#------------------------------------------------------------------------------
#$Date: 2019-07-04 12:31:36 +0300 (Thu, 04 Jul 2019) $
#$Revision: 216745 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/19/1551981.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_1551981
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         'C16 Al F36 O4, C56 H93 Ga N2 P2 Rh'
_chemical_formula_sum            'C72 H93 Al F36 Ga N2 O4 P2 Rh'
_chemical_formula_weight         1996.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_cell_angle_alpha                95.335(2)
_cell_angle_beta                 90.4516(18)
_cell_angle_gamma                93.0358(18)
_cell_formula_units_Z            4
_cell_length_a                   18.3055(4)
_cell_length_b                   20.3348(5)
_cell_length_c                   22.6830(5)
_cell_measurement_reflns_used    34439
_cell_measurement_temperature    150
_cell_measurement_theta_max      76
_cell_measurement_theta_min      3
_cell_volume                     8394.4(3)
_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 0.983
_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  0.044
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            90084
_diffrn_reflns_theta_full        73.332
_diffrn_reflns_theta_max         76.387
_diffrn_reflns_theta_min         3.067
_diffrn_standards_decay_%        .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.597
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.51
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, (Agilent, 2011)'
_exptl_crystal_colour            clear_intense_orange
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             4056.003
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.60
_refine_diff_density_min         -1.58
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9910
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2689
_refine_ls_number_reflns         34486
_refine_ls_number_restraints     8031
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.0093977
_refine_ls_shift/su_mean         0.0002539
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick
 w=1/[σ²(F²) + ( 0.10P)² +49.64P]
 ,where P=(max(Fo²,0) + 2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2101
_refine_ls_wR_factor_gt          0.1974
_refine_ls_wR_factor_ref         0.2099
_reflns_limit_h_max              23
_reflns_limit_h_min              -23
_reflns_limit_k_max              25
_reflns_limit_k_min              -25
_reflns_limit_l_max              28
_reflns_limit_l_min              0
_reflns_number_gt                28778
_reflns_number_total             34634
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.97
_oxford_diffrn_Wilson_scale      0.47
_oxford_refine_ls_r_factor_ref   0.0886
_oxford_refine_ls_scale          1.475(5)
_oxford_reflns_number_all        34502
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_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 -1 '
_cod_original_formula_sum        'C72 H93 Al1 F36 Ga1 N2 O4 P2 Rh1'
_cod_database_code               1551981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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 0.709145(16) 0.742110(16) 0.482486(15) 0.0224 1.0000 Uani D . . . . .
Ga1 Ga 0.83717(3) 0.74506(3) 0.49277(3) 0.0222 1.0000 Uani D . . . . .
N1 N 0.9054(2) 0.68240(18) 0.51521(18) 0.0250 1.0000 Uani . . . . . .
N2 N 0.9100(2) 0.81505(19) 0.48103(18) 0.0242 1.0000 Uani . . . . . .
C2 C 0.9785(3) 0.6951(2) 0.5195(2) 0.0275 1.0000 Uani . . . . . .
C3 C 1.0130(2) 0.7539(2) 0.5053(2) 0.0284 1.0000 Uani . . . . . .
C4 C 0.9828(2) 0.8089(2) 0.4868(2) 0.0263 1.0000 Uani . . . . . .
C5 C 1.0338(3) 0.8660(3) 0.4731(3) 0.0372 1.0000 Uani . . . . . .
C11 C 0.8784(2) 0.6156(2) 0.5238(2) 0.0300 1.0000 Uani . . . . . .
C12 C 0.8530(3) 0.6011(3) 0.5789(3) 0.0390 1.0000 Uani . . . . . .
C13 C 0.8288(3) 0.5350(3) 0.5851(3) 0.0489 1.0000 Uani . . . . . .
C14 C 0.8292(3) 0.4871(3) 0.5378(4) 0.0534 1.0000 Uani . . . . . .
C15 C 0.8551(3) 0.5029(3) 0.4843(4) 0.0482 1.0000 Uani . . . . . .
C16 C 0.8817(3) 0.5666(2) 0.4758(3) 0.0364 1.0000 Uani . . . . . .
C17 C 0.8538(4) 0.6520(4) 0.6317(3) 0.0529 1.0000 Uani . . . . . .
C18 C 0.9155(3) 0.5802(3) 0.4170(3) 0.0425 1.0000 Uani . . . . . .
C21 C 0.8850(2) 0.8782(2) 0.4677(2) 0.0287 1.0000 Uani . . . . . .
C22 C 0.8700(3) 0.8893(3) 0.4088(3) 0.0364 1.0000 Uani . . . . . .
C23 C 0.8430(3) 0.9494(3) 0.3976(3) 0.0435 1.0000 Uani . . . . . .
C24 C 0.8318(3) 0.9976(3) 0.4432(3) 0.0455 1.0000 Uani . . . . . .
C25 C 0.8482(3) 0.9871(3) 0.5010(3) 0.0394 1.0000 Uani . . . . . .
C26 C 0.8765(3) 0.9273(2) 0.5146(3) 0.0318 1.0000 Uani . . . . . .
C27 C 0.8829(3) 0.8373(3) 0.3578(3) 0.0440 1.0000 Uani . . . . . .
C28 C 0.8990(3) 0.9188(3) 0.5777(3) 0.0355 1.0000 Uani . . . . . .
C31 C 0.7767(5) 0.6646(5) 0.6522(4) 0.0785 1.0000 Uani . . . . . .
C32 C 0.8984(6) 0.6299(7) 0.6834(4) 0.1003 1.0000 Uani . . . . . .
C33 C 0.8573(4) 0.5891(4) 0.3701(3) 0.0523 1.0000 Uani . . . . . .
C34 C 0.9662(4) 0.5261(3) 0.3946(4) 0.0559 1.0000 Uani . . . . . .
C35 C 0.8115(5) 0.7988(5) 0.3378(4) 0.0793 1.0000 Uani . . . . . .
C36 C 0.9204(5) 0.8656(5) 0.3049(3) 0.0673 1.0000 Uani . . . . . .
C37 C 0.8336(4) 0.9028(4) 0.6155(3) 0.0570 1.0000 Uani . . . . . .
C38 C 0.9431(4) 0.9795(3) 0.6068(3) 0.0534 1.0000 Uani . . . . . .
P1 P 0.62308(6) 0.65969(5) 0.44723(5) 0.0216 1.0000 Uani . . . . . .
P2 P 0.62478(6) 0.82145(6) 0.50495(5) 0.0259 1.0000 Uani . . . . . .
C51 C 0.5289(3) 0.6820(2) 0.4309(3) 0.0327 1.0000 Uani . . . . . .
C52 C 0.5188(3) 0.7546(3) 0.4241(3) 0.0363 1.0000 Uani . . . . . .
C53 C 0.5291(3) 0.7977(3) 0.4837(3) 0.0351 1.0000 Uani . . . . . .
C61 C 0.6503(2) 0.6151(2) 0.3767(2) 0.0286 1.0000 Uani . . . . . .
C62 C 0.6572(4) 0.6619(3) 0.3283(3) 0.0465 1.0000 Uani . . . . . .
C63 C 0.6869(4) 0.6269(5) 0.2716(3) 0.0635 1.0000 Uani . . . . . .
C64 C 0.6409(4) 0.5642(5) 0.2510(3) 0.0662 1.0000 Uani . . . . . .
C65 C 0.6337(4) 0.5181(4) 0.2997(3) 0.0554 1.0000 Uani . . . . . .
C66 C 0.6025(3) 0.5524(3) 0.3558(3) 0.0404 1.0000 Uani . . . . . .
C71 C 0.6020(2) 0.5930(2) 0.4954(2) 0.0269 1.0000 Uani . . . . . .
C72 C 0.6632(3) 0.5461(3) 0.5020(3) 0.0367 1.0000 Uani . . . . . .
C73 C 0.6357(4) 0.4892(3) 0.5374(3) 0.0498 1.0000 Uani . . . . . .
C74 C 0.6048(4) 0.5140(4) 0.5968(3) 0.0610 1.0000 Uani . . . . . .
C75 C 0.5472(4) 0.5632(4) 0.5911(3) 0.0507 1.0000 Uani . . . . . .
C76 C 0.5760(3) 0.6203(3) 0.5567(2) 0.0392 1.0000 Uani . . . . . .
C81 C 0.6425(3) 0.9009(2) 0.4709(2) 0.0280 1.0000 Uani . . . . . .
C82 C 0.6003(3) 0.9595(3) 0.4986(3) 0.0363 1.0000 Uani . . . . . .
C83 C 0.6172(3) 1.0225(3) 0.4688(3) 0.0402 1.0000 Uani . . . . . .
C84 C 0.6013(3) 1.0123(3) 0.4025(3) 0.0439 1.0000 Uani . . . . . .
C85 C 0.6439(4) 0.9559(3) 0.3742(3) 0.0450 1.0000 Uani . . . . . .
C86 C 0.6287(3) 0.8919(3) 0.4036(2) 0.0374 1.0000 Uani . . . . . .
C91 C 0.6239(3) 0.8484(3) 0.5855(2) 0.0333 1.0000 Uani . . . . . .
C92 C 0.6600(3) 0.7998(3) 0.6239(3) 0.0414 1.0000 Uani . . . . . .
C93 C 0.6689(4) 0.8315(4) 0.6874(3) 0.0522 1.0000 Uani . . . . . .
C94 C 0.5960(5) 0.8475(4) 0.7135(3) 0.0572 1.0000 Uani . . . . . .
C95 C 0.5563(4) 0.8935(4) 0.6753(3) 0.0572 1.0000 Uani . . . . . .
C96 C 0.5492(4) 0.8646(3) 0.6110(3) 0.0476 1.0000 Uani . . . . . .
C312 C 1.0258(3) 0.6431(3) 0.5394(3) 0.0376 1.0000 Uani . . . . . .
C231 C 0.2011(5) 0.3370(5) -0.1393(4) 0.0796 1.0000 Uani . . . . . .
Rh2 Rh 0.301397(17) 0.253521(16) 0.005626(16) 0.0246 1.0000 Uani D . . . . .
Ga2 Ga 0.17387(3) 0.25185(3) 0.01720(3) 0.0245 1.0000 Uani D . . . . .
N201 N 0.1039(2) 0.31901(19) 0.01560(18) 0.0260 1.0000 Uani . . . . . .
N202 N 0.1028(2) 0.1806(2) 0.03056(18) 0.0266 1.0000 Uani . . . . . .
C201 C -0.0183(3) 0.3638(3) 0.0138(3) 0.0416 1.0000 Uani . . . . . .
C202 C 0.0312(3) 0.3088(3) 0.0216(2) 0.0326 1.0000 Uani . . . . . .
C203 C -0.0016(2) 0.2485(3) 0.0358(2) 0.0305 1.0000 Uani . . . . . .
C204 C 0.0305(2) 0.1889(2) 0.0386(2) 0.0278 1.0000 Uani . . . . . .
C205 C -0.0193(3) 0.1291(3) 0.0481(3) 0.0368 1.0000 Uani . . . . . .
C211 C 0.1293(3) 0.3852(2) 0.0034(2) 0.0300 1.0000 Uani . . . . . .
C212 C 0.1416(3) 0.3997(3) -0.0543(3) 0.0348 1.0000 Uani . . . . . .
C213 C 0.1618(3) 0.4646(3) -0.0641(3) 0.0461 1.0000 Uani . . . . . .
C214 C 0.1698(3) 0.5130(3) -0.0180(4) 0.0503 1.0000 Uani . . . . . .
C215 C 0.1584(3) 0.4988(3) 0.0395(3) 0.0439 1.0000 Uani . . . . . .
C216 C 0.1372(3) 0.4341(3) 0.0522(3) 0.0351 1.0000 Uani . . . . . .
C217 C 0.1312(4) 0.3475(3) -0.1069(3) 0.0481 1.0000 Uani . . . . . .
C218 C 0.1222(3) 0.4194(3) 0.1153(3) 0.0432 1.0000 Uani . . . . . .
C221 C 0.1265(3) 0.1138(2) 0.0236(2) 0.0309 1.0000 Uani . . . . . .
C222 C 0.1495(3) 0.0833(3) 0.0732(3) 0.0356 1.0000 Uani . . . . . .
C223 C 0.1733(3) 0.0196(3) 0.0633(3) 0.0475 1.0000 Uani . . . . . .
C224 C 0.1751(3) -0.0128(3) 0.0071(4) 0.0518 1.0000 Uani . . . . . .
C225 C 0.1502(3) 0.0172(3) -0.0406(3) 0.0494 1.0000 Uani . . . . . .
C226 C 0.1231(3) 0.0806(3) -0.0334(3) 0.0378 1.0000 Uani . . . . . .
C227 C 0.1448(3) 0.1181(3) 0.1353(3) 0.0438 1.0000 Uani . . . . . .
C228 C 0.0890(5) 0.1084(3) -0.0862(3) 0.0586 1.0000 Uani . . . . . .
C232 C 0.0727(6) 0.3669(7) -0.1503(5) 0.1174 1.0000 Uani . . . . . .
C233 C 0.1930(4) 0.4065(5) 0.1473(3) 0.0667 1.0000 Uani . . . . . .
C234 C 0.0822(5) 0.4741(4) 0.1505(4) 0.0691 1.0000 Uani . . . . . .
C235 C 0.1353(4) 0.0701(5) 0.1833(4) 0.0681 1.0000 Uani . . . . . .
C236 C 0.2108(4) 0.1669(4) 0.1514(3) 0.0537 1.0000 Uani . . . . . .
C237 C 0.1454(8) 0.1268(6) -0.1314(4) 0.1205 1.0000 Uani . . . . . .
C238 C 0.0288(4) 0.0602(4) -0.1155(4) 0.0653 1.0000 Uani . . . . . .
P201 P 0.39657(6) 0.32746(6) 0.03804(5) 0.0252 1.0000 Uani . . . . . .
P202 P 0.37732(6) 0.17056(6) -0.02892(5) 0.0269 1.0000 Uani . . . . . .
C251 C 0.4909(3) 0.3008(3) 0.0294(3) 0.0370 1.0000 Uani . . . . . .
C252 C 0.5074(3) 0.2554(3) -0.0255(3) 0.0404 1.0000 Uani . . . . . .
C253 C 0.4778(3) 0.1840(3) -0.0221(3) 0.0346 1.0000 Uani . . . . . .
C261 C 0.4044(3) 0.4074(2) 0.0050(2) 0.0279 1.0000 Uani . . . . . .
C262 C 0.4107(3) 0.3974(3) -0.0629(2) 0.0339 1.0000 Uani . . . . . .
C263 C 0.4255(3) 0.4632(3) -0.0885(2) 0.0393 1.0000 Uani . . . . . .
C264 C 0.3680(3) 0.5123(3) -0.0706(3) 0.0404 1.0000 Uani . . . . . .
C265 C 0.3598(3) 0.5208(3) -0.0036(3) 0.0373 1.0000 Uani . . . . . .
C266 C 0.3441(3) 0.4542(3) 0.0218(3) 0.0353 1.0000 Uani . . . . . .
C271 C 0.3918(3) 0.3515(3) 0.1183(2) 0.0310 1.0000 Uani . . . . . .
C272 C 0.3760(4) 0.2912(3) 0.1524(3) 0.0456 1.0000 Uani . . . . . .
C273 C 0.3617(5) 0.3119(4) 0.2177(3) 0.0653 1.0000 Uani . . . . . .
C274 C 0.4265(6) 0.3538(4) 0.2452(3) 0.0728 1.0000 Uani . . . . . .
C275 C 0.4440(5) 0.4142(4) 0.2116(3) 0.0616 1.0000 Uani . . . . . .
C276 C 0.4563(4) 0.3940(3) 0.1463(3) 0.0437 1.0000 Uani . . . . . .
C281 C 0.3630(3) 0.1469(3) -0.1095(2) 0.0341 1.0000 Uani . . . . . .
C282 C 0.4208(5) 0.1143(4) -0.1438(4) 0.0418 0.7060(17) Uani . . P 1 1 .
C283 C 0.3959(6) 0.0968(5) -0.2092(4) 0.0495 0.7060(17) Uani . . P 1 1 .
C284 C 0.3788(7) 0.1597(6) -0.2374(5) 0.0529 0.7060(17) Uani . . P 1 1 .
C285 C 0.3197(6) 0.1955(5) -0.2029(4) 0.0496 0.7060(17) Uani . . P 1 1 .
C286 C 0.3426(6) 0.2113(4) -0.1379(4) 0.0404 0.7060(17) Uani . . P 1 1 .
C291 C 0.3608(3) 0.0950(2) 0.0101(2) 0.0313 1.0000 Uani . . . . . .
C292 C 0.3797(3) 0.1115(3) 0.0763(2) 0.0385 1.0000 Uani . . . . . .
C293 C 0.3673(3) 0.0520(3) 0.1123(3) 0.0419 1.0000 Uani . . . . . .
C294 C 0.4092(3) -0.0062(3) 0.0865(3) 0.0423 1.0000 Uani . . . . . .
C295 C 0.3877(3) -0.0239(3) 0.0219(3) 0.0394 1.0000 Uani . . . . . .
C296 C 0.4006(3) 0.0347(3) -0.0146(2) 0.0348 1.0000 Uani . . . . . .
C382 C 0.2946(11) 0.1030(11) -0.1261(10) 0.0448 0.2940(17) Uani . . P 1 2 .
C383 C 0.2857(13) 0.0819(12) -0.1915(10) 0.0569 0.2940(17) Uani . . P 1 2 .
C384 C 0.2969(16) 0.1407(14) -0.2274(11) 0.0736 0.2940(17) Uani . . P 1 2 .
C385 C 0.3681(16) 0.1768(14) -0.2154(11) 0.0532 0.2940(17) Uani . . P 1 2 .
