#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:13:15 +0100 (vie 25 de mar de 2016) $
#$Revision: 179744 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/40/7004018.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_7004018
loop_
_publ_author_name
'Spannhoff, Kirsten'
'Kehr, Gerald'
'Kehr, Seda'
'Fröhlich, Roland'
'Erker, Gerhard'
_publ_section_title
;
 Functionalized phosphorus analogues of the β-diketiminato ligand
 systems: bis(N-arylphosphinimino)acetonitrile-derived complexes of
 rhodium and iridium
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              3339
_journal_page_last               3344
_journal_paper_doi               10.1039/b802032a
_journal_year                    2008
_chemical_formula_sum            'C52 H46 N3 P2 Rh'
_chemical_formula_weight         877.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.050(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.9780(1)
_cell_length_b                   20.7312(3)
_cell_length_c                   41.3429(7)
_cell_measurement_reflns_used    20909
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      0.88
_cell_volume                     8550.6(2)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'DEnzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'NOnius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.128
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            78803
_diffrn_reflns_theta_full        68.15
_diffrn_reflns_theta_max         68.15
_diffrn_reflns_theta_min         4.27
_exptl_absorpt_coefficient_mu    4.237
_exptl_absorpt_correction_T_max  0.9201
_exptl_absorpt_correction_T_min  0.4845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1018
_refine_ls_number_reflns         15282
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0672P)²+34.0028P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1652
_reflns_number_gt                10879
_reflns_number_total             15282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802032a.txt
_cod_data_source_block           erk4168
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7004018
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1A Rh 0.29442(4) 0.76762(2) 0.140642(10) 0.03198(13) Uani 1 1 d . . .
C1A C 0.0685(6) 0.8434(3) 0.20215(14) 0.0355(14) Uani 1 1 d . . .
C2A C -0.0145(6) 0.8723(3) 0.22503(14) 0.0382(14) Uani 1 1 d . . .
N3A N -0.0837(6) 0.8969(3) 0.24301(14) 0.0621(18) Uani 1 1 d . . .
C3A C 0.4687(6) 0.7093(3) 0.13956(16) 0.0406(15) Uani 1 1 d . . .
H3A H 0.4941 0.7092 0.1616 0.049 Uiso 1 1 calc R . .
C4A C 0.3621(6) 0.6763(3) 0.12553(15) 0.0412(15) Uani 1 1 d . . .
H4A H 0.3004 0.6496 0.1361 0.049 Uiso 1 1 calc R . .
C5A C 0.3649(7) 0.6921(3) 0.08920(15) 0.0430(15) Uani 1 1 d . . .
H5A H 0.3141 0.6632 0.0743 0.052 Uiso 1 1 calc R . .
C6A C 0.3259(7) 0.7628(3) 0.08945(15) 0.0460(17) Uani 1 1 d . . .
H6A H 0.2459 0.7807 0.0811 0.055 Uiso 1 1 calc R . .
C7A C 0.4312(7) 0.7960(3) 0.10431(16) 0.0478(17) Uani 1 1 d . . .
H7A H 0.4361 0.8406 0.1084 0.057 Uiso 1 1 calc R . .
C8A C 0.5367(7) 0.7454(3) 0.11251(18) 0.0517(18) Uani 1 1 d . . .
H8A H 0.6293 0.7608 0.1167 0.062 Uiso 1 1 calc R . .
C9A C 0.5150(7) 0.6974(3) 0.08453(18) 0.0514(18) Uani 1 1 d . . .
H9A1 H 0.5380 0.7155 0.0635 0.062 Uiso 1 1 calc R . .
H9A2 H 0.5619 0.6564 0.0881 0.062 Uiso 1 1 calc R . .
N1A N 0.1598(5) 0.8470(2) 0.13940(12) 0.0360(12) Uani 1 1 d . . .
C11A C 0.1902(5) 0.9008(3) 0.11965(14) 0.0309(13) Uani 1 1 d . . .
C12A C 0.2977(6) 0.9403(3) 0.12744(17) 0.0463(16) Uani 1 1 d . . .
H12A H 0.3482 0.9324 0.1464 0.056 Uiso 1 1 calc R . .
C13A C 0.3324(7) 0.9921(3) 0.10725(19) 0.0548(19) Uani 1 1 d . . .
H13A H 0.4051 1.0190 0.1128 0.066 Uiso 1 1 calc R . .
C14A C 0.2586(8) 1.0029(4) 0.0793(2) 0.065(2) Uani 1 1 d . . .
H14A H 0.2817 1.0372 0.0657 0.077 Uiso 1 1 calc R . .
C15A C 0.1525(7) 0.9644(4) 0.07131(17) 0.0535(18) Uani 1 1 d . . .
H15A H 0.1025 0.9725 0.0522 0.064 Uiso 1 1 calc R . .
C16A C 0.1183(6) 0.9137(3) 0.09110(15) 0.0410(15) Uani 1 1 d . . .
H16A H 0.0451 0.8873 0.0853 0.049 Uiso 1 1 calc R . .
N2A N 0.2448(5) 0.7447(2) 0.18932(11) 0.0343(11) Uani 1 1 d . . .
C21A C 0.2415(6) 0.6787(3) 0.19939(13) 0.0323(13) Uani 1 1 d . . .
C22A C 0.3281(7) 0.6553(3) 0.22333(16) 0.0490(17) Uani 1 1 d . . .
H22A H 0.3928 0.6828 0.2328 0.059 Uiso 1 1 calc R . .
C23A C 0.3194(10) 0.5915(4) 0.2333(2) 0.074(3) Uani 1 1 d . . .
H23A H 0.3767 0.5764 0.2500 0.089 Uiso 1 1 calc R . .
