.8(4) . . ?
C228 C229 H229 119.1 . . ?
C230 C229 H229 119.1 . . ?
C229 C230 C225 118.6(4) . . ?
C229 C230 C234 117.4(4) . . ?
C225 C230 C234 124.1(3) . . ?
C232 C231 C226 113.2(4) . . ?
C232 C231 C233 110.9(4) . . ?
C226 C231 C233 109.3(4) . . ?
C232 C231 H231 107.7 . . ?
C226 C231 H231 107.7 . . ?
C233 C231 H231 107.7 . . ?
C231 C232 H23D 109.5 . . ?
C231 C232 H23E 109.5 . . ?
H23D C232 H23E 109.5 . . ?
C231 C232 H23F 109.5 . . ?
H23D C232 H23F 109.5 . . ?
H23E C232 H23F 109.5 . . ?
C231 C233 H23G 109.5 . . ?
C231 C233 H23H 109.5 . . ?
H23G C233 H23H 109.5 . . ?
C231 C233 H23I 109.5 . . ?
H23G C233 H23I 109.5 . . ?
H23H C233 H23I 109.5 . . ?
C230 C234 C235 111.4(4) . . ?
C230 C234 C236 111.8(4) . . ?
C235 C234 C236 110.0(3) . . ?
C230 C234 H234 107.8 . . ?
C235 C234 H234 107.8 . . ?
C236 C234 H234 107.8 . . ?
C234 C235 H23J 109.5 . . ?
C234 C235 H23K 109.5 . . ?
H23J C235 H23K 109.5 . . ?
C234 C235 H23L 109.5 . . ?
H23J C235 H23L 109.5 . . ?
H23K C235 H23L 109.5 . . ?
C234 C236 H23M 109.5 . . ?
C234 C236 H23N 109.5 . . ?
H23M C236 H23N 109.5 . . ?
C234 C236 H23O 109.5 . . ?
H23M C236 H23O 109.5 . . ?
H23N C236 H23O 109.5 . . ?
N204 C237 N203 105.3(3) . . ?
N204 C237 Ga21 128.7(3) . . ?
N203 C237 Ga21 124.1(3) . . ?
C239 C238 N203 106.7(3) . . ?
C239 C238 C240 128.3(4) . . ?
N203 C238 C240 125.0(4) . . ?
C238 C239 N204 107.1(3) . . ?
C238 C239 C241 127.7(4) . . ?
N204 C239 C241 125.2(4) . . ?
C238 C240 H24D 109.5 . . ?
C238 C240 H24E 109.5 . . ?
H24D C240 H24E 109.5 . . ?
C238 C240 H24F 109.5 . . ?
H24D C240 H24F 109.5 . . ?
H24E C240 H24F 109.5 . . ?
C239 C241 H24G 109.5 . . ?
C239 C241 H24H 109.5 . . ?
H24G C241 H24H 109.5 . . ?
C239 C241 H24I 109.5 . . ?
H24G C241 H24I 109.5 . . ?
H24H C241 H24I 109.5 . . ?
N203 C242 C244 112.3(3) . . ?
N203 C242 C243 111.4(3) . . ?
C244 C242 C243 112.9(3) . . ?
N203 C242 H242 106.5 . . ?
C244 C242 H242 106.5 . . ?
C243 C242 H242 106.5 . . ?
C242 C243 H24J 109.5 . . ?
C242 C243 H24K 109.5 . . ?
H24J C243 H24K 109.5 . . ?
C242 C243 H24L 109.5 . . ?
H24J C243 H24L 109.5 . . ?
H24K C243 H24L 109.5 . . ?
C242 C244 H24M 109.5 . . ?
C242 C244 H24N 109.5 . . ?
H24M C244 H24N 109.5 . . ?
C242 C244 H24O 109.5 . . ?
H24M C244 H24O 109.5 . . ?
H24N C244 H24O 109.5 . . ?
N204 C245 C246 109.9(4) . . ?
N204 C245 C247 113.1(4) . . ?