C386 C 0.3802(14) 0.1992(10) -0.1489(9) 0.0409 0.2940(17) Uani . . P 1 2 .
Al1 Al 0.77099(8) 0.24218(7) 0.26136(6) 0.0262 1.0000 Uani . U . . . .
O1 O 0.8123(2) 0.30450(19) 0.22648(16) 0.0743 1.0000 Uani D U . . . .
O2 O 0.7352(2) 0.27379(19) 0.32646(17) 0.0785 1.0000 Uani D U . . . .
O3 O 0.8319(2) 0.1862(2) 0.27491(18) 0.0839 1.0000 Uani D U . . . .
O4 O 0.7057(2) 0.2046(2) 0.2169(2) 0.1050 1.0000 Uani D U . . . .
C111 C 0.82991(14) 0.36595(12) 0.21353(11) 0.0674 1.0000 Uani D U . . . .
C112 C 0.86194(17) 0.40786(16) 0.27090(14) 0.0895 1.0000 Uani D . . . . .
C113 C 0.75896(16) 0.39805(15) 0.19127(13) 0.0819 1.0000 Uani D . . . . .
C114 C 0.88917(16) 0.36353(15) 0.16325(13) 0.0847 1.0000 Uani D . . . . .
C121 C 0.69747(17) 0.27512(14) 0.37561(13) 0.0796 1.0000 Uani D U . . . .
C122 C 0.7097(2) 0.21012(19) 0.40674(19) 0.0948 0.6223(18) Uani D . P 2 1 .
C123 C 0.7242(3) 0.33799(19) 0.41806(18) 0.0960 0.6223(18) Uani D . P 2 1 .
C124 C 0.6147(2) 0.2789(2) 0.3600(2) 0.1061 0.6223(18) Uani D . P 2 1 .
C125 C 0.6692(3) 0.2017(2) 0.3860(2) 0.0792 0.3777(18) Uani D . P 2 2 .
C126 C 0.7485(3) 0.3047(3) 0.4290(2) 0.0997 0.3777(18) Uani D . P 2 2 .
C127 C 0.6299(3) 0.3199(3) 0.3700(2) 0.0951 0.3777(18) Uani D . P 2 2 .
C131 C 0.89394(17) 0.15654(14) 0.27460(13) 0.0867 1.0000 Uani D U . . . .
C132 C 0.9431(2) 0.1811(2) 0.22374(16) 0.1058 0.8242(18) Uani D . P 3 1 .
C133 C 0.8776(2) 0.07939(17) 0.26362(17) 0.1081 0.8242(18) Uani D . P 3 1 .
C134 C 0.9340(2) 0.17405(17) 0.33613(15) 0.0960 0.8242(18) Uani D . P 3 1 .
C135 C 0.9104(4) 0.1278(5) 0.2092(2) 0.0963 0.1758(18) Uani D . P 3 2 .
C136 C 0.8872(3) 0.0984(4) 0.3162(4) 0.0881 0.1758(18) Uani D . P 3 2 .
C137 C 0.9576(3) 0.2084(2) 0.2981(4) 0.0941 0.1758(18) Uani D . P 3 2 .
C141 C 0.66748(19) 0.17086(18) 0.17445(16) 0.1119 1.0000 Uani D U . . . .
C142 C 0.7070(3) 0.1779(3) 0.11396(19) 0.1332 0.7854(18) Uani D . P 4 1 .
C143 C 0.6610(3) 0.0961(2) 0.1871(2) 0.1312 0.7854(18) Uani D . P 4 1 .
C144 C 0.5892(2) 0.1987(2) 0.1721(2) 0.1301 0.7854(18) Uani D . P 4 1 .
C145 C 0.7205(3) 0.1286(5) 0.1334(3) 0.1169 0.2146(18) Uani D . P 4 2 .
C146 C 0.6090(4) 0.1234(4) 0.2024(2) 0.1194 0.2146(18) Uani D . P 4 2 .
C147 C 0.6275(5) 0.2204(3) 0.1369(4) 0.1203 0.2146(18) Uani D . P 4 2 .
F11 F 0.9061(3) 0.3711(3) 0.2982(2) 0.1240 1.0000 Uani D . . . . .
F12 F 0.8981(3) 0.4609(3) 0.2547(2) 0.1290 1.0000 Uani D . . . . .
F13 F 0.8066(3) 0.4249(2) 0.30557(19) 0.0996 1.0000 Uani D . . . . .
F14 F 0.7045(2) 0.3825(2) 0.2251(2) 0.0923 1.0000 Uani D . . . . .
F15 F 0.7453(2) 0.3744(3) 0.1359(2) 0.1253 1.0000 Uani D . . . . .
F16 F 0.7716(2) 0.4632(2) 0.1949(2) 0.0975 1.0000 Uani D . . . . .
F17 F 0.9523(2) 0.3503(3) 0.1866(2) 0.1068 1.0000 Uani D . . . . .
F18 F 0.8943(2) 0.4222(2) 0.1415(2) 0.0998 1.0000 Uani D . . . . .
F19 F 0.8680(3) 0.3169(3) 0.1216(2) 0.1120 1.0000 Uani D . . . . .
F21 F 0.6544(4) 0.2001(3) 0.4422(3) 0.0996 0.6223(18) Uani D . P 2 1 .
F22 F 0.7128(5) 0.1600(3) 0.3652(3) 0.1152 0.6223(18) Uani D . P 2 1 .
F23 F 0.7717(4) 0.2185(3) 0.4372(4) 0.1295 0.6223(18) Uani D . P 2 1 .
F24 F 0.7970(3) 0.3440(3) 0.4167(3) 0.1053 0.6223(18) Uani D . P 2 1 .
F25 F 0.6951(4) 0.3912(2) 0.3987(3) 0.1073 0.6223(18) Uani D . P 2 1 .
F26 F 0.7019(5) 0.3295(3) 0.4723(3) 0.1427 0.6223(18) Uani D . P 2 1 .
F27 F 0.5891(3) 0.2197(4) 0.3385(4) 0.1501 0.6223(18) Uani D . P 2 1 .
F28 F 0.6086(3) 0.3221(4) 0.3199(4) 0.1256 0.6223(18) Uani D . P 2 1 .
F29 F 0.5804(3) 0.2984(5) 0.4083(3) 0.1289 0.6223(18) Uani D . P 2 1 .
F31 F 0.9910(3) 0.1366(3) 0.2098(3) 0.1678 0.8242(18) Uani D . P 3 1 .
F32 F 0.9766(3) 0.2383(3) 0.2432(2) 0.1138 0.8242(18) Uani D . P 3 1 .
F33 F 0.9003(3) 0.1883(3) 0.1773(2) 0.1258 0.8242(18) Uani D . P 3 1 .
F34 F 0.8623(5) 0.0644(2) 0.2073(3) 0.1602 0.8242(18) Uani D . P 3 1 .
F35 F 0.8216(4) 0.0629(2) 0.2962(3) 0.1365 0.8242(18) Uani D . P 3 1 .
F36 F 0.9369(3) 0.0495(2) 0.2791(3) 0.1412 0.8242(18) Uani D . P 3 1 .
F37 F 1.0045(3) 0.1602(4) 0.3300(2) 0.1328 0.8242(18) Uani D U P 3 1 .
F38 F 0.9020(3) 0.1377(3) 0.37560(18) 0.0952 0.8242(18) Uani D . P 3 1 .
F39 F 0.9282(4) 0.2375(3) 0.3520(2) 0.1321 0.8242(18) Uani D . P 3 1 .
F41 F 0.6798(5) 0.1314(4) 0.0749(2) 0.1863 0.7854(18) Uani D . P 4 1 .
F42 F 0.7778(4) 0.1714(5) 0.1220(3) 0.1578 0.7854(18) Uani D . P 4 1 .
F43 F 0.6954(5) 0.2371(4) 0.0970(3) 0.1486 0.7854(18) Uani D . P 4 1 .
F44 F 0.6066(5) 0.0660(3) 0.1541(4) 0.1466 0.7854(18) Uani D . P 4 1 .
F45 F 0.7236(4) 0.0693(3) 0.1733(4) 0.1727 0.7854(18) Uani D . P 4 1 .
F46 F 0.6474(5) 0.0931(3) 0.2438(3) 0.1576 0.7854(18) Uani D . P 4 1 .
F47 F 0.5576(3) 0.1761(5) 0.1209(3) 0.1772 0.7854(18) Uani D . P 4 1 .
F48 F 0.5513(3) 0.1784(4) 0.2164(4) 0.1599 0.7854(18) Uani D . P 4 1 .
F49 F 0.5964(3) 0.2639(3) 0.1766(5) 0.1578 0.7854(18) Uani D . P 4 1 .
F121 F 0.6304(6) 0.2039(3) 0.4347(4) 0.0888 0.3777(18) Uani D . P 2 2 .
F122 F 0.6286(6) 0.1777(4) 0.3402(4) 0.1010 0.3777(18) Uani D . P 2 2 .
F123 F 0.7267(5) 0.1658(3) 0.3914(6) 0.0924 0.3777(18) Uani D . P 2 2 .
F124 F 0.8086(5) 0.2712(6) 0.4281(5) 0.1345 0.3777(18) Uani D . P 2 2 .
F125 F 0.7646(7) 0.3675(4) 0.4226(4) 0.1153 0.3777(18) Uani D . P 2 2 .
F126 F 0.7130(5) 0.2985(7) 0.4787(3) 0.1380 0.3777(18) Uani D . P 2 2 .
F127 F 0.5765(4) 0.2838(5) 0.3413(6) 0.1238 0.3777(18) Uani D . P 2 2 .
F128 F 0.6505(5) 0.3700(5) 0.3409(6) 0.1355 0.3777(18) Uani D . P 2 2 .
F129 F 0.6088(6) 0.3409(6) 0.4244(3) 0.1170 0.3777(18) Uani D . P 2 2 .
F131 F 0.9612(9) 0.0848(9) 0.2113(3) 0.1114 0.1758(18) Uani D . P 3 2 .
F132 F 0.9333(11) 0.1773(7) 0.1790(4) 0.0959 0.1758(18) Uani D . P 3 2 .
F133 F 0.8494(6) 0.0988(10) 0.1855(5) 0.1121 0.1758(18) Uani D . P 3 2 .
F134 F 0.9128(12) 0.0450(5) 0.2878(7) 0.0884 0.1758(18) Uani D . P 3 2 .
F135 F 0.8173(5) 0.0878(8) 0.3290(9) 0.0872 0.1758(18) Uani D . P 3 2 .
F136 F 0.9261(10) 0.1162(8) 0.3650(6) 0.0978 0.1758(18) Uani D . P 3 2 .
F137 F 1.0033(7) 0.2168(9) 0.2543(7) 0.0983 0.1758(18) Uani D . P 3 2 .
F138 F 0.9916(9) 0.1848(7) 0.3426(8) 0.1155 0.1758(18) Uani D U P 3 2 .
F139 F 0.9284(4) 0.2647(5) 0.3160(10) 0.1029 0.1758(18) Uani D . P 3 2 .
F141 F 0.6971(7) 0.0658(5) 0.1309(8) 0.1097 0.2146(18) Uani D . P 4 2 .
F142 F 0.7870(4) 0.1366(9) 0.1565(7) 0.1351 0.2146(18) Uani D . P 4 2 .
F143 F 0.7194(9) 0.1497(9) 0.0802(4) 0.1245 0.2146(18) Uani D . P 4 2 .
F144 F 0.5689(10) 0.0913(10) 0.1590(4) 0.1277 0.2146(18) Uani D . P 4 2 .
F145 F 0.6438(8) 0.0815(8) 0.2319(9) 0.1311 0.2146(18) Uani D . P 4 2 .
F146 F 0.5675(9) 0.1598(7) 0.2384(9) 0.1307 0.2146(18) Uani D . P 4 2 .
F147 F 0.6282(12) 0.1972(7) 0.0805(4) 0.1250 0.2146(18) Uani D . P 4 2 .
F148 F 0.5593(7) 0.2243(10) 0.1556(9) 0.1180 0.2146(18) Uani D . P 4 2 .
F149 F 0.6630(11) 0.2787(5) 0.1448(9) 0.1422 0.2146(18) Uani D . P 4 2 .
Al2 Al 0.25951(8) 0.74991(7) 0.23696(7) 0.0299 1.0000 Uani . U . . . .
O5 O 0.3159(4) 0.6865(4) 0.2453(4) 0.0443 0.575(7) Uani . U P 5 1 .
O6 O 0.1855(5) 0.7404(5) 0.2798(4) 0.0453 0.534(7) Uani . U P 6 1 .
O7 O 0.2386(5) 0.7454(4) 0.1608(3) 0.0387 0.572(6) Uani . U P 7 1 .
O8 O 0.2991(2) 0.8261(2) 0.2617(2) 0.0882 0.9469(17) Uani D U P 9 1 .
O15 O 0.3244(8) 0.6989(7) 0.2194(7) 0.0691 0.425(7) Uani . U P 5 2 .
O16 O 0.2041(6) 0.7155(7) 0.2906(5) 0.0530 0.466(7) Uani . U P 6 2 .
O17 O 0.2069(6) 0.7623(7) 0.1786(6) 0.0524 0.428(6) Uani . U P 7 2 .
O18 O 0.304(2) 0.8221(15) 0.2554(16) 0.0700 0.0531(17) Uani D U P 9 2 .
C151 C 0.3716(3) 0.6506(3) 0.2221(3) 0.0438 1.0000 Uani . U . . . .
C152 C 0.3769(4) 0.6053(4) 0.2726(3) 0.0592 1.0000 Uani . U . . . .
C153 C 0.4462(4) 0.6904(4) 0.2178(3) 0.0539 1.0000 Uani . . . . . .
C154 C 0.3554(5) 0.6094(4) 0.1622(4) 0.0687 1.0000 Uani . . . . . .
C161 C 0.1356(4) 0.6952(4) 0.3045(3) 0.0596 1.0000 Uani . U . . . .
C162 C 0.1182(5) 0.6313(5) 0.2640(5) 0.0824 1.0000 Uani . . . . . .
C163 C 0.0705(5) 0.7387(5) 0.3046(4) 0.0782 1.0000 Uani . . . . . .
C164 C 0.1523(5) 0.6806(6) 0.3688(4) 0.0824 1.0000 Uani . . . . . .
C171 C 0.2118(4) 0.7794(3) 0.1177(3) 0.0570 1.0000 Uani . U . . . .
C172 C 0.2127(6) 0.7245(4) 0.0643(5) 0.0829 1.0000 Uani . . . . . .
C173 C 0.2707(4) 0.8337(4) 0.1058(4) 0.0632 1.0000 Uani . . . . . .
C174 C 0.1365(5) 0.8081(5) 0.1205(4) 0.0754 1.0000 Uani . . . . . .
C181 C 0.32480(16) 0.87235(13) 0.30328(14) 0.0925 0.9469(17) Uani D U P 9 1 .
C182 C 0.31304(19) 0.84607(17) 0.36688(15) 0.1032 0.9469(17) Uani D . P 9 1 .
C183 C 0.28194(18) 0.93757(17) 0.29901(19) 0.1094 0.9469(17) Uani D . P 9 1 .
C184 C 0.40900(17) 0.88730(15) 0.29300(17) 0.0950 0.9469(17) Uani D . P 9 1 .
C185 C 0.3308(15) 0.8705(12) 0.2934(12) 0.0694 0.0531(17) Uani D U P 9 2 .
C186 C 0.2662(15) 0.9127(14) 0.3188(15) 0.0695 0.0531(17) Uani D . P 9 2 .
C187 C 0.3869(18) 0.9156(16) 0.2604(14) 0.0683 0.0531(17) Uani D . P 9 2 .
C188 C 0.3710(18) 0.8400(14) 0.3455(15) 0.0702 0.0531(17) Uani D . P 9 2 .
F51 F 0.3234(3) 0.5568(3) 0.2668(3) 0.0934 1.0000 Uani . . . . . .
F52 F 0.3738(4) 0.6373(3) 0.3249(2) 0.0985 1.0000 Uani . . . . . .
F53 F 0.4383(2) 0.5734(2) 0.2714(2) 0.0640 1.0000 Uani . . . . . .
F54 F 0.4725(3) 0.7098(3) 0.2720(2) 0.0876 1.0000 Uani . . . . . .
F55 F 0.4374(3) 0.7426(2) 0.1889(3) 0.0852 1.0000 Uani . . . . . .
F56 F 0.4965(3) 0.6558(3) 0.1910(3) 0.0844 1.0000 Uani . . . . . .
F57 F 0.2848(4) 0.5900(3) 0.1592(3) 0.1268 1.0000 Uani . . . . . .
F58 F 0.3718(4) 0.6453(3) 0.1173(2) 0.0954 1.0000 Uani . . . . . .
F59 F 0.3929(4) 0.5554(2) 0.1558(2) 0.0991 1.0000 Uani . . . . . .
F61 F 0.0507(3) 0.6057(3) 0.2725(3) 0.0947 1.0000 Uani . . . . . .
F62 F 0.1230(4) 0.6414(3) 0.2080(2) 0.1057 1.0000 Uani . . . . . .
F63 F 0.1651(4) 0.5862(4) 0.2768(4) 0.1292 1.0000 Uani . . . . . .
F64 F 0.0155(3) 0.7173(4) 0.3377(3) 0.1079 1.0000 Uani . . . . . .
F65 F 0.0443(4) 0.7408(3) 0.2502(3) 0.0988 1.0000 Uani . . . . . .
F66 F 0.0858(4) 0.8004(3) 0.3260(3) 0.1197 1.0000 Uani . . . . . .
F67 F 0.1033(3) 0.6369(4) 0.3883(3) 0.1011 1.0000 Uani . . . . . .
F68 F 0.1523(3) 0.7355(4) 0.4055(2) 0.1023 1.0000 Uani . . . . . .