C24A C 0.2270(10) 0.5501(4) 0.2190(2) 0.076(3) Uani 1 1 d . . .
H24A H 0.2212 0.5069 0.2257 0.091 Uiso 1 1 calc R . .
C25A C 0.1439(9) 0.5732(3) 0.19483(19) 0.062(2) Uani 1 1 d . . .
H25A H 0.0813 0.5453 0.1848 0.075 Uiso 1 1 calc R . .
C26A C 0.1510(7) 0.6358(3) 0.18512(16) 0.0449(16) Uani 1 1 d . . .
H26A H 0.0935 0.6503 0.1684 0.054 Uiso 1 1 calc R . .
P1A P 0.02836(14) 0.84244(7) 0.16100(3) 0.0308(3) Uani 1 1 d . . .
C31A C -0.0571(5) 0.7677(3) 0.15069(13) 0.0314(13) Uani 1 1 d . . .
C32A C -0.0408(6) 0.7382(3) 0.12110(14) 0.0394(14) Uani 1 1 d . . .
H32A H 0.0118 0.7582 0.1054 0.047 Uiso 1 1 calc R . .
C33A C -0.1012(7) 0.6790(4) 0.11428(17) 0.0486(17) Uani 1 1 d . . .
H33A H -0.0902 0.6594 0.0940 0.058 Uiso 1 1 calc R . .
C34A C -0.1771(7) 0.6494(3) 0.13748(18) 0.0506(18) Uani 1 1 d . . .
H34A H -0.2150 0.6087 0.1333 0.061 Uiso 1 1 calc R . .
C35A C -0.1978(6) 0.6788(3) 0.16662(17) 0.0473(17) Uani 1 1 d . . .
H35A H -0.2522 0.6588 0.1820 0.057 Uiso 1 1 calc R . .
C36A C -0.1388(6) 0.7379(3) 0.17359(16) 0.0417(15) Uani 1 1 d . . .
H36A H -0.1536 0.7580 0.1936 0.050 Uiso 1 1 calc R . .
C41A C -0.0904(6) 0.9068(3) 0.15363(14) 0.0346(13) Uani 1 1 d . . .
C42A C -0.0664(6) 0.9671(3) 0.16747(17) 0.0456(16) Uani 1 1 d . . .
H42A H 0.0111 0.9736 0.1803 0.055 Uiso 1 1 calc R . .
C43A C -0.1549(8) 1.0173(4) 0.1625(2) 0.061(2) Uani 1 1 d . . .
H43A H -0.1387 1.0576 0.1723 0.073 Uiso 1 1 calc R . .
C44A C -0.2679(7) 1.0083(4) 0.14307(18) 0.0542(19) Uani 1 1 d . . .
H44A H -0.3283 1.0424 0.1395 0.065 Uiso 1 1 calc R . .
C45A C -0.2913(7) 0.9499(4) 0.12912(18) 0.057(2) Uani 1 1 d . . .
H45A H -0.3677 0.9442 0.1158 0.068 Uiso 1 1 calc R . .
C46A C -0.2043(6) 0.8985(4) 0.13420(16) 0.0451(16) Uani 1 1 d . . .
H46A H -0.2223 0.8583 0.1245 0.054 Uiso 1 1 calc R . .
P2A P 0.21561(14) 0.80290(7) 0.21355(3) 0.0304(3) Uani 1 1 d . . .
C51A C 0.1997(6) 0.7770(3) 0.25515(14) 0.0349(13) Uani 1 1 d . . .
C52A C 0.3012(7) 0.7877(4) 0.27820(15) 0.0492(17) Uani 1 1 d . . .
H52A H 0.3764 0.8127 0.2729 0.059 Uiso 1 1 calc R . .
C53A C 0.2910(8) 0.7615(4) 0.30897(16) 0.0558(19) Uani 1 1 d . . .
H53A H 0.3599 0.7681 0.3244 0.067 Uiso 1 1 calc R . .
C54A C 0.1802(8) 0.7259(4) 0.31684(17) 0.0571(19) Uani 1 1 d . . .
H54A H 0.1733 0.7082 0.3377 0.069 Uiso 1 1 calc R . .
C55A C 0.0797(8) 0.7163(4) 0.29433(16) 0.0537(18) Uani 1 1 d . . .
H55A H 0.0039 0.6921 0.2999 0.064 Uiso 1 1 calc R . .
C56A C 0.0885(6) 0.7415(3) 0.26384(15) 0.0404(15) Uani 1 1 d . . .
H56A H 0.0186 0.7345 0.2487 0.048 Uiso 1 1 calc R . .
C61A C 0.3574(6) 0.8572(3) 0.21329(14) 0.0349(14) Uani 1 1 d . . .
C62A C 0.4831(6) 0.8363(4) 0.20528(16) 0.0469(17) Uani 1 1 d . . .
H62A H 0.4949 0.7935 0.1983 0.056 Uiso 1 1 calc R . .
C63A C 0.5922(7) 0.8769(4) 0.20731(18) 0.0557(19) Uani 1 1 d . . .
H63A H 0.6774 0.8617 0.2017 0.067 Uiso 1 1 calc R . .
C64A C 0.5771(7) 0.9390(4) 0.21742(17) 0.0534(19) Uani 1 1 d . . .
H64A H 0.6517 0.9666 0.2192 0.064 Uiso 1 1 calc R . .
C65A C 0.4526(8) 0.9606(4) 0.2249(2) 0.065(2) Uani 1 1 d . . .
H65A H 0.4420 1.0036 0.2315 0.078 Uiso 1 1 calc R . .
C66A C 0.3417(7) 0.9211(3) 0.22296(19) 0.0524(18) Uani 1 1 d . . .