C246 C245 C247 113.1(4) . . ?
N204 C245 H245 106.8 . . ?
C246 C245 H245 106.8 . . ?
C247 C245 H245 106.8 . . ?
C245 C246 H24P 109.5 . . ?
C245 C246 H24Q 109.5 . . ?
H24P C246 H24Q 109.5 . . ?
C245 C246 H24R 109.5 . . ?
H24P C246 H24R 109.5 . . ?
H24Q C246 H24R 109.5 . . ?
C245 C247 H24S 109.5 . . ?
C245 C247 H24T 109.5 . . ?
H24S C247 H24T 109.5 . . ?
C245 C247 H24U 109.5 . . ?
H24S C247 H24U 109.5 . . ?
H24T C247 H24U 109.5 . . ?
P202 C248 H24V 109.5 . . ?
P202 C248 H24W 109.5 . . ?
H24V C248 H24W 109.5 . . ?
P202 C248 H243 109.5 . . ?
H24V C248 H243 109.5 . . ?
H24W C248 H243 109.5 . . ?
P202 C249 H244 109.5 . . ?
P202 C249 H246 109.5 . . ?
H244 C249 H246 109.5 . . ?
P202 C249 H247 109.5 . . ?
H244 C249 H247 109.5 . . ?
H246 C249 H247 109.5 . . ?
P202 C250 H25A 109.5 . . ?
P202 C250 H25B 109.5 . . ?
H25A C250 H25B 109.5 . . ?
P202 C250 H25C 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C1S C2S O1S 105.0(11) . . ?
C1S C2S H2S1 110.7 . . ?
O1S C2S H2S1 110.7 . . ?
C1S C2S H2S2 110.7 . . ?
O1S C2S H2S2 110.7 . . ?
H2S1 C2S H2S2 108.8 . . ?
C3S O1S C2S 121.0(11) . . ?
O1S C3S C4S 119.6(14) . . ?
O1S C3S H3S1 107.4 . . ?
C4S C3S H3S1 107.4 . . ?
O1S C3S H3S2 107.4 . . ?
C4S C3S H3S2 107.4 . . ?
H3S1 C3S H3S2 107.0 . . ?
C3S C4S H4S1 109.5 . . ?
C3S C4S H4S2 109.5 . . ?
H4S1 C4S H4S2 109.5 . . ?
C3S C4S H4S3 109.5 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 109.5 . . ?
C2T C1T H1T1 109.5 . . ?
C2T C1T H1T2 109.5 . . ?
H1T1 C1T H1T2 109.5 . . ?
C2T C1T H1T3 109.5 . . ?
H1T1 C1T H1T3 109.5 . . ?
H1T2 C1T H1T3 109.5 . . ?
O1T C2T C1T 116.2(11) . . ?
O1T C2T H2T1 108.2 . . ?
C1T C2T H2T1 108.2 . . ?
O1T C2T H2T2 108.2 . . ?
C1T C2T H2T2 108.2 . . ?
H2T1 C2T H2T2 107.4 . . ?
C2T O1T C3T 118.5(9) . . ?
O1T C3T C4T 114.4(9) . . ?
O1T C3T H3T1 108.7 . . ?
C4T C3T H3T1 108.7 . . ?
O1T C3T H3T2 108.7 . . ?
C4T C3T H3T2 108.7 . . ?
H3T1 C3T H3T2 107.6 . . ?
C3T C4T H4T1 109.5 . . ?
C3T C4T H4T2 109.5 . . ?
H4T1 C4T H4T2 109.5 . . ?
C3T C4T H4T3 109.5 . . ?
H4T1 C4T H4T3 109.5 . . ?
H4T2 C4T H4T3 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 N1 1.961(3) . ?
Ga1 N2 1.984(3) . ?
Ga1 C37 2.098(4) . ?
Ga1 P1 2.3171(11) . ?
P1 P2 2.0830(15) . ?
P2 C50 1.806(5) . ?
P2 C49 1.814(6) . ?