F69 F 0.2183(3) 0.6567(5) 0.3727(3) 0.1310 1.0000 Uani . . . . . .
F71 F 0.1793(3) 0.7423(3) 0.0164(2) 0.0801 1.0000 Uani . . . . . .
F72 F 0.1781(4) 0.6697(3) 0.0777(3) 0.1244 1.0000 Uani . . . . . .
F73 F 0.2813(4) 0.7108(3) 0.0482(4) 0.1236 1.0000 Uani . . . . . .
F74 F 0.2699(3) 0.8481(3) 0.0499(3) 0.0836 1.0000 Uani . . . . . .
F75 F 0.3368(3) 0.8167(3) 0.1193(3) 0.0955 1.0000 Uani . . . . . .
F76 F 0.2604(3) 0.8893(2) 0.1385(3) 0.0836 1.0000 Uani . . . . . .
F77 F 0.1243(3) 0.8480(3) 0.0784(3) 0.0818 1.0000 Uani . . . . . .
F78 F 0.1293(4) 0.8420(4) 0.1726(3) 0.1206 1.0000 Uani . . . . . .
F79 F 0.0832(3) 0.7600(4) 0.1153(3) 0.1011 1.0000 Uani . . . . . .
F81 F 0.3576(3) 0.8813(3) 0.40527(19) 0.1306 0.9469(17) Uani D . P 9 1 .
F82 F 0.3281(3) 0.7828(2) 0.36334(19) 0.1026 0.9469(17) Uani D . P 9 1 .
F83 F 0.2448(3) 0.8532(3) 0.3819(2) 0.1347 0.9469(17) Uani D . P 9 1 .
F84 F 0.2941(3) 0.9765(2) 0.3482(3) 0.1384 0.9469(17) Uani D . P 9 1 .
F85 F 0.2119(3) 0.9209(2) 0.2924(3) 0.1513 0.9469(17) Uani D . P 9 1 .
F86 F 0.3064(3) 0.9670(2) 0.2528(3) 0.1261 0.9469(17) Uani D . P 9 1 .
F87 F 0.4298(2) 0.9431(2) 0.3248(3) 0.1189 0.9469(17) Uani D . P 9 1 .
F88 F 0.4189(2) 0.8930(3) 0.2362(3) 0.1175 0.9469(17) Uani D . P 9 1 .
F89 F 0.4448(2) 0.8382(2) 0.3099(3) 0.1030 0.9469(17) Uani D . P 9 1 .
F181 F 0.269(2) 0.9696(16) 0.295(2) 0.0722 0.0531(17) Uani D . P 9 2 .
F182 F 0.274(2) 0.923(3) 0.3769(16) 0.0757 0.0531(17) Uani D . P 9 2 .
F183 F 0.2036(15) 0.879(2) 0.305(3) 0.0645 0.0531(17) Uani D . P 9 2 .
F184 F 0.435(2) 0.944(3) 0.2997(19) 0.0634 0.0531(17) Uani D . P 9 2 .
F185 F 0.350(2) 0.961(2) 0.236(2) 0.0703 0.0531(17) Uani D . P 9 2 .
F186 F 0.420(3) 0.878(2) 0.219(2) 0.0694 0.0531(17) Uani D . P 9 2 .
F187 F 0.403(3) 0.8889(19) 0.3806(18) 0.0735 0.0531(17) Uani D . P 9 2 .
F188 F 0.420(2) 0.800(2) 0.322(2) 0.0711 0.0531(17) Uani D . P 9 2 .
F189 F 0.322(2) 0.806(3) 0.375(2) 0.0694 0.0531(17) Uani D . P 9 2 .
H31 H 1.0649 0.7564 0.5089 0.0317 1.0000 Uiso R . . . . .
H53 H 1.0062 0.9006 0.4608 0.0427 1.0000 Uiso R . . . . .
H52 H 1.0620 0.8816 0.5074 0.0427 1.0000 Uiso R . . . . .
H51 H 1.0656 0.8514 0.4422 0.0427 1.0000 Uiso R . . . . .
H131 H 0.8120 0.5234 0.6224 0.0551 1.0000 Uiso R . . . . .
H141 H 0.8120 0.4431 0.5428 0.0614 1.0000 Uiso R . . . . .
H151 H 0.8540 0.4696 0.4520 0.0562 1.0000 Uiso R . . . . .
H171 H 0.8766 0.6921 0.6208 0.0607 1.0000 Uiso R . . . . .
H181 H 0.9440 0.6207 0.4233 0.0478 1.0000 Uiso R . . . . .
H231 H 0.8319 0.9575 0.3580 0.0516 1.0000 Uiso R . . . . .
H241 H 0.8124 1.0381 0.4346 0.0507 1.0000 Uiso R . . . . .
H251 H 0.8408 1.0206 0.5321 0.0440 1.0000 Uiso R . . . . .
H271 H 0.9141 0.8059 0.3715 0.0495 1.0000 Uiso R . . . . .
H281 H 0.9296 0.8825 0.5767 0.0393 1.0000 Uiso R . . . . .
H312 H 0.7783 0.6966 0.6856 0.0914 1.0000 Uiso R . . . . .
H311 H 0.7533 0.6246 0.6628 0.0914 1.0000 Uiso R . . . . .
H313 H 0.7499 0.6805 0.6209 0.0914 1.0000 Uiso R . . . . .
H322 H 0.8990 0.6625 0.7162 0.1185 1.0000 Uiso R . . . . .
H321 H 0.9471 0.6228 0.6712 0.1185 1.0000 Uiso R . . . . .
H323 H 0.8761 0.5897 0.6944 0.1185 1.0000 Uiso R . . . . .
H332 H 0.8807 0.5981 0.3343 0.0628 1.0000 Uiso R . . . . .
H331 H 0.8277 0.6246 0.3829 0.0628 1.0000 Uiso R . . . . .
H333 H 0.8275 0.5493 0.3636 0.0628 1.0000 Uiso R . . . . .
H341 H 0.9867 0.5363 0.3580 0.0685 1.0000 Uiso R . . . . .
H343 H 1.0043 0.5235 0.4228 0.0685 1.0000 Uiso R . . . . .
H342 H 0.9391 0.4848 0.3891 0.0685 1.0000 Uiso R . . . . .
H353 H 0.8206 0.7666 0.3059 0.0904 1.0000 Uiso R . . . . .
H352 H 0.7790 0.8296 0.3248 0.0904 1.0000 Uiso R . . . . .
H351 H 0.7901 0.7776 0.3695 0.0904 1.0000 Uiso R . . . . .
H363 H 0.9266 0.8308 0.2748 0.0784 1.0000 Uiso R . . . . .
H362 H 0.9667 0.8866 0.3161 0.0784 1.0000 Uiso R . . . . .
H361 H 0.8898 0.8970 0.2905 0.0784 1.0000 Uiso R . . . . .
H373 H 0.8495 0.8977 0.6547 0.0660 1.0000 Uiso R . . . . .
H372 H 0.8011 0.9377 0.6162 0.0660 1.0000 Uiso R . . . . .
H371 H 0.8091 0.8628 0.5991 0.0660 1.0000 Uiso R . . . . .
H383 H 0.9563 0.9725 0.6463 0.0622 1.0000 Uiso R . . . . .
H382 H 0.9861 0.9870 0.5847 0.0622 1.0000 Uiso R . . . . .
H381 H 0.9141 1.0169 0.6072 0.0622 1.0000 Uiso R . . . . .
H512 H 0.4989 0.6703 0.4628 0.0365 1.0000 Uiso R . . . . .
H511 H 0.5124 0.6570 0.3954 0.0365 1.0000 Uiso R . . . . .
H521 H 0.5548 0.7692 0.3975 0.0409 1.0000 Uiso R . . . . .
H522 H 0.4714 0.7600 0.4084 0.0409 1.0000 Uiso R . . . . .
H532 H 0.5030 0.8367 0.4819 0.0395 1.0000 Uiso R . . . . .
H531 H 0.5089 0.7727 0.5136 0.0395 1.0000 Uiso R . . . . .
H611 H 0.6981 0.6008 0.3828 0.0300 1.0000 Uiso R . . . . .
H622 H 0.6896 0.6985 0.3415 0.0534 1.0000 Uiso R . . . . .
H621 H 0.6102 0.6771 0.3206 0.0534 1.0000 Uiso R . . . . .
H631 H 0.7356 0.6154 0.2789 0.0772 1.0000 Uiso R . . . . .
H632 H 0.6868 0.6558 0.2411 0.0772 1.0000 Uiso R . . . . .
H642 H 0.6632 0.5416 0.2179 0.0750 1.0000 Uiso R . . . . .
H641 H 0.5934 0.5759 0.2400 0.0750 1.0000 Uiso R . . . . .
H652 H 0.6809 0.5040 0.3085 0.0596 1.0000 Uiso R . . . . .
H651 H 0.6024 0.4808 0.2866 0.0596 1.0000 Uiso R . . . . .
H661 H 0.6014 0.5232 0.3861 0.0453 1.0000 Uiso R . . . . .
H662 H 0.5543 0.5649 0.3481 0.0453 1.0000 Uiso R . . . . .
H711 H 0.5620 0.5668 0.4773 0.0273 1.0000 Uiso R . . . . .
H721 H 0.7037 0.5695 0.5222 0.0414 1.0000 Uiso R . . . . .
H722 H 0.6780 0.5288 0.4638 0.0414 1.0000 Uiso R . . . . .
H732 H 0.6749 0.4619 0.5438 0.0548 1.0000 Uiso R . . . . .
H731 H 0.5981 0.4640 0.5150 0.0548 1.0000 Uiso R . . . . .
H742 H 0.6436 0.5346 0.6210 0.0710 1.0000 Uiso R . . . . .
H741 H 0.5840 0.4773 0.6150 0.0710 1.0000 Uiso R . . . . .
H751 H 0.5330 0.5804 0.6294 0.0559 1.0000 Uiso R . . . . .
H752 H 0.5060 0.5415 0.5704 0.0559 1.0000 Uiso R . . . . .
H762 H 0.6159 0.6434 0.5780 0.0450 1.0000 Uiso R . . . . .
H761 H 0.5383 0.6497 0.5517 0.0450 1.0000 Uiso R . . . . .
H811 H 0.6931 0.9131 0.4767 0.0308 1.0000 Uiso R . . . . .
H822 H 0.6135 0.9674 0.5393 0.0391 1.0000 Uiso R . . . . .
H821 H 0.5493 0.9480 0.4949 0.0391 1.0000 Uiso R . . . . .
H831 H 0.6676 1.0354 0.4748 0.0448 1.0000 Uiso R . . . . .
H832 H 0.5882 1.0564 0.4860 0.0448 1.0000 Uiso R . . . . .
H841 H 0.6144 1.0518 0.3850 0.0490 1.0000 Uiso R . . . . .
H842 H 0.5506 1.0015 0.3962 0.0490 1.0000 Uiso R . . . . .
H851 H 0.6946 0.9684 0.3782 0.0505 1.0000 Uiso R . . . . .
H852 H 0.6310 0.9486 0.3334 0.0505 1.0000 Uiso R . . . . .
H861 H 0.6599 0.8595 0.3867 0.0415 1.0000 Uiso R . . . . .
H862 H 0.5791 0.8770 0.3962 0.0415 1.0000 Uiso R . . . . .
H911 H 0.6536 0.8882 0.5909 0.0379 1.0000 Uiso R . . . . .
H921 H 0.7065 0.7896 0.6083 0.0469 1.0000 Uiso R . . . . .
H922 H 0.6297 0.7604 0.6235 0.0469 1.0000 Uiso R . . . . .
H932 H 0.6979 0.8717 0.6870 0.0592 1.0000 Uiso R . . . . .
H931 H 0.6927 0.8024 0.7107 0.0592 1.0000 Uiso R . . . . .
H942 H 0.6030 0.8680 0.7526 0.0649 1.0000 Uiso R . . . . .
H941 H 0.5669 0.8075 0.7144 0.0649 1.0000 Uiso R . . . . .
H951 H 0.5840 0.9344 0.6768 0.0658 1.0000 Uiso R . . . . .
H952 H 0.5089 0.9006 0.6905 0.0658 1.0000 Uiso R . . . . .
H962 H 0.5280 0.8957 0.5881 0.0555 1.0000 Uiso R . . . . .
H961 H 0.5185 0.8253 0.6091 0.0555 1.0000 Uiso R . . . . .
H3123 H 1.0756 0.6589 0.5401 0.0421 1.0000 Uiso R . . . . .
H3122 H 1.0118 0.6332 0.5779 0.0421 1.0000 Uiso R . . . . .
H3121 H 1.0198 0.6043 0.5127 0.0421 1.0000 Uiso R . . . . .
H2313 H 0.1928 0.3042 -0.1717 0.0937 1.0000 Uiso R . . . . .
H2312 H 0.2176 0.3775 -0.1536 0.0937 1.0000 Uiso R . . . . .
H2311 H 0.2372 0.3231 -0.1135 0.0937 1.0000 Uiso R . . . . .
H2011 H -0.0676 0.3487 0.0194 0.0480 1.0000 Uiso R . . . . .
H2013 H -0.0057 0.4002 0.0420 0.0480 1.0000 Uiso R . . . . .
H2012 H -0.0131 0.3772 -0.0250 0.0480 1.0000 Uiso R . . . . .
H2031 H -0.0522 0.2488 0.0445 0.0339 1.0000 Uiso R . . . . .
H2052 H 0.0091 0.0915 0.0493 0.0415 1.0000 Uiso R . . . . .
H2051 H -0.0447 0.1365 0.0843 0.0415 1.0000 Uiso R . . . . .
H2053 H -0.0536 0.1217 0.0162 0.0415 1.0000 Uiso R . . . . .
H2131 H 0.1700 0.4751 -0.1036 0.0538 1.0000 Uiso R . . . . .
H2141 H 0.1833 0.5571 -0.0259 0.0575 1.0000 Uiso R . . . . .
H2151 H 0.1645 0.5328 0.0710 0.0490 1.0000 Uiso R . . . . .
H2171 H 0.1146 0.3067 -0.0931 0.0539 1.0000 Uiso R . . . . .
H2181 H 0.0914 0.3802 0.1138 0.0495 1.0000 Uiso R . . . . .
H2231 H 0.1885 -0.0026 0.0960 0.0549 1.0000 Uiso R . . . . .
H2241 H 0.1932 -0.0558 0.0013 0.0599 1.0000 Uiso R . . . . .
H2251 H 0.1526 -0.0051 -0.0792 0.0560 1.0000 Uiso R . . . . .
H2271 H 0.1029 0.1438 0.1361 0.0488 1.0000 Uiso R . . . . .
H2281 H 0.0650 0.1465 -0.0708 0.0672 1.0000 Uiso R . . . . .
H2322 H 0.0666 0.3341 -0.1829 0.1274 1.0000 Uiso R . . . . .
H2321 H 0.0890 0.4078 -0.1641 0.1274 1.0000 Uiso R . . . . .
H2323 H 0.0273 0.3719 -0.1308 0.1274 1.0000 Uiso R . . . . .
H2332 H 0.1824 0.3978 0.1868 0.0768 1.0000 Uiso R . . . . .
H2331 H 0.2262 0.4441 0.1476 0.0768 1.0000 Uiso R . . . . .
H2333 H 0.2142 0.3693 0.1272 0.0768 1.0000 Uiso R . . . . .
H2342 H 0.0745 0.4623 0.1896 0.0797 1.0000 Uiso R . . . . .
H2341 H 0.1109 0.5145 0.1519 0.0797 1.0000 Uiso R . . . . .
H2343 H 0.0363 0.4792 0.1321 0.0797 1.0000 Uiso R . . . . .
H2353 H 0.1328 0.0940 0.2212 0.0735 1.0000 Uiso R . . . . .
H2352 H 0.1755 0.0423 0.1827 0.0735 1.0000 Uiso R . . . . .
H2351 H 0.0913 0.0438 0.1755 0.0735 1.0000 Uiso R . . . . .
H2363 H 0.2057 0.1874 0.1905 0.0593 1.0000 Uiso R . . . . .
H2362 H 0.2542 0.1431 0.1494 0.0593 1.0000 Uiso R . . . . .
H2361 H 0.2137 0.1997 0.1243 0.0593 1.0000 Uiso R . . . . .
H2371 H 0.1188 0.1438 -0.1622 0.1502 1.0000 Uiso R . . . . .
H2373 H 0.1790 0.1603 -0.1137 0.1502 1.0000 Uiso R . . . . .
H2372 H 0.1715 0.0902 -0.1473 0.1502 1.0000 Uiso R . . . . .
H2381 H 0.0080 0.0792 -0.1480 0.0767 1.0000 Uiso R . . . . .
H2383 H 0.0501 0.0201 -0.1292 0.0767 1.0000 Uiso R . . . . .
H2382 H -0.0083 0.0514 -0.0878 0.0767 1.0000 Uiso R . . . . .
H2511 H 0.5225 0.3394 0.0297 0.0418 1.0000 Uiso R . . . . .
H2512 H 0.5017 0.2777 0.0626 0.0418 1.0000 Uiso R . . . . .
H2521 H 0.5588 0.2558 -0.0309 0.0449 1.0000 Uiso R . . . . .
H2522 H 0.4849 0.2719 -0.0586 0.0449 1.0000 Uiso R . . . . .
H2532 H 0.4990 0.1568 -0.0529 0.0386 1.0000 Uiso R . . . . .
H2531 H 0.4925 0.1710 0.0152 0.0386 1.0000 Uiso R . . . . .
H2611 H 0.4489 0.4292 0.0197 0.0316 1.0000 Uiso R . . . . .
H2622 H 0.4500 0.3699 -0.0727 0.0373 1.0000 Uiso R . . . . .