H66A H 0.2566 0.9371 0.2281 0.063 Uiso 1 1 calc R . .
C71A C 0.2179(11) 0.9555(6) 0.3265(3) 0.095(3) Uani 1 1 d . . .
C72A C 0.2769(11) 0.9452(6) 0.3576(2) 0.088(3) Uani 1 1 d . . .
H72A H 0.2408 0.9145 0.3717 0.105 Uiso 1 1 calc R . .
C73A C 0.3823(13) 0.9791(7) 0.3665(3) 0.114(4) Uani 1 1 d . . .
H73A H 0.4161 0.9725 0.3876 0.137 Uiso 1 1 calc R . .
C74A C 0.4527(12) 1.0266(6) 0.3464(4) 0.104(4) Uani 1 1 d . . .
H74A H 0.5287 1.0503 0.3530 0.124 Uiso 1 1 calc R . .
C75A C 0.3940(16) 1.0310(7) 0.3180(4) 0.135(5) Uani 1 1 d . . .
H75A H 0.4332 1.0594 0.3031 0.163 Uiso 1 1 calc R . .
C76A C 0.2775(11) 0.9977(5) 0.3070(2) 0.079(3) Uani 1 1 d . . .
H76A H 0.2423 1.0053 0.2861 0.095 Uiso 1 1 calc R . .
C77A C 0.1085(11) 0.9181(6) 0.3170(3) 0.126(5) Uani 1 1 d . . .
H77A H 0.0263 0.9402 0.3225 0.189 Uiso 1 1 calc R . .
H77B H 0.1124 0.8769 0.3281 0.189 Uiso 1 1 calc R . .
H77C H 0.1103 0.9112 0.2938 0.189 Uiso 1 1 calc R . .
Rh1B Rh 0.16944(4) 0.32002(2) 0.022584(10) 0.03184(13) Uani 1 1 d . . .
C1B C 0.4030(6) 0.2388(3) 0.08347(14) 0.0364(14) Uani 1 1 d . . .
C2B C 0.4858(7) 0.2044(4) 0.10482(16) 0.0469(16) Uani 1 1 d . . .
N3B N 0.5560(7) 0.1757(4) 0.12255(16) 0.083(2) Uani 1 1 d . . .
C3B C 0.1338(7) 0.3265(4) -0.02820(15) 0.0483(17) Uani 1 1 d . . .
H3B H 0.2138 0.3089 -0.0360 0.058 Uiso 1 1 calc R . .
C4B C 0.0295(7) 0.2933(3) -0.01434(16) 0.0470(17) Uani 1 1 d . . .
H4B H 0.0246 0.2485 -0.0109 0.056 Uiso 1 1 calc R . .
C5B C -0.0760(6) 0.3432(3) -0.00568(16) 0.0457(16) Uani 1 1 d . . .
H5B H -0.1677 0.3271 -0.0017 0.055 Uiso 1 1 calc R . .
C6B C -0.0054(6) 0.3792(3) 0.02201(16) 0.0424(16) Uani 1 1 d . . .
H6B H -0.0286 0.3791 0.0439 0.051 Uiso 1 1 calc R . .
C7B C 0.1005(6) 0.4122(3) 0.00807(16) 0.0437(16) Uani 1 1 d . . .
H7B H 0.1642 0.4382 0.0189 0.052 Uiso 1 1 calc R . .
C8B C 0.0930(7) 0.3978(4) -0.02831(16) 0.0504(17) Uani 1 1 d . . .
H8B H 0.1415 0.4272 -0.0429 0.060 Uiso 1 1 calc R . .
C9B C -0.0599(7) 0.3917(4) -0.03327(17) 0.0539(19) Uani 1 1 d . . .
H9B1 H -0.1074 0.4323 -0.0295 0.065 Uiso 1 1 calc R . .
H9B2 H -0.0853 0.3739 -0.0545 0.065 Uiso 1 1 calc R . .
N1B N 0.2279(5) 0.3391(2) 0.07150(11) 0.0319(11) Uani 1 1 d . . .
C11B C 0.2092(6) 0.4020(3) 0.08310(13) 0.0324(13) Uani 1 1 d . . .
C12B C 0.3001(6) 0.4500(3) 0.07524(15) 0.0408(15) Uani 1 1 d . . .
H12B H 0.3748 0.4400 0.0627 0.049 Uiso 1 1 calc R . .
C13B C 0.2812(7) 0.5122(3) 0.08571(16) 0.0445(16) Uani 1 1 d . . .
H13B H 0.3440 0.5441 0.0804 0.053 Uiso 1 1 calc R . .
C14B C 0.1729(7) 0.5286(3) 0.10376(16) 0.0465(16) Uani 1 1 d . . .
H14B H 0.1617 0.5712 0.1109 0.056 Uiso 1 1 calc R . .
C15B C 0.0812(7) 0.4821(3) 0.11123(16) 0.0472(16) Uani 1 1 d . . .
H15B H 0.0054 0.4930 0.1232 0.057 Uiso 1 1 calc R . .
C16B C 0.0993(7) 0.4194(3) 0.10125(15) 0.0439(16) Uani 1 1 d . . .
H16B H 0.0361 0.3878 0.1068 0.053 Uiso 1 1 calc R . .
N2B N 0.3035(5) 0.2418(2) 0.01977(12) 0.0365(12) Uani 1 1 d . . .
C21B C 0.2636(6) 0.1856(3) 0.00291(14) 0.0337(13) Uani 1 1 d . . .
C22B C 0.1598(6) 0.1484(3) 0.01296(16) 0.0436(15) Uani 1 1 d . . .
H22B H 0.1160 0.1590 0.0322 0.052 Uiso 1 1 calc R . .