P2 C48 1.824(5) . ?
N1 C1 1.403(5) . ?
N1 C13 1.417(5) . ?
N2 C2 1.389(5) . ?
N2 C25 1.423(5) . ?
N3 C37 1.360(5) . ?
N3 C38 1.391(5) . ?
N3 C42 1.487(5) . ?
N4 C37 1.351(5) . ?
N4 C39 1.399(5) . ?
N4 C45 1.475(5) . ?
C1 C2 1.362(6) . ?
C1 C5 1.487(5) . ?
C2 C3 1.474(5) . ?
C3 C12 1.375(6) . ?
C3 C4 1.410(6) . ?
C4 C9 1.400(6) . ?
C4 C5 1.415(6) . ?
C5 C6 1.374(6) . ?
C6 C7 1.436(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.366(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.422(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.398(8) . ?
C10 C11 1.369(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.429(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.404(6) . ?
C13 C18 1.424(7) . ?
C14 C15 1.416(8) . ?
C14 C19 1.506(8) . ?
C15 C16 1.366(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.370(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(6) . ?
C17 H17 0.9500 . ?
C18 C22 1.510(6) . ?
C19 C20 1.528(8) . ?
C19 C21 1.532(8) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.534(6) . ?
C22 C24 1.536(6) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.404(6) . ?
C25 C30 1.426(6) . ?
C26 C27 1.392(7) . ?
C26 C31 1.519(7) . ?
C27 C28 1.378(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.367(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.394(6) . ?
C29 H29 0.9500 . ?
C30 C34 1.515(6) . ?
C31 C32 1.531(9) . ?
C31 C33 1.536(8) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.531(6) . ?
C34 C36 1.534(6) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C38 C39 1.350(7) . ?
C38 C40 1.493(6) . ?
C39 C41 1.498(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.524(6) . ?
C42 C44 1.524(6) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.512(7) . ?
C45 C47 1.533(6) . ?
C45 H45 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
Ga11 N102 1.969(3) . ?
Ga11 N101 1.977(3) . ?
Ga11 C137 2.101(4) . ?
Ga11 P101 2.3170(10) . ?
P101 P102 2.0811(14) . ?
P102 C150 1.800(4) . ?
P102 C149 1.810(5) . ?
P102 C148 1.817(5) . ?
N101 C101 1.387(5) . ?
N101 C113 1.431(4) . ?
N102 C102 1.387(5) . ?
N102 C125 1.430(5) . ?
N103 C137 1.357(5) . ?
N103 C138 1.394(5) . ?
N103 C142 1.486(5) . ?
N104 C137 1.357(5) . ?
N104 C139 1.382(5) . ?
N104 C145 1.491(5) . ?
C101 C102 1.378(5) . ?
C101 C105 1.471(5) . ?
C102 C103 1.468(5) . ?
C103 C112 1.380(6) . ?
C103 C104 1.424(5) . ?
C104 C109 1.388(5) . ?
C104 C105 1.425(6) . ?
C105 C106 1.374(5) . ?
C106 C107 1.421(6) . ?
C106 H106 0.9500 . ?
C107 C108 1.366(7) . ?
C107 H107 0.9500 . ?
C108 C109 1.433(6) . ?
C108 H108 0.9500 . ?
C109 C110 1.428(6) . ?
C110 C111 1.362(7) . ?
C110 H110 0.9500 . ?
C111 C112 1.422(6) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C118 1.411(5) . ?
C113 C114 1.414(5) . ?
C114 C115 1.396(6) . ?
C114 C119 1.518(6) . ?
C115 C116 1.374(7) . ?
C115 H115 0.9500 . ?
C116 C117 1.377(7) . ?
C116 H116 0.9500 . ?
C117 C118 1.397(5) . ?
C117 H117 0.9500 . ?
C118 C122 1.523(6) . ?
C119 C121 1.530(7) . ?
C119 C120 1.532(7) . ?
C119 H119 1.0000 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 C123 1.525(6) . ?
C122 C124 1.535(6) . ?