H2621 H 0.3665 0.3770 -0.0796 0.0373 1.0000 Uiso R . . . . .
H2631 H 0.4717 0.4817 -0.0741 0.0434 1.0000 Uiso R . . . . .
H2632 H 0.4265 0.4558 -0.1305 0.0434 1.0000 Uiso R . . . . .
H2641 H 0.3820 0.5538 -0.0843 0.0445 1.0000 Uiso R . . . . .
H2642 H 0.3226 0.4963 -0.0884 0.0445 1.0000 Uiso R . . . . .
H2652 H 0.4038 0.5409 0.0138 0.0410 1.0000 Uiso R . . . . .
H2651 H 0.3205 0.5484 0.0058 0.0410 1.0000 Uiso R . . . . .
H2661 H 0.3415 0.4612 0.0637 0.0393 1.0000 Uiso R . . . . .
H2662 H 0.2987 0.4350 0.0062 0.0393 1.0000 Uiso R . . . . .
H2711 H 0.3503 0.3775 0.1236 0.0330 1.0000 Uiso R . . . . .
H2721 H 0.4171 0.2645 0.1496 0.0516 1.0000 Uiso R . . . . .
H2722 H 0.3343 0.2665 0.1354 0.0516 1.0000 Uiso R . . . . .
H2732 H 0.3200 0.3378 0.2209 0.0757 1.0000 Uiso R . . . . .
H2731 H 0.3533 0.2737 0.2382 0.0757 1.0000 Uiso R . . . . .
H2741 H 0.4181 0.3663 0.2859 0.0902 1.0000 Uiso R . . . . .
H2742 H 0.4680 0.3276 0.2416 0.0902 1.0000 Uiso R . . . . .
H2751 H 0.4862 0.4385 0.2282 0.0708 1.0000 Uiso R . . . . .
H2752 H 0.4031 0.4411 0.2153 0.0708 1.0000 Uiso R . . . . .
H2762 H 0.4639 0.4323 0.1256 0.0522 1.0000 Uiso R . . . . .
H2761 H 0.4987 0.3688 0.1432 0.0522 1.0000 Uiso R . . . . .
H2811 H 0.3210 0.1173 -0.1133 0.0390 0.7060(17) Uiso R . P 1 1 .
H2812 H 0.4014 0.1184 -0.1199 0.0390 0.2940(17) Uiso R . P 1 2 .
H2821 H 0.4634 0.1432 -0.1429 0.0472 0.7060(17) Uiso R . P 1 1 .
H2822 H 0.4316 0.0751 -0.1265 0.0472 0.7060(17) Uiso R . P 1 1 .
H2832 H 0.4330 0.0743 -0.2305 0.0569 0.7060(17) Uiso R . P 1 1 .
H2831 H 0.3524 0.0690 -0.2102 0.0569 0.7060(17) Uiso R . P 1 1 .
H2841 H 0.4221 0.1878 -0.2359 0.0629 0.7060(17) Uiso R . P 1 1 .
H2842 H 0.3635 0.1494 -0.2774 0.0629 0.7060(17) Uiso R . P 1 1 .
H2852 H 0.3105 0.2353 -0.2198 0.0578 0.7060(17) Uiso R . P 1 1 .
H2851 H 0.2765 0.1673 -0.2052 0.0578 0.7060(17) Uiso R . P 1 1 .
H2861 H 0.3833 0.2425 -0.1352 0.0447 0.7060(17) Uiso R . P 1 1 .
H2862 H 0.3028 0.2297 -0.1167 0.0447 0.7060(17) Uiso R . P 1 1 .
H2911 H 0.3099 0.0835 0.0072 0.0341 1.0000 Uiso R . . . . .
H2921 H 0.4296 0.1269 0.0801 0.0459 1.0000 Uiso R . . . . .
H2922 H 0.3495 0.1455 0.0917 0.0459 1.0000 Uiso R . . . . .
H2932 H 0.3831 0.0642 0.1520 0.0465 1.0000 Uiso R . . . . .
H2931 H 0.3166 0.0391 0.1117 0.0465 1.0000 Uiso R . . . . .
H2941 H 0.4601 0.0057 0.0888 0.0476 1.0000 Uiso R . . . . .
H2942 H 0.3990 -0.0431 0.1085 0.0476 1.0000 Uiso R . . . . .
H2951 H 0.4154 -0.0594 0.0058 0.0430 1.0000 Uiso R . . . . .
H2952 H 0.3372 -0.0372 0.0200 0.0430 1.0000 Uiso R . . . . .
H2962 H 0.4517 0.0460 -0.0146 0.0385 1.0000 Uiso R . . . . .
H2961 H 0.3840 0.0225 -0.0541 0.0385 1.0000 Uiso R . . . . .
H3822 H 0.2960 0.0648 -0.1050 0.0475 0.2940(17) Uiso R . P 1 2 .
H3821 H 0.2538 0.1274 -0.1135 0.0475 0.2940(17) Uiso R . P 1 2 .
H3831 H 0.3202 0.0500 -0.2034 0.0676 0.2940(17) Uiso R . P 1 2 .
H3832 H 0.2376 0.0628 -0.1984 0.0676 0.2940(17) Uiso R . P 1 2 .
H3842 H 0.2919 0.1264 -0.2684 0.0686 0.2940(17) Uiso R . P 1 2 .
H3841 H 0.2604 0.1708 -0.2164 0.0686 0.2940(17) Uiso R . P 1 2 .
H3851 H 0.3722 0.2142 -0.2377 0.0571 0.2940(17) Uiso R . P 1 2 .
H3852 H 0.4057 0.1479 -0.2265 0.0571 0.2940(17) Uiso R . P 1 2 .
H3861 H 0.4278 0.2191 -0.1405 0.0440 0.2940(17) Uiso R . P 1 2 .
H3862 H 0.3448 0.2310 -0.1397 0.0440 0.2940(17) Uiso R . P 1 2 .
H1 H 0.7604(4) 0.6948(4) 0.4696(4) 0.0282(19) 1.0000 Uiso D . . . . .
H2 H 0.7608(4) 0.7920(4) 0.5041(4) 0.0281(19) 1.0000 Uiso D . . . . .
H21 H 0.2450(4) 0.2071(4) -0.0145(4) 0.0306(19) 1.0000 Uiso D . . . . .
H22 H 0.2542(4) 0.3025(4) 0.0262(4) 0.0314(19) 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'
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'
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'
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'
Al 0.2130 0.2455 6.4202 3.0387 1.9002 0.7426 1.5936 31.5472 1.9646 85.0886
1.1151 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 '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'
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'
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 . 132.84(3) yes
Ga1 . Rh1 . P2 . 131.98(3) yes
P1 . Rh1 . P2 . 95.18(4) yes
Ga1 . Rh1 . H1 . 47.4(3) no
P1 . Rh1 . H1 . 85.4(3) no
P2 . Rh1 . H1 . 179.3(3) no
Ga1 . Rh1 . H2 . 47.4(3) no
P1 . Rh1 . H2 . 179.6(4) no
P2 . Rh1 . H2 . 84.6(3) no
H1 . Rh1 . H2 . 94.836(10) no
Rh1 . Ga1 . N1 . 133.77(11) yes
Rh1 . Ga1 . N2 . 130.23(11) yes
N1 . Ga1 . N2 . 96.00(16) yes
Rh1 . Ga1 . H1 . 36.0(2) no
N1 . Ga1 . H1 . 102.9(3) no
N2 . Ga1 . H1 . 151.5(3) no
Rh1 . Ga1 . H2 . 36.3(2) no
N1 . Ga1 . H2 . 153.2(3) no
N2 . Ga1 . H2 . 99.4(3) no
H1 . Ga1 . H2 . 72.372(10) no
Ga1 . N1 . C2 . 124.0(3) yes
Ga1 . N1 . C11 . 119.0(3) yes
C2 . N1 . C11 . 116.8(4) yes
Ga1 . N2 . C4 . 123.7(3) yes
Ga1 . N2 . C21 . 118.1(3) yes
C4 . N2 . C21 . 118.1(4) yes
N1 . C2 . C3 . 123.3(4) yes
N1 . C2 . C312 . 119.1(4) yes
C3 . C2 . C312 . 117.5(4) yes
C2 . C3 . C4 . 129.1(4) yes
C2 . C3 . H31 . 115.5 no
C4 . C3 . H31 . 115.4 no
C3 . C4 . N2 . 123.7(4) yes
C3 . C4 . C5 . 117.9(4) yes
N2 . C4 . C5 . 118.4(4) yes
C4 . C5 . H53 . 109.5 no
C4 . C5 . H52 . 109.7 no
H53 . C5 . H52 . 109.5 no
C4 . C5 . H51 . 109.2 no
H53 . C5 . H51 . 109.5 no
H52 . C5 . H51 . 109.5 no
N1 . C11 . C12 . 119.8(5) yes
N1 . C11 . C16 . 118.2(5) yes
C12 . C11 . C16 . 122.0(5) yes
C11 . C12 . C13 . 117.4(6) yes
C11 . C12 . C17 . 122.5(5) yes
C13 . C12 . C17 . 120.0(6) yes
C12 . C13 . C14 . 121.2(6) yes
C12 . C13 . H131 . 119.4 no
C14 . C13 . H131 . 119.4 no
C13 . C14 . C15 . 120.0(5) yes
C13 . C14 . H141 . 119.8 no
C15 . C14 . H141 . 120.2 no
C14 . C15 . C16 . 121.7(6) yes
C14 . C15 . H151 . 119.0 no
C16 . C15 . H151 . 119.3 no
C11 . C16 . C15 . 117.7(6) yes
C11 . C16 . C18 . 122.7(5) yes
C15 . C16 . C18 . 119.5(6) yes
C12 . C17 . C31 . 110.9(6) yes
C12 . C17 . C32 . 111.1(7) yes
C31 . C17 . C32 . 109.2(7) yes
C12 . C17 . H171 . 108.7 no
C31 . C17 . H171 . 109.2 no
C32 . C17 . H171 . 107.7 no
C16 . C18 . C33 . 111.9(5) yes
C16 . C18 . C34 . 111.7(6) yes
C33 . C18 . C34 . 110.3(5) yes
C16 . C18 . H181 . 107.3 no
C33 . C18 . H181 . 107.3 no
C34 . C18 . H181 . 108.0 no
N2 . C21 . C22 . 119.6(5) yes
N2 . C21 . C26 . 118.6(4) yes
C22 . C21 . C26 . 121.7(5) yes
C21 . C22 . C23 . 118.4(6) yes
C21 . C22 . C27 . 121.6(5) yes
C23 . C22 . C27 . 119.9(5) yes
C22 . C23 . C24 . 120.9(6) yes
C22 . C23 . H231 . 119.7 no
C24 . C23 . H231 . 119.5 no
C23 . C24 . C25 . 120.5(5) yes
C23 . C24 . H241 . 119.5 no
C25 . C24 . H241 . 119.9 no
C24 . C25 . C26 . 120.7(6) yes
C24 . C25 . H251 . 120.1 no
C26 . C25 . H251 . 119.2 no
C25 . C26 . C21 . 117.6(5) yes
C25 . C26 . C28 . 119.8(5) yes
C21 . C26 . C28 . 122.6(4) yes
C22 . C27 . C35 . 111.1(6) yes
C22 . C27 . C36 . 113.4(6) yes
C35 . C27 . C36 . 110.2(6) yes
C22 . C27 . H271 . 108.4 no
C35 . C27 . H271 . 106.3 no
C36 . C27 . H271 . 107.1 no
C26 . C28 . C37 . 111.9(5) yes
C26 . C28 . C38 . 112.3(5) yes
C37 . C28 . C38 . 109.8(5) yes
C26 . C28 . H281 . 107.7 no
C37 . C28 . H281 . 107.5 no
C38 . C28 . H281 . 107.3 no
C17 . C31 . H312 . 109.6 no
C17 . C31 . H311 . 109.7 no
H312 . C31 . H311 . 109.5 no
C17 . C31 . H313 . 109.1 no
H312 . C31 . H313 . 109.5 no
H311 . C31 . H313 . 109.5 no
C17 . C32 . H322 . 110.4 no
C17 . C32 . H321 . 109.8 no
H322 . C32 . H321 . 109.5 no
C17 . C32 . H323 . 108.2 no
H322 . C32 . H323 . 109.5 no
H321 . C32 . H323 . 109.5 no
C18 . C33 . H332 . 109.2 no
C18 . C33 . H331 . 110.4 no
H332 . C33 . H331 . 109.5 no
C18 . C33 . H333 . 108.8 no
H332 . C33 . H333 . 109.5 no
H331 . C33 . H333 . 109.5 no
C18 . C34 . H341 . 109.5 no
C18 . C34 . H343 . 109.4 no
H341 . C34 . H343 . 109.5 no
C18 . C34 . H342 . 109.5 no
H341 . C34 . H342 . 109.5 no
H343 . C34 . H342 . 109.5 no
C27 . C35 . H353 . 110.0 no
C27 . C35 . H352 . 107.6 no
H353 . C35 . H352 . 109.5 no
C27 . C35 . H351 . 110.8 no
H353 . C35 . H351 . 109.5 no
H352 . C35 . H351 . 109.5 no
C27 . C36 . H363 . 109.0 no
C27 . C36 . H362 . 111.1 no
H363 . C36 . H362 . 109.5 no
C27 . C36 . H361 . 108.3 no
H363 . C36 . H361 . 109.5 no
H362 . C36 . H361 . 109.5 no
C28 . C37 . H373 . 109.8 no
C28 . C37 . H372 . 109.2 no
H373 . C37 . H372 . 109.5 no
C28 . C37 . H371 . 109.3 no
H373 . C37 . H371 . 109.5 no
H372 . C37 . H371 . 109.5 no
C28 . C38 . H383 . 110.1 no
C28 . C38 . H382 . 109.3 no
H383 . C38 . H382 . 109.5 no
C28 . C38 . H381 . 109.0 no
H383 . C38 . H381 . 109.5 no
H382 . C38 . H381 . 109.5 no
Rh1 . P1 . C51 . 119.29(16) yes
Rh1 . P1 . C61 . 112.57(15) yes
C51 . P1 . C61 . 102.8(2) yes
Rh1 . P1 . C71 . 116.93(15) yes
C51 . P1 . C71 . 99.2(2) yes
C61 . P1 . C71 . 103.8(2) yes
Rh1 . P2 . C53 . 116.27(17) yes
Rh1 . P2 . C81 . 115.20(16) yes
C53 . P2 . C81 . 103.3(2) yes
Rh1 . P2 . C91 . 111.93(18) yes
C53 . P2 . C91 . 105.8(3) yes
C81 . P2 . C91 . 103.0(2) yes
P1 . C51 . C52 . 116.1(3) yes
P1 . C51 . H512 . 107.6 no
C52 . C51 . H512 . 107.0 no
P1 . C51 . H511 . 108.4 no
C52 . C51 . H511 . 108.0 no
H512 . C51 . H511 . 109.5 no
C51 . C52 . C53 . 111.8(5) yes
C51 . C52 . H521 . 108.0 no
C53 . C52 . H521 . 108.2 no
C51 . C52 . H522 . 110.1 no
C53 . C52 . H522 . 109.2 no
H521 . C52 . H522 . 109.5 no
C52 . C53 . P2 . 114.9(4) yes
C52 . C53 . H532 . 108.7 no
P2 . C53 . H532 . 109.0 no
C52 . C53 . H531 . 107.2 no
P2 . C53 . H531 . 107.5 no
H532 . C53 . H531 . 109.5 no
P1 . C61 . C62 . 110.7(4) yes
P1 . C61 . C66 . 115.5(4) yes
C62 . C61 . C66 . 111.1(5) yes
P1 . C61 . H611 . 106.8 no
C62 . C61 . H611 . 105.9 no
C66 . C61 . H611 . 106.1 no
C61 . C62 . C63 . 110.8(6) yes
C61 . C62 . H622 . 109.2 no
C63 . C62 . H622 . 109.2 no
C61 . C62 . H621 . 108.5 no
C63 . C62 . H621 . 109.6 no
H622 . C62 . H621 . 109.5 no
C62 . C63 . C64 . 111.8(6) yes
C62 . C63 . H631 . 108.9 no
C64 . C63 . H631 . 108.9 no
C62 . C63 . H632 . 109.3 no
C64 . C63 . H632 . 108.4 no
H631 . C63 . H632 . 109.5 no
C63 . C64 . C65 . 111.2(5) yes
C63 . C64 . H642 . 109.7 no
C65 . C64 . H642 . 108.5 no
C63 . C64 . H641 . 109.1 no
C65 . C64 . H641 . 108.9 no
H642 . C64 . H641 . 109.5 no
C64 . C65 . C66 . 111.5(6) yes
C64 . C65 . H652 . 108.6 no
C66 . C65 . H652 . 108.8 no
C64 . C65 . H651 . 109.6 no
C66 . C65 . H651 . 108.9 no
H652 . C65 . H651 . 109.5 no
C61 . C66 . C65 . 110.2(5) yes
C61 . C66 . H661 . 109.2 no
C65 . C66 . H661 . 109.5 no
C61 . C66 . H662 . 108.8 no
C65 . C66 . H662 . 109.7 no
H661 . C66 . H662 . 109.5 no
P1 . C71 . C72 . 115.1(3) yes
P1 . C71 . C76 . 111.8(4) yes
C72 . C71 . C76 . 110.2(5) yes
P1 . C71 . H711 . 106.6 no
C72 . C71 . H711 . 106.2 no
C76 . C71 . H711 . 106.3 no
C71 . C72 . C73 . 109.5(5) yes
C71 . C72 . H721 . 109.4 no
C73 . C72 . H721 . 109.5 no
C71 . C72 . H722 . 109.3 no
C73 . C72 . H722 . 109.6 no
H721 . C72 . H722 . 109.5 no
C72 . C73 . C74 . 112.2(5) yes
C72 . C73 . H732 . 109.2 no
C74 . C73 . H732 . 109.0 no
C72 . C73 . H731 . 108.4 no
C74 . C73 . H731 . 108.5 no
H732 . C73 . H731 . 109.5 no