C23B C 0.1170(8) 0.0942(4) -0.0050(2) 0.062(2) Uani 1 1 d . . .
H23B H 0.0448 0.0693 0.0022 0.074 Uiso 1 1 calc R . .
C24B C 0.1800(9) 0.0775(4) -0.0329(2) 0.068(2) Uani 1 1 d . . .
H24B H 0.1521 0.0413 -0.0450 0.081 Uiso 1 1 calc R . .
C25B C 0.2842(9) 0.1148(4) -0.0429(2) 0.069(2) Uani 1 1 d . . .
H25B H 0.3281 0.1039 -0.0621 0.083 Uiso 1 1 calc R . .
C26B C 0.3266(7) 0.1678(3) -0.02567(16) 0.0499(17) Uani 1 1 d . . .
H26B H 0.3989 0.1924 -0.0332 0.060 Uiso 1 1 calc R . .
P1B P 0.25894(14) 0.27877(7) 0.09554(3) 0.0301(3) Uani 1 1 d . . .
C31B C 0.2838(6) 0.3059(3) 0.13642(13) 0.0317(13) Uani 1 1 d . . .
C32B C 0.1845(6) 0.2977(3) 0.15947(15) 0.0437(16) Uani 1 1 d . . .
H32B H 0.1072 0.2736 0.1545 0.052 Uiso 1 1 calc R . .
C33B C 0.2010(7) 0.3257(4) 0.18999(16) 0.0533(18) Uani 1 1 d . . .
H33B H 0.1338 0.3207 0.2054 0.064 Uiso 1 1 calc R . .
C34B C 0.3138(7) 0.3601(3) 0.19768(15) 0.0487(17) Uani 1 1 d . . .
H34B H 0.3235 0.3792 0.2182 0.058 Uiso 1 1 calc R . .
C35B C 0.4138(7) 0.3670(3) 0.17515(15) 0.0492(17) Uani 1 1 d . . .
H35B H 0.4928 0.3894 0.1807 0.059 Uiso 1 1 calc R . .
C36B C 0.3979(6) 0.3410(3) 0.14457(15) 0.0429(15) Uani 1 1 d . . .
H36B H 0.4648 0.3472 0.1292 0.051 Uiso 1 1 calc R . .
C41B C 0.1182(6) 0.2238(3) 0.09575(14) 0.0345(13) Uani 1 1 d . . .
C42B C 0.1343(7) 0.1617(3) 0.10712(17) 0.0482(17) Uani 1 1 d . . .
H42B H 0.2187 0.1480 0.1150 0.058 Uiso 1 1 calc R . .
C43B C 0.0268(8) 0.1193(4) 0.1071(2) 0.065(2) Uani 1 1 d . . .
H43B H 0.0388 0.0768 0.1145 0.078 Uiso 1 1 calc R . .
C44B C -0.0976(8) 0.1394(4) 0.0961(2) 0.063(2) Uani 1 1 d . . .
H44B H -0.1706 0.1107 0.0962 0.076 Uiso 1 1 calc R . .
C45B C -0.1143(7) 0.2007(4) 0.08505(17) 0.0537(19) Uani 1 1 d . . .
H45B H -0.1993 0.2143 0.0777 0.064 Uiso 1 1 calc R . .
C46B C -0.0083(6) 0.2431(3) 0.08458(16) 0.0444(16) Uani 1 1 d . . .
H46B H -0.0212 0.2853 0.0767 0.053 Uiso 1 1 calc R . .
P2B P 0.43679(14) 0.24449(7) 0.04238(3) 0.0303(3) Uani 1 1 d . . .
C51B C 0.5194(6) 0.3203(3) 0.03385(14) 0.0328(13) Uani 1 1 d . . .
C52B C 0.6091(6) 0.3476(3) 0.05684(16) 0.0413(15) Uani 1 1 d . . .
H52B H 0.6263 0.3263 0.0766 0.050 Uiso 1 1 calc R . .
C53B C 0.6713(6) 0.4051(4) 0.05048(19) 0.0520(18) Uani 1 1 d . . .
H53B H 0.7314 0.4228 0.0658 0.062 Uiso 1 1 calc R . .
C54B C 0.6469(8) 0.4368(4) 0.0221(2) 0.060(2) Uani 1 1 d . . .
H54B H 0.6897 0.4764 0.0181 0.071 Uiso 1 1 calc R . .
C55B C 0.5598(8) 0.4113(4) -0.00066(19) 0.0556(19) Uani 1 1 d . . .
H55B H 0.5433 0.4332 -0.0202 0.067 Uiso 1 1 calc R . .
C56B C 0.4966(6) 0.3532(3) 0.00537(16) 0.0415(15) Uani 1 1 d . . .
H56B H 0.4370 0.3360 -0.0102 0.050 Uiso 1 1 calc R . .
C61B C 0.5513(6) 0.1814(3) 0.03143(14) 0.0345(13) Uani 1 1 d . . .
C62B C 0.6502(7) 0.1912(4) 0.00909(17) 0.0515(18) Uani 1 1 d . . .
H62B H 0.6670 0.2332 0.0017 0.062 Uiso 1 1 calc R . .
C63B C 0.7244(8) 0.1409(4) -0.0025(2) 0.065(2) Uani 1 1 d . . .
H63B H 0.7916 0.1487 -0.0177 0.078 Uiso 1 1 calc R . .
C64B C 0.7005(9) 0.0787(4) 0.0081(2) 0.073(3) Uani 1 1 d . . .
H64B H 0.7505 0.0440 0.0001 0.087 Uiso 1 1 calc R . .
C65B C 0.6012(8) 0.0681(4) 0.0309(2) 0.063(2) Uani 1 1 d . . .