C122 H122 1.0000 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
C124 H12L 0.9800 . ?
C125 C130 1.410(6) . ?
C125 C126 1.417(5) . ?
C126 C127 1.396(6) . ?
C126 C131 1.510(6) . ?
C127 C128 1.386(7) . ?
C127 H127 0.9500 . ?
C128 C129 1.364(7) . ?
C128 H128 0.9500 . ?
C129 C130 1.402(6) . ?
C129 H129 0.9500 . ?
C130 C134 1.525(6) . ?
C131 C133 1.530(6) . ?
C131 C132 1.545(6) . ?
C131 H131 1.0000 . ?
C132 H13A 0.9800 . ?
C132 H13B 0.9800 . ?
C132 H13C 0.9800 . ?
C133 H13D 0.9800 . ?
C133 H13E 0.9800 . ?
C133 H13F 0.9800 . ?
C134 C135 1.518(7) . ?
C134 C136 1.521(6) . ?
C134 H134 1.0000 . ?
C135 H13G 0.9800 . ?
C135 H13H 0.9800 . ?
C135 H13I 0.9800 . ?
C136 H13J 0.9800 . ?
C136 H13K 0.9800 . ?
C136 H13L 0.9800 . ?
C138 C139 1.351(6) . ?
C138 C140 1.498(6) . ?
C139 C141 1.502(6) . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 C143 1.518(7) . ?
C142 C144 1.529(6) . ?
C142 H142 1.0000 . ?
C143 H14G 0.9800 . ?
C143 H14H 0.9800 . ?
C143 H14I 0.9800 . ?
C144 H14J 0.9800 . ?
C144 H14K 0.9800 . ?
C144 H14L 0.9800 . ?
C145 C146 1.518(6) . ?
C145 C147 1.522(6) . ?
C145 H145 1.0000 . ?
C146 H14M 0.9800 . ?
C146 H14N 0.9800 . ?
C146 H14O 0.9800 . ?
C147 H14P 0.9800 . ?
C147 H14Q 0.9800 . ?
C147 H14R 0.9800 . ?
C148 H14S 0.9800 . ?
C148 H14T 0.9800 . ?
C148 H14U 0.9800 . ?
C149 H14V 0.9800 . ?
C149 H14W 0.9800 . ?
C149 H14$ 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
Ga21 N201 1.971(3) . ?
Ga21 N202 1.972(3) . ?
Ga21 C237 2.102(3) . ?
Ga21 P201 2.3214(10) . ?
P201 P202 2.0847(14) . ?
P202 C250 1.799(4) . ?
P202 C249 1.816(5) . ?
P202 C248 1.816(5) . ?
N201 C201 1.389(5) . ?
N201 C213 1.426(5) . ?
N202 C202 1.389(5) . ?
N202 C225 1.433(4) . ?
N203 C237 1.358(5) . ?
N203 C238 1.390(5) . ?
N203 C242 1.490(5) . ?
N204 C237 1.350(5) . ?
N204 C239 1.388(5) . ?
N204 C245 1.481(5) . ?
C201 C202 1.383(5) . ?
C201 C205 1.465(5) . ?
C202 C203 1.464(5) . ?
C203 C212 1.373(5) . ?
C203 C204 1.423(5) . ?
C204 C209 1.383(5) . ?
C204 C205 1.431(5) . ?
C205 C206 1.382(5) . ?
C206 C207 1.429(6) . ?
C206 H206 0.9500 . ?
C207 C208 1.373(7) . ?
C207 H207 0.9500 . ?
C208 C209 1.427(6) . ?
C208 H208 0.9500 . ?
C209 C210 1.425(6) . ?
C210 C211 1.362(7) . ?
C210 H210 0.9500 . ?
C211 C212 1.430(6) . ?
C211 H211 0.9500 . ?
C212 H212 0.9500 . ?
C213 C218 1.408(5) . ?
C213 C214 1.420(5) . ?
C214 C215 1.394(6) . ?
C214 C219 1.516(6) . ?