C73 . C74 . C75 . 112.4(5) yes
C73 . C74 . H742 . 108.6 no
C75 . C74 . H742 . 108.5 no
C73 . C74 . H741 . 108.8 no
C75 . C74 . H741 . 109.0 no
H742 . C74 . H741 . 109.5 no
C74 . C75 . C76 . 111.0(5) yes
C74 . C75 . H751 . 109.4 no
C76 . C75 . H751 . 109.2 no
C74 . C75 . H752 . 108.9 no
C76 . C75 . H752 . 108.9 no
H751 . C75 . H752 . 109.5 no
C71 . C76 . C75 . 109.8(5) yes
C71 . C76 . H762 . 109.3 no
C75 . C76 . H762 . 109.3 no
C71 . C76 . H761 . 109.0 no
C75 . C76 . H761 . 109.9 no
H762 . C76 . H761 . 109.5 no
P2 . C81 . C82 . 115.0(4) yes
P2 . C81 . C86 . 111.3(3) yes
C82 . C81 . C86 . 109.8(4) yes
P2 . C81 . H811 . 107.0 no
C82 . C81 . H811 . 106.6 no
C86 . C81 . H811 . 106.8 no
C81 . C82 . C83 . 112.3(5) yes
C81 . C82 . H822 . 108.7 no
C83 . C82 . H822 . 108.6 no
C81 . C82 . H821 . 108.7 no
C83 . C82 . H821 . 109.1 no
H822 . C82 . H821 . 109.5 no
C82 . C83 . C84 . 111.5(5) yes
C82 . C83 . H831 . 109.0 no
C84 . C83 . H831 . 108.6 no
C82 . C83 . H832 . 109.2 no
C84 . C83 . H832 . 109.0 no
H831 . C83 . H832 . 109.5 no
C83 . C84 . C85 . 110.3(5) yes
C83 . C84 . H841 . 109.4 no
C85 . C84 . H841 . 109.9 no
C83 . C84 . H842 . 109.0 no
C85 . C84 . H842 . 108.6 no
H841 . C84 . H842 . 109.5 no
C84 . C85 . C86 . 112.1(5) yes
C84 . C85 . H851 . 108.2 no
C86 . C85 . H851 . 108.8 no
C84 . C85 . H852 . 109.0 no
C86 . C85 . H852 . 109.3 no
H851 . C85 . H852 . 109.5 no
C81 . C86 . C85 . 112.5(5) yes
C81 . C86 . H861 . 108.4 no
C85 . C86 . H861 . 108.6 no
C81 . C86 . H862 . 108.8 no
C85 . C86 . H862 . 109.0 no
H861 . C86 . H862 . 109.5 no
P2 . C91 . C92 . 113.2(4) yes
P2 . C91 . C96 . 115.8(4) yes
C92 . C91 . C96 . 109.2(5) yes
P2 . C91 . H911 . 106.2 no
C92 . C91 . H911 . 105.5 no
C96 . C91 . H911 . 106.2 no
C91 . C92 . C93 . 109.3(5) yes
C91 . C92 . H921 . 109.6 no
C93 . C92 . H921 . 109.8 no
C91 . C92 . H922 . 109.3 no
C93 . C92 . H922 . 109.4 no
H921 . C92 . H922 . 109.5 no
C92 . C93 . C94 . 111.0(6) yes
C92 . C93 . H932 . 108.6 no
C94 . C93 . H932 . 108.2 no
C92 . C93 . H931 . 109.6 no
C94 . C93 . H931 . 110.0 no
H932 . C93 . H931 . 109.5 no
C93 . C94 . C95 . 110.4(6) yes
C93 . C94 . H942 . 109.6 no
C95 . C94 . H942 . 110.0 no
C93 . C94 . H941 . 108.7 no
C95 . C94 . H941 . 108.6 no
H942 . C94 . H941 . 109.5 no
C94 . C95 . C96 . 111.7(6) yes
C94 . C95 . H951 . 108.1 no
C96 . C95 . H951 . 108.7 no
C94 . C95 . H952 . 109.7 no
C96 . C95 . H952 . 109.1 no
H951 . C95 . H952 . 109.5 no
C91 . C96 . C95 . 111.1(6) yes
C91 . C96 . H962 . 108.8 no
C95 . C96 . H962 . 109.5 no
C91 . C96 . H961 . 109.1 no
C95 . C96 . H961 . 108.8 no
H962 . C96 . H961 . 109.5 no
C2 . C312 . H3123 . 109.6 no
C2 . C312 . H3122 . 109.3 no
H3123 . C312 . H3122 . 109.5 no
C2 . C312 . H3121 . 109.4 no
H3123 . C312 . H3121 . 109.5 no
H3122 . C312 . H3121 . 109.5 no
C217 . C231 . H2313 . 109.6 no
C217 . C231 . H2312 . 108.5 no
H2313 . C231 . H2312 . 109.5 no
C217 . C231 . H2311 . 110.2 no
H2313 . C231 . H2311 . 109.5 no
H2312 . C231 . H2311 . 109.5 no
Ga2 . Rh2 . P201 . 133.87(4) yes
Ga2 . Rh2 . P202 . 130.87(4) yes
P201 . Rh2 . P202 . 94.47(4) yes
Ga2 . Rh2 . H21 . 47.8(3) no
P201 . Rh2 . H21 . 178.3(3) no
P202 . Rh2 . H21 . 83.8(3) no
Ga2 . Rh2 . H22 . 47.8(3) no
P201 . Rh2 . H22 . 86.9(3) no
P202 . Rh2 . H22 . 178.7(3) no
H21 . Rh2 . H22 . 94.836(10) no
Rh2 . Ga2 . N201 . 132.77(12) yes
Rh2 . Ga2 . N202 . 131.61(12) yes
N201 . Ga2 . N202 . 95.62(17) yes
Rh2 . Ga2 . H21 . 36.5(2) no
N201 . Ga2 . H21 . 151.5(3) no
N202 . Ga2 . H21 . 100.9(3) no
Rh2 . Ga2 . H22 . 36.4(2) no
N201 . Ga2 . H22 . 99.3(3) no
N202 . Ga2 . H22 . 158.6(3) no
H21 . Ga2 . H22 . 72.372(10) no
Ga2 . N201 . C202 . 124.9(3) yes
Ga2 . N201 . C211 . 118.8(3) yes
C202 . N201 . C211 . 116.2(4) yes
Ga2 . N202 . C204 . 124.0(3) yes
Ga2 . N202 . C221 . 117.8(3) yes
C204 . N202 . C221 . 117.6(4) yes
C202 . C201 . H2011 . 109.4 no
C202 . C201 . H2013 . 109.6 no
H2011 . C201 . H2013 . 109.5 no
C202 . C201 . H2012 . 109.4 no
H2011 . C201 . H2012 . 109.5 no
H2013 . C201 . H2012 . 109.5 no
C201 . C202 . N201 . 119.7(5) yes
C201 . C202 . C203 . 117.2(4) yes
N201 . C202 . C203 . 123.1(5) yes
C202 . C203 . C204 . 128.1(4) yes
C202 . C203 . H2031 . 115.7 no
C204 . C203 . H2031 . 116.1 no
C203 . C204 . N202 . 123.8(4) yes
C203 . C204 . C205 . 117.4(4) yes
N202 . C204 . C205 . 118.8(5) yes
C204 . C205 . H2052 . 109.3 no
C204 . C205 . H2051 . 110.0 no
H2052 . C205 . H2051 . 109.5 no
C204 . C205 . H2053 . 109.1 no
H2052 . C205 . H2053 . 109.5 no
H2051 . C205 . H2053 . 109.5 no
N201 . C211 . C212 . 120.3(5) yes
N201 . C211 . C216 . 117.4(5) yes
C212 . C211 . C216 . 122.2(5) yes
C211 . C212 . C213 . 118.2(6) yes
C211 . C212 . C217 . 122.2(5) yes
C213 . C212 . C217 . 119.6(5) yes
C212 . C213 . C214 . 121.0(6) yes
C212 . C213 . H2131 . 118.8 no
C214 . C213 . H2131 . 120.2 no
C213 . C214 . C215 . 120.9(6) yes
C213 . C214 . H2141 . 119.4 no
C215 . C214 . H2141 . 119.7 no
C214 . C215 . C216 . 120.7(6) yes
C214 . C215 . H2151 . 120.0 no
C216 . C215 . H2151 . 119.3 no
C211 . C216 . C215 . 116.8(5) yes
C211 . C216 . C218 . 122.9(5) yes
C215 . C216 . C218 . 120.2(5) yes
C212 . C217 . C231 . 111.8(6) yes
C212 . C217 . C232 . 110.9(7) yes
C231 . C217 . C232 . 109.3(8) yes
C212 . C217 . H2171 . 109.2 no
C231 . C217 . H2171 . 108.2 no
C232 . C217 . H2171 . 107.4 no
C216 . C218 . C233 . 110.8(5) yes
C216 . C218 . C234 . 113.0(6) yes
C233 . C218 . C234 . 110.2(6) yes
C216 . C218 . H2181 . 107.6 no
C233 . C218 . H2181 . 107.7 no
C234 . C218 . H2181 . 107.3 no
N202 . C221 . C222 . 120.2(5) yes
N202 . C221 . C226 . 117.6(5) yes
C222 . C221 . C226 . 122.1(5) yes
C221 . C222 . C223 . 117.4(6) yes
C221 . C222 . C227 . 120.7(5) yes
C223 . C222 . C227 . 121.9(6) yes
C222 . C223 . C224 . 121.7(6) yes
C222 . C223 . H2231 . 119.4 no
C224 . C223 . H2231 . 118.9 no
C223 . C224 . C225 . 120.0(6) yes
C223 . C224 . H2241 . 120.2 no
C225 . C224 . H2241 . 119.8 no
C224 . C225 . C226 . 121.1(6) yes
C224 . C225 . H2251 . 119.3 no
C226 . C225 . H2251 . 119.5 no
C221 . C226 . C225 . 117.4(6) yes
C221 . C226 . C228 . 123.5(5) yes
C225 . C226 . C228 . 119.0(6) yes
C222 . C227 . C235 . 113.1(6) yes
C222 . C227 . C236 . 112.8(5) yes
C235 . C227 . C236 . 109.4(6) yes
C222 . C227 . H2271 . 107.3 no
C235 . C227 . H2271 . 107.4 no
C236 . C227 . H2271 . 106.5 no
C226 . C228 . C237 . 112.4(8) yes
C226 . C228 . C238 . 111.1(6) yes
C237 . C228 . C238 . 110.7(7) yes
C226 . C228 . H2281 . 106.0 no
C237 . C228 . H2281 . 110.2 no
C238 . C228 . H2281 . 106.0 no
C217 . C232 . H2322 . 110.3 no
C217 . C232 . H2321 . 107.7 no
H2322 . C232 . H2321 . 109.5 no
C217 . C232 . H2323 . 110.4 no
H2322 . C232 . H2323 . 109.5 no
H2321 . C232 . H2323 . 109.5 no
C218 . C233 . H2332 . 109.4 no
C218 . C233 . H2331 . 110.0 no
H2332 . C233 . H2331 . 109.5 no
C218 . C233 . H2333 . 109.0 no
H2332 . C233 . H2333 . 109.5 no
H2331 . C233 . H2333 . 109.5 no
C218 . C234 . H2342 . 109.2 no
C218 . C234 . H2341 . 109.5 no
H2342 . C234 . H2341 . 109.5 no
C218 . C234 . H2343 . 109.7 no
H2342 . C234 . H2343 . 109.5 no
H2341 . C234 . H2343 . 109.5 no
C227 . C235 . H2353 . 110.1 no
C227 . C235 . H2352 . 109.6 no
H2353 . C235 . H2352 . 109.5 no
C227 . C235 . H2351 . 108.7 no
H2353 . C235 . H2351 . 109.5 no
H2352 . C235 . H2351 . 109.5 no
C227 . C236 . H2363 . 109.9 no
C227 . C236 . H2362 . 108.7 no
H2363 . C236 . H2362 . 109.5 no
C227 . C236 . H2361 . 109.7 no
H2363 . C236 . H2361 . 109.5 no
H2362 . C236 . H2361 . 109.5 no
C228 . C237 . H2371 . 105.8 no
C228 . C237 . H2373 . 109.6 no
H2371 . C237 . H2373 . 109.5 no
C228 . C237 . H2372 . 113.0 no
H2371 . C237 . H2372 . 109.5 no
H2373 . C237 . H2372 . 109.5 no
C228 . C238 . H2381 . 109.2 no
C228 . C238 . H2383 . 108.7 no
H2381 . C238 . H2383 . 109.5 no
C228 . C238 . H2382 . 110.5 no
H2381 . C238 . H2382 . 109.5 no
H2383 . C238 . H2382 . 109.5 no
Rh2 . P201 . C251 . 118.31(17) yes
Rh2 . P201 . C261 . 117.64(15) yes
C251 . P201 . C261 . 100.6(2) yes
Rh2 . P201 . C271 . 111.63(16) yes
C251 . P201 . C271 . 102.7(3) yes
C261 . P201 . C271 . 104.0(2) yes
Rh2 . P202 . C253 . 120.32(17) yes
Rh2 . P202 . C281 . 111.54(18) yes
C253 . P202 . C281 . 102.9(3) yes
Rh2 . P202 . C291 . 111.47(17) yes
C253 . P202 . C291 . 101.7(2) yes
C281 . P202 . C291 . 107.8(2) yes
P201 . C251 . C252 . 117.5(4) yes
P201 . C251 . H2511 . 107.7 no
C252 . C251 . H2511 . 108.0 no
P201 . C251 . H2512 . 107.1 no
C252 . C251 . H2512 . 106.8 no
H2511 . C251 . H2512 . 109.5 no
C251 . C252 . C253 . 113.0(5) yes
C251 . C252 . H2521 . 109.1 no
C253 . C252 . H2521 . 109.1 no
C251 . C252 . H2522 . 108.0 no
C253 . C252 . H2522 . 108.2 no
H2521 . C252 . H2522 . 109.5 no
C252 . C253 . P202 . 115.4(4) yes
C252 . C253 . H2532 . 108.4 no
P202 . C253 . H2532 . 107.8 no
C252 . C253 . H2531 . 107.5 no
P202 . C253 . H2531 . 108.1 no
H2532 . C253 . H2531 . 109.5 no
P201 . C261 . C262 . 111.7(3) yes
P201 . C261 . C266 . 115.0(3) yes
C262 . C261 . C266 . 109.8(4) yes
P201 . C261 . H2611 . 106.4 no
C262 . C261 . H2611 . 107.0 no
C266 . C261 . H2611 . 106.5 no
C261 . C262 . C263 . 110.9(4) yes
C261 . C262 . H2622 . 109.0 no
C263 . C262 . H2622 . 108.9 no
C261 . C262 . H2621 . 109.6 no
C263 . C262 . H2621 . 109.0 no
H2622 . C262 . H2621 . 109.5 no
C262 . C263 . C264 . 112.2(5) yes
C262 . C263 . H2631 . 108.6 no
C264 . C263 . H2631 . 108.1 no
C262 . C263 . H2632 . 109.1 no
C264 . C263 . H2632 . 109.4 no
H2631 . C263 . H2632 . 109.5 no
C263 . C264 . C265 . 111.0(5) yes
C263 . C264 . H2641 . 109.2 no
C265 . C264 . H2641 . 109.3 no
C263 . C264 . H2642 . 108.6 no
C265 . C264 . H2642 . 109.3 no
H2641 . C264 . H2642 . 109.5 no
C264 . C265 . C266 . 111.7(5) yes
C264 . C265 . H2652 . 109.0 no
C266 . C265 . H2652 . 108.8 no
C264 . C265 . H2651 . 108.8 no
C266 . C265 . H2651 . 109.0 no
H2652 . C265 . H2651 . 109.5 no
C265 . C266 . C261 . 110.4(4) yes
C265 . C266 . H2661 . 109.2 no
C261 . C266 . H2661 . 109.4 no
C265 . C266 . H2662 . 109.1 no
C261 . C266 . H2662 . 109.2 no
H2661 . C266 . H2662 . 109.5 no
P201 . C271 . C272 . 111.1(4) yes
P201 . C271 . C276 . 116.5(4) yes
C272 . C271 . C276 . 110.5(5) yes
P201 . C271 . H2711 . 105.9 no
C272 . C271 . H2711 . 106.0 no
C276 . C271 . H2711 . 106.1 no
C271 . C272 . C273 . 111.0(5) yes
C271 . C272 . H2721 . 108.8 no
C273 . C272 . H2721 . 109.1 no
C271 . C272 . H2722 . 109.3 no
C273 . C272 . H2722 . 109.2 no
H2721 . C272 . H2722 . 109.5 no
C272 . C273 . C274 . 110.3(7) yes
C272 . C273 . H2732 . 109.7 no
C274 . C273 . H2732 . 107.9 no
C272 . C273 . H2731 . 109.6 no
C274 . C273 . H2731 . 109.9 no
H2732 . C273 . H2731 . 109.5 no
C273 . C274 . C275 . 111.5(6) yes
C273 . C274 . H2741 . 110.6 no
C275 . C274 . H2741 . 111.4 no
C273 . C274 . H2742 . 107.3 no
C275 . C274 . H2742 . 106.4 no
H2741 . C274 . H2742 . 109.5 no
C274 . C275 . C276 . 111.1(6) yes
C274 . C275 . H2751 . 110.3 no
C276 . C275 . H2751 . 109.6 no
C274 . C275 . H2752 . 107.2 no