H65B H 0.5844 0.0262 0.0384 0.075 Uiso 1 1 calc R . .
C66B C 0.5284(7) 0.1191(3) 0.04230(17) 0.0471(16) Uani 1 1 d . . .
H66B H 0.4620 0.1118 0.0577 0.057 Uiso 1 1 calc R . .
C71B C 0.1815(16) 0.0992(8) 0.2251(4) 0.096(7) Uiso 0.468(16) 1 d PGD A 1
C72B C 0.232(2) 0.0791(9) 0.1956(4) 0.082(9) Uiso 0.468(16) 1 d PGD A 1
H72B H 0.1922 0.0440 0.1846 0.098 Uiso 0.468(16) 1 calc PR A 1
C73B C 0.340(2) 0.1110(11) 0.1823(4) 0.113(14) Uiso 0.468(16) 1 d PG A 1
H73B H 0.3741 0.0975 0.1624 0.136 Uiso 0.468(16) 1 calc PR A 1
C74B C 0.3986(19) 0.1629(10) 0.1985(5) 0.123(10) Uiso 0.468(16) 1 d PG A 1
H74B H 0.4720 0.1844 0.1896 0.148 Uiso 0.468(16) 1 calc PR A 1
C75B C 0.3484(17) 0.1829(8) 0.2280(4) 0.092(7) Uiso 0.468(16) 1 d PG A 1
H75B H 0.3879 0.2180 0.2390 0.110 Uiso 0.468(16) 1 calc PR A 1
C76B C 0.2399(17) 0.1511(8) 0.2413(3) 0.081(6) Uiso 0.468(16) 1 d PGD A 1
H76B H 0.2060 0.1646 0.2613 0.097 Uiso 0.468(16) 1 calc PR A 1
C77B C 0.064(2) 0.0700(12) 0.2374(6) 0.126(11) Uiso 0.468(16) 1 d PD A 1
H77D H 0.0405 0.0905 0.2577 0.189 Uiso 0.468(16) 1 calc PR A 1
H77E H 0.0797 0.0244 0.2411 0.189 Uiso 0.468(16) 1 calc PR A 1
H77F H -0.0097 0.0753 0.2219 0.189 Uiso 0.468(16) 1 calc PR A 1
C71C C 0.2873(13) 0.1682(6) 0.2354(3) 0.067(5) Uiso 0.532(16) 1 d PGD A 2
C72C C 0.1834(12) 0.1266(6) 0.2431(2) 0.066(5) Uiso 0.532(16) 1 d PGD A 2
H72C H 0.1379 0.1317 0.2627 0.079 Uiso 0.532(16) 1 calc PR A 2
C73C C 0.1468(13) 0.0773(6) 0.2219(3) 0.072(5) Uiso 0.532(16) 1 d PG A 2
H73C H 0.0765 0.0492 0.2271 0.086 Uiso 0.532(16) 1 calc PR A 2
C74C C 0.2141(18) 0.0697(8) 0.1930(3) 0.110(11) Uiso 0.532(16) 1 d PG A 2
H74C H 0.1893 0.0364 0.1787 0.132 Uiso 0.532(16) 1 calc PR A 2
C75C C 0.3180(18) 0.1113(9) 0.1853(3) 0.088(9) Uiso 0.532(16) 1 d PG A 2
H75C H 0.3635 0.1061 0.1658 0.105 Uiso 0.532(16) 1 calc PR A 2
C76C C 0.3546(13) 0.1605(7) 0.2065(3) 0.075(5) Uiso 0.532(16) 1 d PGD A 2
H76C H 0.4248 0.1887 0.2013 0.090 Uiso 0.532(16) 1 calc PR A 2
C77C C 0.321(2) 0.2233(10) 0.2546(5) 0.118(9) Uiso 0.532(16) 1 d PD A 2
H77G H 0.3817 0.2508 0.2428 0.176 Uiso 0.532(16) 1 calc PR A 2
H77H H 0.3642 0.2095 0.2746 0.176 Uiso 0.532(16) 1 calc PR A 2
H77I H 0.2401 0.2471 0.2594 0.176 Uiso 0.532(16) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
C4A Rh1A C3A 38.2(2) . . ?
C4A Rh1A N1A 153.4(2) . . ?
C3A Rh1A N1A 163.8(2) . . ?
C4A Rh1A C7A 80.0(3) . . ?
C3A Rh1A C7A 66.8(3) . . ?
N1A Rh1A C7A 100.5(2) . . ?
C4A Rh1A N2A 99.2(2) . . ?
C3A Rh1A N2A 95.6(2) . . ?
N1A Rh1A N2A 92.20(18) . . ?
C7A Rh1A N2A 152.7(2) . . ?
C4A Rh1A C6A 67.2(2) . . ?
C3A Rh1A C6A 79.5(2) . . ?
N1A Rh1A C6A 96.7(2) . . ?
C7A Rh1A C6A 37.9(3) . . ?
N2A Rh1A C6A 163.6(2) . . ?
C2A C1A P1A 122.4(4) . . ?
C2A C1A P2A 121.8(4) . . ?
P1A C1A P2A 115.8(3) . . ?
N3A C2A C1A 178.0(7) . . ?
C4A C3A C8A 106.6(6) . . ?
C4A C3A Rh1A 70.5(4) . . ?
C8A C3A Rh1A 96.4(4) . . ?
C3A C4A C5A 106.1(6) . . ?
C3A C4A Rh1A 71.3(4) . . ?
C5A C4A Rh1A 96.3(4) . . ?
C6A C5A C9A 100.6(5) . . ?
C6A C5A C4A 101.0(5) . . ?
C9A C5A C4A 100.1(5) . . ?
C7A C6A C5A 106.9(6) . . ?