C215 C216 1.368(7) . ?
C215 H215 0.9500 . ?
C216 C217 1.380(7) . ?
C216 H216 0.9500 . ?
C217 C218 1.398(6) . ?
C217 H217 0.9500 . ?
C218 C222 1.528(6) . ?
C219 C221 1.527(6) . ?
C219 C220 1.539(5) . ?
C219 H219 1.0000 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C222 C223 1.524(7) . ?
C222 C224 1.527(7) . ?
C222 H222 1.0000 . ?
C223 H22G 0.9800 . ?
C223 H22H 0.9800 . ?
C223 H22I 0.9800 . ?
C224 H22J 0.9800 . ?
C224 H22K 0.9800 . ?
C224 H22L 0.9800 . ?
C225 C226 1.412(5) . ?
C225 C230 1.412(5) . ?
C226 C227 1.393(6) . ?
C226 C231 1.528(6) . ?
C227 C228 1.394(7) . ?
C227 H227 0.9500 . ?
C228 C229 1.364(7) . ?
C228 H228 0.9500 . ?
C229 C230 1.405(5) . ?
C229 H229 0.9500 . ?
C230 C234 1.522(6) . ?
C231 C232 1.525(7) . ?
C231 C233 1.533(7) . ?
C231 H231 1.0000 . ?
C232 H23D 0.9800 . ?
C232 H23E 0.9800 . ?
C232 H23F 0.9800 . ?
C233 H23G 0.9800 . ?
C233 H23H 0.9800 . ?
C233 H23I 0.9800 . ?
C234 C235 1.529(6) . ?
C234 C236 1.537(6) . ?
C234 H234 1.0000 . ?
C235 H23J 0.9800 . ?
C235 H23K 0.9800 . ?
C235 H23L 0.9800 . ?
C236 H23M 0.9800 . ?
C236 H23N 0.9800 . ?
C236 H23O 0.9800 . ?
C238 C239 1.348(6) . ?
C238 C240 1.500(6) . ?
C239 C241 1.498(6) . ?
C240 H24D 0.9800 . ?
C240 H24E 0.9800 . ?
C240 H24F 0.9800 . ?
C241 H24G 0.9800 . ?
C241 H24H 0.9800 . ?
C241 H24I 0.9800 . ?
C242 C244 1.520(6) . ?
C242 C243 1.523(6) . ?
C242 H242 1.0000 . ?
C243 H24J 0.9800 . ?
C243 H24K 0.9800 . ?
C243 H24L 0.9800 . ?
C244 H24M 0.9800 . ?
C244 H24N 0.9800 . ?
C244 H24O 0.9800 . ?
C245 C246 1.504(7) . ?
C245 C247 1.542(7) . ?
C245 H245 1.0000 . ?
C246 H24P 0.9800 . ?
C246 H24Q 0.9800 . ?
C246 H24R 0.9800 . ?
C247 H24S 0.9800 . ?
C247 H24T 0.9800 . ?
C247 H24U 0.9800 . ?
C248 H24V 0.9800 . ?
C248 H24W 0.9800 . ?
C248 H243 0.9800 . ?
C249 H244 0.9800 . ?
C249 H246 0.9800 . ?
C249 H247 0.9800 . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C1S C2S 1.482(15) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S O1S 1.484(12) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
O1S C3S 1.471(14) . ?
C3S C4S 1.51(2) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 0.9800 . ?
C1T C2T 1.451(16) . ?
C1T H1T1 0.9800 . ?
C1T H1T2 0.9800 . ?
C1T H1T3 0.9800 . ?
C2T O1T 1.321(12) . ?
C2T H2T1 0.9900 . ?
C2T H2T2 0.9900 . ?
O1T C3T 1.379(11) . ?
C3T C4T 1.431(13) . ?
C3T H3T1 0.9900 . ?
C3T H3T2 0.9900 . ?
C4T H4T1 0.9800 . ?
C4T H4T2 0.9800 . ?
C4T H4T3 0.9800 . ?