C276 . C275 . H2752 . 109.1 no
H2751 . C275 . H2752 . 109.5 no
C271 . C276 . C275 . 111.7(6) yes
C271 . C276 . H2762 . 109.3 no
C275 . C276 . H2762 . 109.8 no
C271 . C276 . H2761 . 108.5 no
C275 . C276 . H2761 . 108.0 no
H2762 . C276 . H2761 . 109.5 no
P202 . C281 . C282 . 119.6(5) yes
P202 . C281 . C286 . 106.7(4) yes
C282 . C281 . C286 . 110.0(6) yes
P202 . C281 . H2811 . 106.5 no
C282 . C281 . H2811 . 106.4 no
C286 . C281 . H2811 . 106.9 no
P202 . C281 . C382 . 115.4(9) yes
P202 . C281 . C386 . 116.1(9) yes
C382 . C281 . C386 . 115.5(13) yes
P202 . C281 . H2812 . 104.2 no
C382 . C281 . H2812 . 102.7 no
C386 . C281 . H2812 . 99.6 no
C281 . C282 . C283 . 110.7(7) yes
C281 . C282 . H2821 . 109.4 no
C283 . C282 . H2821 . 108.9 no
C281 . C282 . H2822 . 108.7 no
C283 . C282 . H2822 . 109.7 no
H2821 . C282 . H2822 . 109.5 no
C282 . C283 . C284 . 109.9(8) yes
C282 . C283 . H2832 . 109.8 no
C284 . C283 . H2832 . 110.5 no
C282 . C283 . H2831 . 109.1 no
C284 . C283 . H2831 . 108.0 no
H2832 . C283 . H2831 . 109.5 no
C283 . C284 . C285 . 110.2(8) yes
C283 . C284 . H2841 . 108.1 no
C285 . C284 . H2841 . 108.8 no
C283 . C284 . H2842 . 110.5 no
C285 . C284 . H2842 . 109.8 no
H2841 . C284 . H2842 . 109.5 no
C284 . C285 . C286 . 110.7(8) yes
C284 . C285 . H2852 . 109.9 no
C286 . C285 . H2852 . 109.5 no
C284 . C285 . H2851 . 108.1 no
C286 . C285 . H2851 . 109.1 no
H2852 . C285 . H2851 . 109.5 no
C285 . C286 . C281 . 111.0(7) yes
C285 . C286 . H2861 . 109.3 no
C281 . C286 . H2861 . 109.8 no
C285 . C286 . H2862 . 108.8 no
C281 . C286 . H2862 . 108.4 no
H2861 . C286 . H2862 . 109.5 no
P202 . C291 . C292 . 109.0(4) yes
P202 . C291 . C296 . 115.6(4) yes
C292 . C291 . C296 . 110.2(4) yes
P202 . C291 . H2911 . 107.2 no
C292 . C291 . H2911 . 107.2 no
C296 . C291 . H2911 . 107.3 no
C291 . C292 . C293 . 112.7(5) yes
C291 . C292 . H2921 . 108.7 no
C293 . C292 . H2921 . 109.1 no
C291 . C292 . H2922 . 108.3 no
C293 . C292 . H2922 . 108.5 no
H2921 . C292 . H2922 . 109.5 no
C292 . C293 . C294 . 111.0(5) yes
C292 . C293 . H2932 . 109.0 no
C294 . C293 . H2932 . 109.4 no
C292 . C293 . H2931 . 109.4 no
C294 . C293 . H2931 . 108.6 no
H2932 . C293 . H2931 . 109.5 no
C293 . C294 . C295 . 110.2(5) yes
C293 . C294 . H2941 . 109.0 no
C295 . C294 . H2941 . 108.6 no
C293 . C294 . H2942 . 109.6 no
C295 . C294 . H2942 . 109.9 no
H2941 . C294 . H2942 . 109.5 no
C294 . C295 . C296 . 111.7(5) yes
C294 . C295 . H2951 . 109.7 no
C296 . C295 . H2951 . 109.0 no
C294 . C295 . H2952 . 108.2 no
C296 . C295 . H2952 . 108.8 no
H2951 . C295 . H2952 . 109.5 no
C291 . C296 . C295 . 112.4(5) yes
C291 . C296 . H2962 . 108.7 no
C295 . C296 . H2962 . 108.4 no
C291 . C296 . H2961 . 108.6 no
C295 . C296 . H2961 . 109.2 no
H2962 . C296 . H2961 . 109.5 no
C281 . C382 . C383 . 114.5(18) yes
C281 . C382 . H3822 . 108.0 no
C383 . C382 . H3822 . 109.2 no
C281 . C382 . H3821 . 106.9 no
C383 . C382 . H3821 . 108.6 no
H3822 . C382 . H3821 . 109.5 no
C382 . C383 . C384 . 110.8(19) yes
C382 . C383 . H3831 . 110.0 no
C384 . C383 . H3831 . 109.2 no
C382 . C383 . H3832 . 108.2 no
C384 . C383 . H3832 . 109.3 no
H3831 . C383 . H3832 . 109.5 no
C383 . C384 . C385 . 112.9(19) yes
C383 . C384 . H3842 . 109.5 no
C385 . C384 . H3842 . 110.1 no
C383 . C384 . H3841 . 108.0 no
C385 . C384 . H3841 . 106.8 no
H3842 . C384 . H3841 . 109.5 no
C384 . C385 . C386 . 112(2) yes
C384 . C385 . H3851 . 110.2 no
C386 . C385 . H3851 . 109.7 no
C384 . C385 . H3852 . 108.5 no
C386 . C385 . H3852 . 106.6 no
H3851 . C385 . H3852 . 109.5 no
C385 . C386 . C281 . 114.0(18) yes
C385 . C386 . H3861 . 112.5 no
C281 . C386 . H3861 . 110.8 no
C385 . C386 . H3862 . 105.0 no
C281 . C386 . H3862 . 104.4 no
H3861 . C386 . H3862 . 109.5 no
O1 . Al1 . O2 . 109.53(19) yes
O1 . Al1 . O3 . 110.2(2) yes
O2 . Al1 . O3 . 109.5(2) yes
O1 . Al1 . O4 . 108.5(2) yes
O2 . Al1 . O4 . 110.9(2) yes
O3 . Al1 . O4 . 108.2(3) yes
Al1 . O1 . C111 . 158.9(2) yes
Al1 . O2 . C121 . 158.4(2) yes
Al1 . O3 . C131 . 159.5(2) yes
Al1 . O4 . C141 . 166.6(3) yes
O1 . C111 . C112 . 109.10(5) yes
O1 . C111 . C113 . 109.16(5) yes
C112 . C111 . C113 . 109.80(5) yes
O1 . C111 . C114 . 109.12(5) yes
C112 . C111 . C114 . 109.86(5) yes
C113 . C111 . C114 . 109.78(5) yes
C111 . C112 . F11 . 108.46(5) yes
C111 . C112 . F12 . 108.48(5) yes
F11 . C112 . F12 . 110.46(5) yes
C111 . C112 . F13 . 108.43(5) yes
F11 . C112 . F13 . 110.47(5) yes
F12 . C112 . F13 . 110.47(5) yes
C111 . C113 . F14 . 108.49(5) yes
C111 . C113 . F15 . 108.43(5) yes
F14 . C113 . F15 . 110.48(5) yes
C111 . C113 . F16 . 108.47(5) yes
F14 . C113 . F16 . 110.43(5) yes
F15 . C113 . F16 . 110.47(5) yes
C111 . C114 . F17 . 108.47(5) yes
C111 . C114 . F18 . 108.47(5) yes
F17 . C114 . F18 . 110.47(5) yes
C111 . C114 . F19 . 108.45(5) yes
F17 . C114 . F19 . 110.46(5) yes
F18 . C114 . F19 . 110.45(5) yes
O2 . C121 . C122 . 109.24(5) yes
O2 . C121 . C123 . 109.15(5) yes
C122 . C121 . C123 . 109.93(5) yes
O2 . C121 . C124 . 108.87(5) yes
C122 . C121 . C124 . 109.86(5) yes
C123 . C121 . C124 . 109.76(5) yes
O2 . C121 . C125 . 109.11(5) yes
O2 . C121 . C126 . 108.99(5) yes
C125 . C121 . C126 . 109.73(5) yes
O2 . C121 . C127 . 109.33(5) yes
C125 . C121 . C127 . 109.82(5) yes
C126 . C121 . C127 . 109.84(5) yes
C121 . C122 . F21 . 108.46(5) yes
C121 . C122 . F22 . 108.46(5) yes
F21 . C122 . F22 . 110.44(5) yes
C121 . C122 . F23 . 108.45(5) yes
F21 . C122 . F23 . 110.47(5) yes
F22 . C122 . F23 . 110.49(5) yes
C121 . C123 . F24 . 108.48(5) yes
C121 . C123 . F25 . 108.41(5) yes
F24 . C123 . F25 . 110.48(5) yes
C121 . C123 . F26 . 108.47(5) yes
F24 . C123 . F26 . 110.48(5) yes
F25 . C123 . F26 . 110.45(5) yes
C121 . C124 . F27 . 108.44(5) yes
C121 . C124 . F28 . 108.39(5) yes
F27 . C124 . F28 . 110.46(5) yes
C121 . C124 . F29 . 108.49(5) yes
F27 . C124 . F29 . 110.50(5) yes
F28 . C124 . F29 . 110.47(5) yes
C121 . C125 . F121 . 108.46(5) yes
C121 . C125 . F122 . 108.48(5) yes
F121 . C125 . F122 . 110.46(5) yes
C121 . C125 . F123 . 108.46(5) yes
F121 . C125 . F123 . 110.45(5) yes
F122 . C125 . F123 . 110.46(5) yes
C121 . C126 . F124 . 108.42(5) yes
C121 . C126 . F125 . 108.46(5) yes
F124 . C126 . F125 . 110.46(5) yes
C121 . C126 . F126 . 108.47(5) yes
F124 . C126 . F126 . 110.46(5) yes
F125 . C126 . F126 . 110.49(5) yes
C121 . C127 . F127 . 108.46(5) yes
C121 . C127 . F128 . 108.49(5) yes
F127 . C127 . F128 . 110.48(5) yes
C121 . C127 . F129 . 108.43(5) yes
F127 . C127 . F129 . 110.45(5) yes
F128 . C127 . F129 . 110.47(5) yes
O3 . C131 . C132 . 109.08(5) yes
O3 . C131 . C133 . 109.19(5) yes
C132 . C131 . C133 . 109.78(5) yes
O3 . C131 . C134 . 109.12(5) yes
C132 . C131 . C134 . 109.83(5) yes
C133 . C131 . C134 . 109.82(5) yes
O3 . C131 . C135 . 109.10(5) yes
O3 . C131 . C136 . 109.07(5) yes
C135 . C131 . C136 . 109.83(5) yes
O3 . C131 . C137 . 109.15(5) yes
C135 . C131 . C137 . 109.83(5) yes
C136 . C131 . C137 . 109.84(5) yes
C131 . C132 . F31 . 108.44(5) yes
C131 . C132 . F32 . 108.45(5) yes
F31 . C132 . F32 . 110.49(5) yes
C131 . C132 . F33 . 108.45(5) yes
F31 . C132 . F33 . 110.46(5) yes
F32 . C132 . F33 . 110.48(5) yes
C131 . C133 . F34 . 108.44(5) yes
C131 . C133 . F35 . 108.47(5) yes
F34 . C133 . F35 . 110.47(5) yes
C131 . C133 . F36 . 108.44(5) yes
F34 . C133 . F36 . 110.46(5) yes
F35 . C133 . F36 . 110.48(5) yes
C131 . C134 . F37 . 108.46(5) yes
C131 . C134 . F38 . 108.44(5) yes
F37 . C134 . F38 . 110.48(5) yes
C131 . C134 . F39 . 108.45(5) yes
F37 . C134 . F39 . 110.46(5) yes
F38 . C134 . F39 . 110.47(5) yes
C131 . C135 . F131 . 108.46(5) yes
C131 . C135 . F132 . 108.46(5) yes
F131 . C135 . F132 . 110.47(5) yes
C131 . C135 . F133 . 108.45(5) yes
F131 . C135 . F133 . 110.47(5) yes
F132 . C135 . F133 . 110.47(5) yes
C131 . C136 . F134 . 108.46(5) yes
C131 . C136 . F135 . 108.44(5) yes
F134 . C136 . F135 . 110.47(5) yes
C131 . C136 . F136 . 108.47(5) yes
F134 . C136 . F136 . 110.47(5) yes
F135 . C136 . F136 . 110.46(5) yes
C131 . C137 . F137 . 108.45(5) yes
C131 . C137 . F138 . 108.46(5) yes
F137 . C137 . F138 . 110.47(5) yes
C131 . C137 . F139 . 108.46(5) yes
F137 . C137 . F139 . 110.47(5) yes
F138 . C137 . F139 . 110.47(5) yes
O4 . C141 . C142 . 109.09(5) yes
O4 . C141 . C143 . 109.12(5) yes
C142 . C141 . C143 . 109.86(5) yes
O4 . C141 . C144 . 109.10(5) yes
C142 . C141 . C144 . 109.82(5) yes
C143 . C141 . C144 . 109.83(5) yes
O4 . C141 . C145 . 109.12(5) yes
O4 . C141 . C146 . 109.12(5) yes
C145 . C141 . C146 . 109.80(5) yes
O4 . C141 . C147 . 109.15(5) yes
C145 . C141 . C147 . 109.82(5) yes
C146 . C141 . C147 . 109.81(5) yes
C141 . C142 . F41 . 108.45(5) yes
C141 . C142 . F42 . 108.46(5) yes
F41 . C142 . F42 . 110.47(5) yes
C141 . C142 . F43 . 108.43(5) yes
F41 . C142 . F43 . 110.49(5) yes
F42 . C142 . F43 . 110.46(5) yes
C141 . C143 . F44 . 108.46(5) yes
C141 . C143 . F45 . 108.44(5) yes
F44 . C143 . F45 . 110.49(5) yes
C141 . C143 . F46 . 108.45(5) yes
F44 . C143 . F46 . 110.47(5) yes
F45 . C143 . F46 . 110.47(5) yes
C141 . C144 . F47 . 108.44(5) yes
C141 . C144 . F48 . 108.46(5) yes
F47 . C144 . F48 . 110.47(5) yes
C141 . C144 . F49 . 108.45(5) yes
F47 . C144 . F49 . 110.48(5) yes
F48 . C144 . F49 . 110.46(5) yes
C141 . C145 . F141 . 108.45(5) yes
C141 . C145 . F142 . 108.46(5) yes
F141 . C145 . F142 . 110.47(5) yes
C141 . C145 . F143 . 108.46(5) yes
F141 . C145 . F143 . 110.46(5) yes
F142 . C145 . F143 . 110.47(5) yes
C141 . C146 . F144 . 108.45(5) yes
C141 . C146 . F145 . 108.45(5) yes
F144 . C146 . F145 . 110.46(5) yes
C141 . C146 . F146 . 108.45(5) yes
F144 . C146 . F146 . 110.47(5) yes
F145 . C146 . F146 . 110.47(5) yes
C141 . C147 . F147 . 108.45(5) yes
C141 . C147 . F148 . 108.46(5) yes
F147 . C147 . F148 . 110.47(5) yes
C141 . C147 . F149 . 108.46(5) yes
F147 . C147 . F149 . 110.47(5) yes
F148 . C147 . F149 . 110.47(5) yes
O5 . Al2 . O6 . 108.8(5) yes
O5 . Al2 . O7 . 105.7(4) yes
O6 . Al2 . O7 . 113.7(4) yes
O5 . Al2 . O8 . 112.8(3) yes
O6 . Al2 . O8 . 104.9(4) yes
O7 . Al2 . O8 . 111.1(3) yes
O6 . Al2 . O7 . 113.7(4) yes
O6 . Al2 . O8 . 104.9(4) yes
O7 . Al2 . O8 . 111.1(3) yes
O6 . Al2 . O15 . 130.1(6) yes
O7 . Al2 . O15 . 86.8(6) yes
O8 . Al2 . O15 . 108.9(6) yes
O5 . Al2 . O7 . 105.7(4) yes
O5 . Al2 . O8 . 112.8(3) yes
O7 . Al2 . O8 . 111.1(3) yes
O5 . Al2 . O16 . 86.1(5) yes
O7 . Al2 . O16 . 125.1(5) yes
O8 . Al2 . O16 . 112.7(5) yes
O7 . Al2 . O8 . 111.1(3) yes
O7 . Al2 . O15 . 86.8(6) yes
O8 . Al2 . O15 . 108.9(6) yes
O7 . Al2 . O16 . 125.1(5) yes
O8 . Al2 . O16 . 112.7(5) yes
O15 . Al2 . O16 . 108.1(6) yes
O5 . Al2 . O6 . 108.8(5) yes
O5 . Al2 . O8 . 112.8(3) yes
O6 . Al2 . O8 . 104.9(4) yes
O5 . Al2 . O17 . 128.7(6) yes
O6 . Al2 . O17 . 91.5(6) yes
O8 . Al2 . O17 . 106.0(5) yes
O6 . Al2 . O8 . 104.9(4) yes
O6 . Al2 . O15 . 130.1(6) yes
O8 . Al2 . O15 . 108.9(6) yes
O6 . Al2 . O17 . 91.5(6) yes
O8 . Al2 . O17 . 106.0(5) yes
O15 . Al2 . O17 . 112.5(8) yes
O5 . Al2 . O8 . 112.8(3) yes