C7A C6A Rh1A 70.4(4) . . ?
C5A C6A Rh1A 95.4(4) . . ?
C6A C7A C8A 105.7(6) . . ?
C6A C7A Rh1A 71.7(4) . . ?
C8A C7A Rh1A 95.8(4) . . ?
C3A C8A C7A 100.9(5) . . ?
C3A C8A C9A 100.1(5) . . ?
C7A C8A C9A 101.1(6) . . ?
C5A C9A C8A 94.4(5) . . ?
C11A N1A P1A 123.5(4) . . ?
C11A N1A Rh1A 118.8(3) . . ?
P1A N1A Rh1A 117.7(3) . . ?
C12A C11A C16A 117.9(6) . . ?
C12A C11A N1A 120.3(5) . . ?
C16A C11A N1A 121.7(5) . . ?
C11A C12A C13A 120.8(6) . . ?
C14A C13A C12A 119.2(7) . . ?
C15A C14A C13A 120.8(7) . . ?
C14A C15A C16A 120.1(7) . . ?
C15A C16A C11A 121.2(6) . . ?
C21A N2A P2A 122.3(4) . . ?
C21A N2A Rh1A 119.7(4) . . ?
P2A N2A Rh1A 118.0(3) . . ?
C22A C21A C26A 118.0(6) . . ?
C22A C21A N2A 121.6(6) . . ?
C26A C21A N2A 120.4(5) . . ?
C23A C22A C21A 120.2(7) . . ?
C24A C23A C22A 120.5(7) . . ?
C25A C24A C23A 118.9(7) . . ?
C26A C25A C24A 120.9(7) . . ?
C25A C26A C21A 121.5(6) . . ?
N1A P1A C1A 111.6(3) . . ?
N1A P1A C41A 113.8(3) . . ?
C1A P1A C41A 107.1(3) . . ?
N1A P1A C31A 107.7(3) . . ?
C1A P1A C31A 109.8(3) . . ?
C41A P1A C31A 106.7(3) . . ?
C32A C31A C36A 118.8(6) . . ?
C32A C31A P1A 121.6(5) . . ?
C36A C31A P1A 119.5(5) . . ?
C31A C32A C33A 120.8(6) . . ?
C34A C33A C32A 119.5(6) . . ?
C35A C34A C33A 120.5(7) . . ?
C34A C35A C36A 120.4(7) . . ?
C35A C36A C31A 119.8(6) . . ?
C46A C41A C42A 118.7(6) . . ?
C46A C41A P1A 122.2(5) . . ?
C42A C41A P1A 119.1(4) . . ?
C43A C42A C41A 120.8(6) . . ?
C42A C43A C44A 119.8(7) . . ?
C45A C44A C43A 119.9(7) . . ?
C44A C45A C46A 121.2(7) . . ?
C45A C46A C41A 119.7(7) . . ?
N2A P2A C1A 110.9(3) . . ?
N2A P2A C61A 108.3(3) . . ?
C1A P2A C61A 110.6(3) . . ?
N2A P2A C51A 113.0(3) . . ?
C1A P2A C51A 108.1(3) . . ?
C61A P2A C51A 105.8(3) . . ?
C56A C51A C52A 118.8(6) . . ?
C56A C51A P2A 119.3(4) . . ?
C52A C51A P2A 121.7(5) . . ?
C53A C52A C51A 119.9(7) . . ?
C54A C53A C52A 120.0(6) . . ?
C55A C54A C53A 120.0(7) . . ?
C56A C55A C54A 120.8(7) . . ?
C55A C56A C51A 120.5(6) . . ?
C62A C61A C66A 118.5(6) . . ?
C62A C61A P2A 121.5(5) . . ?
C66A C61A P2A 119.9(5) . . ?
C61A C62A C63A 121.1(7) . . ?
C64A C63A C62A 120.3(7) . . ?
C65A C64A C63A 119.1(7) . . ?
C64A C65A C66A 121.9(7) . . ?
C65A C66A C61A 119.1(7) . . ?
C76A C71A C77A 123.4(13) . . ?
C76A C71A C72A 117.5(12) . . ?
C77A C71A C72A 118.9(13) . . ?
C73A C72A C71A 119.3(13) . . ?
C72A C73A C74A 126.0(13) . . ?
C75A C74A C73A 110.1(13) . . ?
C74A C75A C76A 127.2(15) . . ?
C71A C76A C75A 119.8(12) . . ?
N2B Rh1B C7B 152.1(2) . . ?
N2B Rh1B C4B 99.7(2) . . ?
C7B Rh1B C4B 80.0(3) . . ?
N2B Rh1B C3B 95.1(2) . . ?
C7B Rh1B C3B 67.4(3) . . ?
C4B Rh1B C3B 37.9(3) . . ?
N2B Rh1B C6B 164.3(2) . . ?
C7B Rh1B C6B 38.3(3) . . ?
C4B Rh1B C6B 67.4(3) . . ?
C3B Rh1B C6B 80.3(3) . . ?
N2B Rh1B N1B 91.85(18) . . ?
C7B Rh1B N1B 100.6(2) . . ?
C4B Rh1B N1B 153.6(2) . . ?
C3B Rh1B N1B 164.3(2) . . ?
C6B Rh1B N1B 96.5(2) . . ?
C2B C1B P1B 123.0(5) . . ?
C2B C1B P2B 121.9(5) . . ?
P1B C1B P2B 115.0(3) . . ?
N3B C2B C1B 179.4(9) . . ?
C4B C3B C8B 106.3(6) . . ?
C4B C3B Rh1B 70.9(4) . . ?
C8B C3B Rh1B 95.9(4) . . ?
C3B C4B C5B 106.7(6) . . ?
C3B C4B Rh1B 71.2(4) . . ?
C5B C4B Rh1B 95.8(4) . . ?
C4B C5B C6B 101.4(5) . . ?
C4B C5B C9B 100.9(6) . . ?
C6B C5B C9B 100.6(6) . . ?
C7B C6B C5B 105.9(6) . . ?
C7B C6B Rh1B 70.1(4) . . ?
C5B C6B Rh1B 95.3(4) . . ?
C6B C7B C8B 106.6(6) . . ?
C6B C7B Rh1B 71.6(4) . . ?
C8B C7B Rh1B 96.4(4) . . ?
C3B C8B C7B 100.2(5) . . ?
C3B C8B C9B 100.6(6) . . ?
C7B C8B C9B 100.2(5) . . ?
C5B C9B C8B 94.1(5) . . ?
C11B N1B P1B 122.1(4) . . ?
C11B N1B Rh1B 117.5(3) . . ?
P1B N1B Rh1B 118.9(3) . . ?
C16B C11B C12B 117.7(6) . . ?
C16B C11B N1B 122.6(6) . . ?
C12B C11B N1B 119.7(5) . . ?
C13B C12B C11B 120.3(6) . . ?
C14B C13B C12B 121.3(6) . . ?
C13B C14B C15B 119.1(6) . . ?
C14B C15B C16B 120.3(6) . . ?
C15B C16B C11B 121.1(6) . . ?
C21B N2B P2B 122.5(4) . . ?
C21B N2B Rh1B 119.2(4) . . ?
P2B N2B Rh1B 117.4(3) . . ?
C22B C21B C26B 117.6(6) . . ?
C22B C21B N2B 121.8(6) . . ?
C26B C21B N2B 120.5(6) . . ?
C21B C22B C23B 121.0(7) . . ?
C24B C23B C22B 120.5(7) . . ?
C25B C24B C23B 118.4(7) . . ?
C24B C25B C26B 121.7(8) . . ?
C25B C26B C21B 120.8(7) . . ?
N1B P1B C1B 109.9(3) . . ?
N1B P1B C31B 110.9(3) . . ?
C1B P1B C31B 108.6(3) . . ?
N1B P1B C41B 110.4(3) . . ?
C1B P1B C41B 110.3(3) . . ?
C31B P1B C41B 106.7(3) . . ?
C36B C31B C32B 119.1(6) . . ?
C36B C31B P1B 119.4(4) . . ?
C32B C31B P1B 121.2(5) . . ?
C33B C32B C31B 119.6(6) . . ?
C34B C33B C32B 120.7(6) . . ?
C33B C34B C35B 119.9(6) . . ?
C36B C35B C34B 120.3(6) . . ?
C35B C36B C31B 120.4(6) . . ?
C42B C41B C46B 118.7(6) . . ?
C42B C41B P1B 120.3(5) . . ?
C46B C41B P1B 121.0(5) . . ?
C41B C42B C43B 120.4(6) . . ?
C44B C43B C42B 120.0(7) . . ?
C45B C44B C43B 119.8(7) . . ?
C44B C45B C46B 120.9(7) . . ?
C45B C46B C41B 120.2(6) . . ?
N2B P2B C1B 113.0(3) . . ?
N2B P2B C61B 110.5(3) . . ?
C1B P2B C61B 109.3(3) . . ?
N2B P2B C51B 106.9(3) . . ?
C1B P2B C51B 110.2(3) . . ?
C61B P2B C51B 106.7(3) . . ?
C56B C51B C52B 118.0(6) . . ?
C56B C51B P2B 121.8(5) . . ?
C52B C51B P2B 120.1(5) . . ?
C53B C52B C51B 120.2(6) . . ?
C54B C53B C52B 120.7(7) . . ?
C53B C54B C55B 120.2(7) . . ?
C54B C55B C56B 119.7(7) . . ?
C51B C56B C55B 121.1(7) . . ?
C62B C61B C66B 118.5(6) . . ?
C62B C61B P2B 121.8(5) . . ?
C66B C61B P2B 119.1(5) . . ?
C63B C62B C61B 121.4(7) . . ?
C62B C63B C64B 120.0(7) . . ?
C63B C64B C65B 119.2(7) . . ?
C66B C65B C64B 119.8(7) . . ?
C65B C66B C61B 121.0(7) . . ?
C72B C71B C76B 120.0 . . ?
C72B C71B C77B 120.0(8) . . ?
C76B C71B C77B 119.8(8) . . ?
C73B C72B C71B 120.0 . . ?
C72B C73B C74B 120.0 . . ?
C75B C74B C73B 120.0 . . ?
C74B C75B C76B 120.0 . . ?
C75B C76B C71B 120.0 . . ?
C72C C71C C76C 120.0 . . ?
C72C C71C C77C 122.6(7) . . ?
C76C C71C C77C 117.1(7) . . ?
C73C C72C C71C 120.0 . . ?
C72C C73C C74C 120.0 . . ?
C75C C74C C73C 120.0 . . ?
C76C C75C C74C 120.0 . . ?
C75C C76C C71C 120.0 . . ?
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
Rh1A C4A 2.109(6) . ?
Rh1A C3A 2.120(6) . ?
Rh1A N1A 2.124(5) . ?
Rh1A C7A 2.131(6) . ?
Rh1A N2A 2.135(5) . ?
Rh1A C6A 2.148(6) . ?
C1A C2A 1.402(9) . ?
C1A P1A 1.741(6) . ?
C1A P2A 1.749(6) . ?
C2A N3A 1.144(8) . ?
C3A C4A 1.383(9) . ?
C3A C8A 1.517(9) . ?
C4A C5A 1.538(9) . ?
C5A C6A 1.517(9) . ?