O5 . Al2 . O16 . 86.1(5) yes
O8 . Al2 . O16 . 112.7(5) yes
O5 . Al2 . O17 . 128.7(6) yes
O8 . Al2 . O17 . 106.0(5) yes
O16 . Al2 . O17 . 108.8(6) yes
O8 . Al2 . O15 . 108.9(6) yes
O8 . Al2 . O16 . 112.7(5) yes
O15 . Al2 . O16 . 108.1(6) yes
O8 . Al2 . O17 . 106.0(5) yes
O15 . Al2 . O17 . 112.5(8) yes
O16 . Al2 . O17 . 108.8(6) yes
O5 . Al2 . O6 . 108.8(5) yes
O5 . Al2 . O7 . 105.7(4) yes
O6 . Al2 . O7 . 113.7(4) yes
O5 . Al2 . O18 . 110.2(13) yes
O6 . Al2 . O18 . 110.7(14) yes
O7 . Al2 . O18 . 107.7(14) yes
O6 . Al2 . O7 . 113.7(4) yes
O6 . Al2 . O15 . 130.1(6) yes
O7 . Al2 . O15 . 86.8(6) yes
O6 . Al2 . O18 . 110.7(14) yes
O7 . Al2 . O18 . 107.7(14) yes
O15 . Al2 . O18 . 104.5(14) yes
O5 . Al2 . O7 . 105.7(4) yes
O5 . Al2 . O16 . 86.1(5) yes
O7 . Al2 . O16 . 125.1(5) yes
O5 . Al2 . O18 . 110.2(13) yes
O7 . Al2 . O18 . 107.7(14) yes
O16 . Al2 . O18 . 118.1(14) yes
O7 . Al2 . O15 . 86.8(6) yes
O7 . Al2 . O16 . 125.1(5) yes
O15 . Al2 . O16 . 108.1(6) yes
O7 . Al2 . O18 . 107.7(14) yes
O15 . Al2 . O18 . 104.5(14) yes
O16 . Al2 . O18 . 118.1(14) yes
O5 . Al2 . O6 . 108.8(5) yes
O5 . Al2 . O17 . 128.7(6) yes
O6 . Al2 . O17 . 91.5(6) yes
O5 . Al2 . O18 . 110.2(13) yes
O6 . Al2 . O18 . 110.7(14) yes
O17 . Al2 . O18 . 105.0(14) yes
O6 . Al2 . O15 . 130.1(6) yes
O6 . Al2 . O17 . 91.5(6) yes
O15 . Al2 . O17 . 112.5(8) yes
O6 . Al2 . O18 . 110.7(14) yes
O15 . Al2 . O18 . 104.5(14) yes
O17 . Al2 . O18 . 105.0(14) yes
O5 . Al2 . O16 . 86.1(5) yes
O5 . Al2 . O17 . 128.7(6) yes
O16 . Al2 . O17 . 108.8(6) yes
O5 . Al2 . O18 . 110.2(13) yes
O16 . Al2 . O18 . 118.1(14) yes
O17 . Al2 . O18 . 105.0(14) yes
O15 . Al2 . O16 . 108.1(6) yes
O15 . Al2 . O17 . 112.5(8) yes
O16 . Al2 . O17 . 108.8(6) yes
O15 . Al2 . O18 . 104.5(14) yes
O16 . Al2 . O18 . 118.1(14) yes
O17 . Al2 . O18 . 105.0(14) yes
Al2 . O5 . C151 . 146.5(7) yes
Al2 . O6 . C161 . 146.3(7) yes
Al2 . O7 . C171 . 143.7(7) yes
Al2 . O8 . C181 . 154.1(2) yes
Al2 . O15 . C151 . 161.4(11) yes
Al2 . O16 . C161 . 145.5(9) yes
Al2 . O17 . C171 . 141.6(9) yes
Al2 . O18 . C185 . 154(2) yes
O5 . C151 . C152 . 96.7(6) yes
O5 . C151 . C153 . 115.0(6) yes
C152 . C151 . C153 . 108.7(5) yes
O5 . C151 . C154 . 116.4(6) yes
C152 . C151 . C154 . 110.8(6) yes
C153 . C151 . C154 . 108.6(6) yes
O15 . C151 . C152 . 125.6(8) yes
O15 . C151 . C153 . 100.9(8) yes
C152 . C151 . C153 . 108.7(5) yes
O15 . C151 . C154 . 101.0(9) yes
C152 . C151 . C154 . 110.8(6) yes
C153 . C151 . C154 . 108.6(6) yes
C151 . C152 . F51 . 110.3(6) yes
C151 . C152 . F52 . 112.9(7) yes
F51 . C152 . F52 . 109.5(7) yes
C151 . C152 . F53 . 112.8(6) yes
F51 . C152 . F53 . 104.3(7) yes
F52 . C152 . F53 . 106.7(7) yes
C151 . C153 . F54 . 109.8(6) yes
C151 . C153 . F55 . 110.0(6) yes
F54 . C153 . F55 . 109.4(6) yes
C151 . C153 . F56 . 113.2(6) yes
F54 . C153 . F56 . 106.2(6) yes
F55 . C153 . F56 . 108.1(7) yes
C151 . C154 . F57 . 109.1(8) yes
C151 . C154 . F58 . 110.5(6) yes
F57 . C154 . F58 . 109.4(7) yes
C151 . C154 . F59 . 112.6(6) yes
F57 . C154 . F59 . 107.2(7) yes
F58 . C154 . F59 . 108.0(8) yes
O6 . C161 . C162 . 113.8(7) yes
O6 . C161 . C163 . 95.9(8) yes
C162 . C161 . C163 . 109.2(7) yes
O6 . C161 . C164 . 116.0(7) yes
C162 . C161 . C164 . 111.7(9) yes
C163 . C161 . C164 . 108.8(6) yes
O16 . C161 . C162 . 105.4(8) yes
O16 . C161 . C163 . 123.8(10) yes
C162 . C161 . C163 . 109.2(7) yes
O16 . C161 . C164 . 97.3(7) yes
C162 . C161 . C164 . 111.7(9) yes
C163 . C161 . C164 . 108.8(6) yes
C161 . C162 . F61 . 112.0(7) yes
C161 . C162 . F62 . 111.7(8) yes
F61 . C162 . F62 . 107.4(8) yes
C161 . C162 . F63 . 108.7(8) yes
F61 . C162 . F63 . 107.3(9) yes
F62 . C162 . F63 . 109.7(9) yes
C161 . C163 . F64 . 112.6(8) yes
C161 . C163 . F65 . 111.0(8) yes
F64 . C163 . F65 . 107.4(8) yes
C161 . C163 . F66 . 113.8(8) yes
F64 . C163 . F66 . 105.0(8) yes
F65 . C163 . F66 . 106.7(9) yes
C161 . C164 . F67 . 112.1(8) yes
C161 . C164 . F68 . 111.0(9) yes
F67 . C164 . F68 . 108.0(8) yes
C161 . C164 . F69 . 110.4(7) yes
F67 . C164 . F69 . 108.1(10) yes
F68 . C164 . F69 . 107.1(8) yes
O7 . C171 . C172 . 99.3(6) yes
O7 . C171 . C173 . 107.0(6) yes
C172 . C171 . C173 . 107.2(8) yes
O7 . C171 . C174 . 123.0(8) yes
C172 . C171 . C174 . 108.9(6) yes
C173 . C171 . C174 . 110.1(6) yes
O17 . C171 . C172 . 121.2(8) yes
O17 . C171 . C173 . 116.0(7) yes
C172 . C171 . C173 . 107.2(8) yes
O17 . C171 . C174 . 91.9(8) yes
C172 . C171 . C174 . 108.9(6) yes
C173 . C171 . C174 . 110.1(6) yes
C171 . C172 . F71 . 112.0(7) yes
C171 . C172 . F72 . 110.8(9) yes
F71 . C172 . F72 . 106.5(7) yes
C171 . C172 . F73 . 112.0(7) yes
F71 . C172 . F73 . 106.5(10) yes
F72 . C172 . F73 . 108.7(8) yes
C171 . C173 . F74 . 112.4(6) yes
C171 . C173 . F75 . 111.6(6) yes
F74 . C173 . F75 . 108.8(8) yes
C171 . C173 . F76 . 111.2(8) yes
F74 . C173 . F76 . 106.4(6) yes
F75 . C173 . F76 . 106.2(7) yes
C171 . C174 . F77 . 113.8(7) yes
C171 . C174 . F78 . 109.1(8) yes
F77 . C174 . F78 . 108.3(9) yes
C171 . C174 . F79 . 111.1(8) yes
F77 . C174 . F79 . 106.8(7) yes
F78 . C174 . F79 . 107.4(8) yes
O8 . C181 . C182 . 109.14(5) yes
O8 . C181 . C183 . 109.10(5) yes
C182 . C181 . C183 . 109.86(5) yes
O8 . C181 . C184 . 109.11(5) yes
C182 . C181 . C184 . 109.80(5) yes
C183 . C181 . C184 . 109.80(5) yes
C181 . C182 . F81 . 108.47(5) yes
C181 . C182 . F82 . 108.48(5) yes
F81 . C182 . F82 . 110.44(5) yes
C181 . C182 . F83 . 108.47(5) yes
F81 . C182 . F83 . 110.46(5) yes
F82 . C182 . F83 . 110.46(5) yes
C181 . C183 . F84 . 108.47(5) yes
C181 . C183 . F85 . 108.46(5) yes
F84 . C183 . F85 . 110.47(5) yes
C181 . C183 . F86 . 108.46(5) yes
F84 . C183 . F86 . 110.46(5) yes
F85 . C183 . F86 . 110.45(5) yes
C181 . C184 . F87 . 108.48(5) yes
C181 . C184 . F88 . 108.46(5) yes
F87 . C184 . F88 . 110.47(5) yes
C181 . C184 . F89 . 108.45(5) yes
F87 . C184 . F89 . 110.45(5) yes
F88 . C184 . F89 . 110.47(5) yes
O18 . C185 . C186 . 109.12(5) yes
O18 . C185 . C187 . 109.12(5) yes
C186 . C185 . C187 . 109.82(5) yes
O18 . C185 . C188 . 109.12(5) yes
C186 . C185 . C188 . 109.82(5) yes
C187 . C185 . C188 . 109.82(5) yes
C185 . C186 . F181 . 108.45(5) yes
C185 . C186 . F182 . 108.46(5) yes
F181 . C186 . F182 . 110.47(5) yes
C185 . C186 . F183 . 108.45(5) yes
F181 . C186 . F183 . 110.47(5) yes
F182 . C186 . F183 . 110.47(5) yes
C185 . C187 . F184 . 108.46(5) yes
C185 . C187 . F185 . 108.46(5) yes
F184 . C187 . F185 . 110.47(5) yes
C185 . C187 . F186 . 108.45(5) yes
F184 . C187 . F186 . 110.47(5) yes
F185 . C187 . F186 . 110.47(5) yes
C185 . C188 . F187 . 108.46(5) yes
C185 . C188 . F188 . 108.45(5) yes
F187 . C188 . F188 . 110.47(5) yes
C185 . C188 . F189 . 108.45(5) yes
F187 . C188 . F189 . 110.47(5) yes
F188 . C188 . F189 . 110.47(5) yes
Ga1 . H1 . Rh1 . 96.5(4) no
Ga1 . H2 . Rh1 . 96.2(4) no
Ga2 . H21 . Rh2 . 95.7(4) no
Ga2 . H22 . Rh2 . 95.8(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 . 2.3503(6) yes
Rh1 . P1 . 2.3198(11) yes
Rh1 . P2 . 2.3176(12) yes
Rh1 . H1 . 1.392(7) no
Rh1 . H2 . 1.401(7) no
Ga1 . N1 . 1.929(4) yes
Ga1 . N2 . 1.936(4) yes
Ga1 . H1 . 1.742(7) no
Ga1 . H2 . 1.741(7) no
N1 . C2 . 1.351(6) yes
N1 . C11 . 1.452(6) yes
N2 . C4 . 1.352(6) yes
N2 . C21 . 1.444(6) yes
C2 . C3 . 1.388(7) yes
C2 . C312 . 1.500(6) yes
C3 . C4 . 1.372(7) yes
C3 . H31 . 0.950 no
C4 . C5 . 1.508(6) yes
C5 . H53 . 0.950 no
C5 . H52 . 0.950 no
C5 . H51 . 0.950 no
C11 . C12 . 1.390(8) yes
C11 . C16 . 1.409(8) yes
C12 . C13 . 1.411(8) yes
C12 . C17 . 1.509(9) yes
C13 . C14 . 1.381(11) yes
C13 . H131 . 0.950 no
C14 . C15 . 1.365(11) yes
C14 . H141 . 0.950 no
C15 . C16 . 1.391(8) yes
C15 . H151 . 0.950 no
C16 . C18 . 1.516(9) yes
C17 . C31 . 1.517(11) yes
C17 . C32 . 1.537(11) yes
C17 . H171 . 0.950 no
C18 . C33 . 1.530(8) yes
C18 . C34 . 1.531(8) yes
C18 . H181 . 0.950 no
C21 . C22 . 1.403(7) yes
C21 . C26 . 1.405(8) yes
C22 . C23 . 1.387(8) yes
C22 . C27 . 1.522(9) yes
C23 . C24 . 1.383(10) yes
C23 . H231 . 0.950 no
C24 . C25 . 1.381(9) yes
C24 . H241 . 0.950 no
C25 . C26 . 1.405(7) yes
C25 . H251 . 0.950 no
C26 . C28 . 1.514(8) yes
C27 . C35 . 1.531(9) yes
C27 . C36 . 1.530(9) yes
C27 . H271 . 0.950 no
C28 . C37 . 1.516(9) yes
C28 . C38 . 1.532(8) yes
C28 . H281 . 0.950 no
C31 . H312 . 0.950 no
C31 . H311 . 0.950 no
C31 . H313 . 0.950 no
C32 . H322 . 0.950 no
C32 . H321 . 0.950 no
C32 . H323 . 0.950 no
C33 . H332 . 0.950 no
C33 . H331 . 0.950 no
C33 . H333 . 0.950 no
C34 . H341 . 0.950 no
C34 . H343 . 0.950 no
C34 . H342 . 0.950 no
C35 . H353 . 0.950 no
C35 . H352 . 0.950 no
C35 . H351 . 0.950 no
C36 . H363 . 0.950 no
C36 . H362 . 0.950 no
C36 . H361 . 0.950 no
C37 . H373 . 0.950 no
C37 . H372 . 0.950 no
C37 . H371 . 0.950 no
C38 . H383 . 0.950 no
C38 . H382 . 0.950 no
C38 . H381 . 0.950 no
P1 . C51 . 1.849(5) yes
P1 . C61 . 1.850(5) yes
P1 . C71 . 1.846(5) yes
P2 . C53 . 1.840(5) yes
P2 . C81 . 1.870(5) yes
P2 . C91 . 1.859(5) yes
C51 . C52 . 1.521(7) yes
C51 . H512 . 0.950 no
C51 . H511 . 0.950 no
C52 . C53 . 1.546(8) yes
C52 . H521 . 0.950 no
C52 . H522 . 0.950 no
C53 . H532 . 0.950 no
C53 . H531 . 0.950 no
C61 . C62 . 1.519(8) yes
C61 . C66 . 1.543(7) yes
C61 . H611 . 0.950 no
C62 . C63 . 1.529(9) yes
C62 . H622 . 0.950 no
C62 . H621 . 0.950 no
C63 . C64 . 1.523(12) yes
C63 . H631 . 0.950 no
C63 . H632 . 0.950 no
C64 . C65 . 1.515(12) yes
C64 . H642 . 0.950 no
C64 . H641 . 0.950 no
C65 . C66 . 1.524(8) yes
C65 . H652 . 0.950 no
C65 . H651 . 0.950 no
C66 . H661 . 0.950 no
C66 . H662 . 0.950 no
C71 . C72 . 1.525(7) yes
C71 . C76 . 1.536(7) yes
C71 . H711 . 0.950 no
C72 . C73 . 1.534(7) yes
C72 . H721 . 0.950 no
C72 . H722 . 0.950 no
C73 . C74 . 1.519(11) yes
C73 . H732 . 0.950 no
C73 . H731 . 0.950 no
C74 . C75 . 1.505(11) yes
C74 . H742 . 0.950 no
C74 . H741 . 0.950 no
C75 . C76 . 1.530(8) yes
C75 . H751 . 0.950 no
C75 . H752 . 0.950 no
C76 . H762 . 0.950 no
C76 . H761 . 0.950 no
C81 . C82 . 1.541(7) yes
C81 . C86 . 1.538(7) yes
C81 . H811 . 0.950 no
C82 . C83 . 1.521(8) yes
C82 . H822 . 0.950 no
C82 . H821 . 0.950 no
C83 . C84 . 1.524(9) yes
C83 . H831 . 0.950 no
C83 . H832 . 0.950 no
C84 . C85 . 1.516(8) yes
C84 . H841 . 0.950 no
C84 . H842 . 0.950 no
C85 . C86 . 1.531(8) yes
C85 . H851 . 0.950 no
C85 . H852 . 0.950 no
C86 . H861 . 0.950 no
C86 . H862 . 0.950 no
C91 . C92 . 1.546(8) yes
C91 . C96 . 1.529(7) yes
C91 . H911 . 0.950 no
C92 . C93 . 1.526(9) yes
C92 . H921 . 0.950 no
C92 . H922 . 0.950 no
C93 . C94 . 1.503(10) yes
C93 . H932 . 0.950 no
C93 . H931 . 0.950 no
C94 . C95 . 1.538(11) yes
C94 . H942 . 0.950 no
C94 . H941 . 0.950 no
C95 . C96 . 1.521(9) yes
C95 . H951 . 0.950 no
C95 . H952 . 0.950 no
C96 . H962 . 0.950 no
C96 . H961 . 0.950 no
C312 . H3123 . 0.950 no
C312 . H3122 . 0.950 no
C312 . H3121 . 0.950 no
C231 . C217 . 1.495(10) yes
C231 . H2313 . 0.950 no
C231 . H2312 . 0.950 no
C231 . H2311 . 0.950 no
Rh2 . Ga2 . 2.3500(6) yes
Rh2 . P201 . 2.3094(11) yes
Rh2 . P202 . 2.3262(12) yes
Rh2 . H21 . 1.404(7) no
Rh2 . H22 . 1.401(7) no
Ga2 . N201 . 1.924(4) yes
Ga2 . N202 . 1.942(4) yes
Ga2 . H21 . 1.749(7) no
Ga2 . H22 . 1.750(7) no
N201 . C202 . 1.345(6) yes
N201 . C211 . 1.453(6) yes
N202 . C204 . 1.354(6) yes
N202 . C221 . 1.443(6) yes
C201 . C202 . 1.499(7) yes
C201 . H2011 . 0.950 no
C201 . H2013 . 0.950 no
C201 . H2012 . 0.950 no
C202 . C203 . 1.402(7) yes
C203 . C204 . 1.381(7) yes
C203 . H2031 . 0.950 no
C204 . C205 . 1.513(6) yes
C205 . H2052 . 0.950 no
C205 . H2051 . 0.950 no
C205 . H2053 . 0.950 no
C211 . C212 . 1.387(8) yes
C211 . C216 . 1.417(7) yes
C212 . C213 . 1.391(8) yes
C212 . C217 . 1.524(8) yes
C213 . C214 . 1.369(10) yes
C213 . H2131 . 0.950 no
C214 . C215 . 1.377(10) yes
C214 . H2141 . 0.950 no
C215 . C216 . 1.408(8) yes
C215 . H2151 . 0.950 no
C216 . C218 . 1.513(9) yes
C217 . C232 . 1.540(12) yes
C217 . H2171 . 0.950 no
C218 . C233 . 1.526(10) yes
C218 . C234 . 1.530(8) yes
C218 . H2181 . 0.950 no
C221 . C222 . 1.407(7) yes
C221 . C226 . 1.402(8) yes
C222 . C223 . 1.388(8) yes
C222 . C227 . 1.521(9) yes
C223 . C224 . 1.381(11) yes
C223 . H2231 . 0.950 no
C224 . C225 . 1.377(10) yes
C224 . H2241 . 0.950 no
C225 . C226 . 1.402(8) yes
C225 . H2251 . 0.950 no
C226 . C228 . 1.514(9) yes
C227 . C235 . 1.535(9) yes
C227 . C236 . 1.541(9) yes
C227 . H2271 . 0.950 no
C228 . C237 . 1.518(13) yes
C228 . C238 . 1.539(10) yes
C228 . H2281 . 0.950 no
C232 . H2322 . 0.950 no
C232 . H2321 . 0.950 no
C232 . H2323 . 0.950 no
C233 . H2332 . 0.950 no
C233 . H2331 . 0.950 no
C233 . H2333 . 0.950 no
C234 . H2342 . 0.950 no
C234 . H2341 . 0.950 no
C234 . H2343 . 0.950 no
C235 . H2353 . 0.950 no
C235 . H2352 . 0.950 no
C235 . H2351 . 0.950 no
C236 . H2363 . 0.950 no
C236 . H2362 . 0.950 no
C236 . H2361 . 0.950 no
C237 . H2371 . 0.950 no
C237 . H2373 . 0.950 no
C237 . H2372 . 0.950 no
C238 . H2381 . 0.950 no
C238 . H2383 . 0.950 no
C238 . H2382 . 0.950 no
P201 . C251 . 1.844(5) yes
P201 . C261 . 1.853(5) yes
P201 . C271 . 1.845(5) yes
P202 . C253 . 1.849(5) yes
P202 . C281 . 1.859(5) yes
P202 . C291 . 1.855(5) yes
C251 . C252 . 1.522(8) yes
C251 . H2511 . 0.950 no
C251 . H2512 . 0.950 no
C252 . C253 . 1.531(7) yes
C252 . H2521 . 0.950 no
C252 . H2522 . 0.950 no
C253 . H2532 . 0.950 no
C253 . H2531 . 0.950 no
C261 . C262 . 1.539(7) yes
C261 . C266 . 1.522(7) yes
C261 . H2611 . 0.950 no
C262 . C263 . 1.518(7) yes
C262 . H2622 . 0.950 no
C262 . H2621 . 0.950 no
C263 . C264 . 1.521(8) yes
C263 . H2631 . 0.950 no
C263 . H2632 . 0.950 no
C264 . C265 . 1.523(8) yes
C264 . H2641 . 0.950 no
C264 . H2642 . 0.950 no
C265 . C266 . 1.534(7) yes
C265 . H2652 . 0.950 no
C265 . H2651 . 0.950 no
C266 . H2661 . 0.950 no
C266 . H2662 . 0.950 no
C271 . C272 . 1.525(7) yes
C271 . C276 . 1.524(7) yes
C271 . H2711 . 0.950 no
C272 . C273 . 1.530(9) yes
C272 . H2721 . 0.950 no
C272 . H2722 . 0.950 no
C273 . C274 . 1.519(12) yes
C273 . H2732 . 0.950 no
C273 . H2731 . 0.950 no
C274 . C275 . 1.527(11) yes
C274 . H2741 . 0.950 no
C274 . H2742 . 0.950 no
C275 . C276 . 1.521(9) yes
C275 . H2751 . 0.950 no
C275 . H2752 . 0.950 no
C276 . H2762 . 0.950 no
C276 . H2761 . 0.950 no
C281 . C282 . 1.469(9) yes
C281 . C286 . 1.573(10) yes
C281 . H2811 . 0.950 no
C281 . C382 . 1.524(19) yes
C281 . C386 . 1.48(2) yes
C281 . H2812 . 0.952 no
C282 . C283 . 1.551(12) yes
C282 . H2821 . 0.950 no
C282 . H2822 . 0.950 no
C283 . C284 . 1.529(14) yes
C283 . H2832 . 0.950 no
C283 . H2831 . 0.950 no
C284 . C285 . 1.517(14) yes
C284 . H2841 . 0.950 no
C284 . H2842 . 0.950 no
C285 . C286 . 1.530(12) yes
C285 . H2852 . 0.950 no
C285 . H2851 . 0.950 no
C286 . H2861 . 0.950 no
C286 . H2862 . 0.950 no
C291 . C292 . 1.540(7) yes
C291 . C296 . 1.525(7) yes
C291 . H2911 . 0.950 no
C292 . C293 . 1.530(8) yes
C292 . H2921 . 0.950 no
C292 . H2922 . 0.950 no
C293 . C294 . 1.519(8) yes
C293 . H2932 . 0.950 no
C293 . H2931 . 0.950 no
C294 . C295 . 1.520(8) yes
C294 . H2941 . 0.950 no
C294 . H2942 . 0.950 no
C295 . C296 . 1.523(8) yes
C295 . H2951 . 0.950 no
C295 . H2952 . 0.950 no
C296 . H2962 . 0.950 no
C296 . H2961 . 0.950 no
C382 . C383 . 1.51(3) yes
C382 . H3822 . 0.950 no
C382 . H3821 . 0.950 no
C383 . C384 . 1.51(4) yes
C383 . H3831 . 0.950 no
C383 . H3832 . 0.950 no
C384 . C385 . 1.47(4) yes
C384 . H3842 . 0.950 no
C384 . H3841 . 0.950 no
C385 . C386 . 1.55(3) yes
C385 . H3851 . 0.950 no
C385 . H3852 . 0.950 no
C386 . H3861 . 0.950 no
C386 . H3862 . 0.950 no
Al1 . O1 . 1.702(4) yes
Al1 . O2 . 1.704(4) yes
Al1 . O3 . 1.682(4) yes
Al1 . O4 . 1.664(4) yes
O1 . C111 . 1.334(4) yes
O2 . C121 . 1.315(3) yes
O3 . C131 . 1.313(3) yes
O4 . C141 . 1.305(3) yes
C111 . C112 . 1.579(3) yes
C111 . C113 . 1.584(3) yes
C111 . C114 . 1.579(3) yes
C112 . F11 . 1.317(4) yes
C112 . F12 . 1.319(4) yes
C112 . F13 . 1.328(4) yes
C113 . F14 . 1.307(4) yes
C113 . F15 . 1.320(4) yes
C113 . F16 . 1.328(4) yes
C114 . F17 . 1.320(4) yes
C114 . F18 . 1.331(4) yes
C114 . F19 . 1.315(4) yes
C121 . C122 . 1.580(3) yes
C121 . C123 . 1.581(3) yes
C121 . C124 . 1.560(3) yes
C121 . C125 . 1.593(4) yes
C121 . C126 . 1.577(4) yes
C121 . C127 . 1.585(4) yes
C122 . F21 . 1.317(5) yes
C122 . F22 . 1.327(5) yes
C122 . F23 . 1.319(5) yes
C123 . F24 . 1.332(5) yes
C123 . F25 . 1.339(5) yes
C123 . F26 . 1.323(5) yes
C124 . F27 . 1.318(5) yes
C124 . F28 . 1.330(5) yes
C124 . F29 . 1.306(5) yes
C125 . F121 . 1.315(5) yes
C125 . F122 . 1.312(5) yes
C125 . F123 . 1.325(5) yes
C126 . F124 . 1.323(5) yes
C126 . F125 . 1.316(5) yes
C126 . F126 . 1.317(5) yes
C127 . F127 . 1.321(5) yes
C127 . F128 . 1.306(5) yes
C127 . F129 . 1.334(5) yes
C131 . C132 . 1.570(3) yes
C131 . C133 . 1.578(3) yes
C131 . C134 . 1.574(3) yes
C131 . C135 . 1.580(4) yes
C131 . C136 . 1.581(4) yes
C131 . C137 . 1.584(4) yes
C132 . F31 . 1.311(5) yes
C132 . F32 . 1.324(5) yes
C132 . F33 . 1.331(5) yes
C133 . F34 . 1.310(5) yes
C133 . F35 . 1.318(5) yes
C133 . F36 . 1.331(5) yes
C134 . F37 . 1.340(5) yes
C134 . F38 . 1.333(4) yes
C134 . F39 . 1.317(5) yes
C135 . F131 . 1.313(6) yes
C135 . F132 . 1.321(6) yes
C135 . F133 . 1.321(6) yes
C136 . F134 . 1.319(6) yes
C136 . F135 . 1.326(6) yes
C136 . F136 . 1.321(6) yes
C137 . F137 . 1.321(6) yes
C137 . F138 . 1.324(6) yes
C137 . F139 . 1.319(6) yes
C141 . C142 . 1.571(3) yes
C141 . C143 . 1.572(4) yes
C141 . C144 . 1.570(3) yes
C141 . C145 . 1.583(4) yes
C141 . C146 . 1.580(4) yes
C141 . C147 . 1.582(4) yes
C142 . F41 . 1.310(5) yes
C142 . F42 . 1.321(5) yes
C142 . F43 . 1.324(5) yes
C143 . F44 . 1.328(5) yes
C143 . F45 . 1.322(5) yes
C143 . F46 . 1.318(5) yes
C144 . F47 . 1.326(5) yes
C144 . F48 . 1.311(5) yes
C144 . F49 . 1.319(5) yes
C145 . F141 . 1.321(6) yes
C145 . F142 . 1.318(6) yes
C145 . F143 . 1.318(6) yes
C146 . F144 . 1.324(6) yes
C146 . F145 . 1.319(6) yes
C146 . F146 . 1.320(6) yes
C147 . F147 . 1.322(6) yes
C147 . F148 . 1.326(6) yes
C147 . F149 . 1.319(6) yes
Al2 . O5 . 1.717(7) yes
Al2 . O6 . 1.686(9) yes
Al2 . O7 . 1.760(7) yes
Al2 . O8 . 1.719(4) yes
Al2 . O6 . 1.686(9) yes
Al2 . O7 . 1.760(7) yes
Al2 . O8 . 1.719(4) yes
Al2 . O15 . 1.645(11) yes
Al2 . O5 . 1.717(7) yes
Al2 . O7 . 1.760(7) yes
Al2 . O8 . 1.719(4) yes
Al2 . O16 . 1.760(11) yes
Al2 . O7 . 1.760(7) yes
Al2 . O8 . 1.719(4) yes
Al2 . O15 . 1.645(11) yes
Al2 . O16 . 1.760(11) yes
Al2 . O5 . 1.717(7) yes
Al2 . O6 . 1.686(9) yes
Al2 . O8 . 1.719(4) yes
Al2 . O17 . 1.676(10) yes
Al2 . O6 . 1.686(9) yes
Al2 . O8 . 1.719(4) yes
Al2 . O15 . 1.645(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O5 . 1.717(7) yes
Al2 . O8 . 1.719(4) yes
Al2 . O16 . 1.760(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O8 . 1.719(4) yes
Al2 . O15 . 1.645(11) yes
Al2 . O16 . 1.760(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O5 . 1.717(7) yes
Al2 . O6 . 1.686(9) yes
Al2 . O7 . 1.760(7) yes
Al2 . O18 . 1.66(3) yes
Al2 . O6 . 1.686(9) yes
Al2 . O7 . 1.760(7) yes
Al2 . O15 . 1.645(11) yes
Al2 . O18 . 1.66(3) yes
Al2 . O5 . 1.717(7) yes
Al2 . O7 . 1.760(7) yes
Al2 . O16 . 1.760(11) yes
Al2 . O18 . 1.66(3) yes
Al2 . O7 . 1.760(7) yes
Al2 . O15 . 1.645(11) yes
Al2 . O16 . 1.760(11) yes
Al2 . O18 . 1.66(3) yes
Al2 . O5 . 1.717(7) yes
Al2 . O6 . 1.686(9) yes
Al2 . O17 . 1.676(10) yes
Al2 . O18 . 1.66(3) yes
Al2 . O6 . 1.686(9) yes
Al2 . O15 . 1.645(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O18 . 1.66(3) yes
Al2 . O5 . 1.717(7) yes
Al2 . O16 . 1.760(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O18 . 1.66(3) yes
Al2 . O15 . 1.645(11) yes
Al2 . O16 . 1.760(11) yes
Al2 . O17 . 1.676(10) yes
Al2 . O18 . 1.66(3) yes
O5 . C151 . 1.365(9) yes
O6 . C161 . 1.417(12) yes
O7 . C171 . 1.353(9) yes
O8 . C181 . 1.333(4) yes
O15 . C151 . 1.348(11) yes
O16 . C161 . 1.348(12) yes
O17 . C171 . 1.458(14) yes
O18 . C185 . 1.318(6) yes
C151 . C152 . 1.540(10) yes
C151 . C153 . 1.560(10) yes
C151 . C154 . 1.545(10) yes
C151 . C152 . 1.540(10) yes
C151 . C153 . 1.560(10) yes
C151 . C154 . 1.545(10) yes
C152 . F51 . 1.349(9) yes
C152 . F52 . 1.303(9) yes
C152 . F53 . 1.327(9) yes
C153 . F54 . 1.334(9) yes
C153 . F55 . 1.314(8) yes
C153 . F56 . 1.308(9) yes
C154 . F57 . 1.332(12) yes
C154 . F58 . 1.334(10) yes
C154 . F59 . 1.322(9) yes
C161 . C162 . 1.536(12) yes
C161 . C163 . 1.522(12) yes
C161 . C164 . 1.547(12) yes
C161 . C162 . 1.536(12) yes
C161 . C163 . 1.522(12) yes
C161 . C164 . 1.547(12) yes
C162 . F61 . 1.337(10) yes
C162 . F62 . 1.309(12) yes
C162 . F63 . 1.340(13) yes
C163 . F64 . 1.338(11) yes
C163 . F65 . 1.325(11) yes
C163 . F66 . 1.317(12) yes
C164 . F67 . 1.335(12) yes
C164 . F68 . 1.328(12) yes
C164 . F69 . 1.332(10) yes
C171 . C172 . 1.570(13) yes
C171 . C173 . 1.546(10) yes
C171 . C174 . 1.523(13) yes
C171 . C172 . 1.570(13) yes
C171 . C173 . 1.546(10) yes
C171 . C174 . 1.523(13) yes
C172 . F71 . 1.331(10) yes
C172 . F72 . 1.313(11) yes
C172 . F73 . 1.347(13) yes
C173 . F74 . 1.327(10) yes
C173 . F75 . 1.317(9) yes
C173 . F76 . 1.317(10) yes
C174 . F77 . 1.334(10) yes
C174 . F78 . 1.321(12) yes
C174 . F79 . 1.340(10) yes
C181 . C182 . 1.597(3) yes
C181 . C183 . 1.586(3) yes
C181 . C184 . 1.578(3) yes
C182 . F81 . 1.322(4) yes
C182 . F82 . 1.325(5) yes
C182 . F83 . 1.310(5) yes
C183 . F84 . 1.317(4) yes
C183 . F85 . 1.312(5) yes
C183 . F86 . 1.324(5) yes
C184 . F87 . 1.324(4) yes
C184 . F88 . 1.317(5) yes
C184 . F89 . 1.307(4) yes
C185 . C186 . 1.579(4) yes
C185 . C187 . 1.580(4) yes
C185 . C188 . 1.580(4) yes
C186 . F181 . 1.321(6) yes
C186 . F182 . 1.321(6) yes
C186 . F183 . 1.322(6) yes
C187 . F184 . 1.321(6) yes
C187 . F185 . 1.321(6) yes
C187 . F186 . 1.320(6) yes
C188 . F187 . 1.321(6) yes
C188 . F188 . 1.321(6) yes
C188 . F189 . 1.321(6) yes
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C18 . H181 . C2 . 131 0.95 2.59 3.295(11) yes
C237 . H2372 . C383 . 133 0.95 2.33 3.060(11) yes
C283 . H2831 . C383 . 130 0.95 1.33 2.071(11) yes
C382 . H3821 . C237 . 138 0.95 2.02 2.801(11) yes