C5A C9A 1.518(9) . ?
C6A C7A 1.390(10) . ?
C7A C8A 1.520(10) . ?
C8A C9A 1.539(10) . ?
N1A C11A 1.418(7) . ?
N1A P1A 1.603(5) . ?
C11A C12A 1.383(8) . ?
C11A C16A 1.396(8) . ?
C12A C13A 1.407(10) . ?
C13A C14A 1.376(10) . ?
C14A C15A 1.361(10) . ?
C15A C16A 1.379(9) . ?
N2A C21A 1.429(7) . ?
N2A P2A 1.599(5) . ?
C21A C22A 1.389(8) . ?
C21A C26A 1.392(8) . ?
C22A C23A 1.389(10) . ?
C23A C24A 1.386(12) . ?
C24A C25A 1.373(11) . ?
C25A C26A 1.361(9) . ?
P1A C41A 1.806(6) . ?
P1A C31A 1.816(6) . ?
C31A C32A 1.380(8) . ?
C31A C36A 1.404(8) . ?
C32A C33A 1.394(9) . ?
C33A C34A 1.377(10) . ?
C34A C35A 1.370(10) . ?
C35A C36A 1.387(9) . ?
C41A C46A 1.391(8) . ?
C41A C42A 1.394(9) . ?
C42A C43A 1.378(9) . ?
C43A C44A 1.385(10) . ?
C44A C45A 1.360(10) . ?
C45A C46A 1.387(9) . ?
P2A C61A 1.808(6) . ?
P2A C51A 1.811(6) . ?
C51A C56A 1.385(9) . ?
C51A C52A 1.396(8) . ?
C52A C53A 1.389(9) . ?
C53A C54A 1.373(10) . ?
C54A C55A 1.370(10) . ?
C55A C56A 1.369(9) . ?
C61A C62A 1.374(9) . ?
C61A C66A 1.394(9) . ?
C62A C63A 1.378(9) . ?
C63A C64A 1.363(10) . ?
C64A C65A 1.361(11) . ?
C65A C66A 1.377(10) . ?
C71A C76A 1.338(14) . ?
C71A C77A 1.390(15) . ?
C71A C72A 1.420(14) . ?
C72A C73A 1.311(15) . ?
C73A C74A 1.476(17) . ?
C74A C75A 1.305(18) . ?
C75A C76A 1.419(17) . ?
Rh1B N2B 2.106(5) . ?
Rh1B C7B 2.114(6) . ?
Rh1B C4B 2.124(6) . ?
Rh1B C3B 2.127(6) . ?
Rh1B C6B 2.132(6) . ?
Rh1B N1B 2.132(5) . ?
C1B C2B 1.394(9) . ?
C1B P1B 1.740(6) . ?
C1B P2B 1.742(6) . ?
C2B N3B 1.168(8) . ?
C3B C4B 1.381(10) . ?
C3B C8B 1.533(10) . ?
C4B C5B 1.524(9) . ?
C5B C6B 1.528(9) . ?
C5B C9B 1.532(10) . ?
C6B C7B 1.392(9) . ?
C7B C8B 1.534(9) . ?
C8B C9B 1.541(9) . ?
N1B C11B 1.402(7) . ?
N1B P1B 1.624(5) . ?
C11B C16B 1.388(8) . ?
C11B C12B 1.390(8) . ?
C12B C13B 1.373(9) . ?
C13B C14B 1.367(9) . ?
C14B C15B 1.369(9) . ?
C15B C16B 1.377(9) . ?
N2B C21B 1.411(7) . ?
N2B P2B 1.612(5) . ?
C21B C22B 1.363(9) . ?
C21B C26B 1.399(9) . ?
C22B C23B 1.409(10) . ?
C23B C24B 1.369(12) . ?
C24B C25B 1.366(12) . ?
C25B C26B 1.372(10) . ?
P1B C31B 1.794(6) . ?
P1B C41B 1.809(6) . ?
C31B C36B 1.389(8) . ?
C31B C32B 1.397(8) . ?
C32B C33B 1.395(9) . ?
C33B C34B 1.366(10) . ?
C34B C35B 1.385(9) . ?
C35B C36B 1.381(9) . ?
C41B C42B 1.379(9) . ?
C41B C46B 1.395(8) . ?
C42B C43B 1.387(10) . ?
C43B C44B 1.378(11) . ?
C44B C45B 1.360(11) . ?
C45B C46B 1.376(9) . ?
P2B C61B 1.800(6) . ?
P2B C51B 1.813(6) . ?
C51B C56B 1.377(8) . ?
C51B C52B 1.412(8) . ?
C52B C53B 1.371(9) . ?
C53B C54B 1.363(11) . ?
C54B C55B 1.376(11) . ?
C55B C56B 1.384(9) . ?
C61B C62B 1.378(9) . ?
C61B C66B 1.388(9) . ?
C62B C63B 1.370(10) . ?
C63B C64B 1.385(11) . ?
C64B C65B 1.397(11) . ?
C65B C66B 1.370(10) . ?
C71B C72B 1.3900 . ?
C71B C76B 1.3900 . ?
C71B C77B 1.426(19) . ?
C72B C73B 1.3900 . ?
C73B C74B 1.3900 . ?
C74B C75B 1.3900 . ?
C75B C76B 1.3900 . ?
C71C C72C 1.3900 . ?
C71C C76C 1.3900 . ?
C71C C77C 1.428(19) . ?
C72C C73C 1.3900 . ?
C73C C74C 1.3900 . ?
C74C C75C 1.3900 . ?
C75C C76C 1.3900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1A Rh1A C3A C4A -143.9(7) . . . . ?
C7A Rh1A C3A C4A -103.9(4) . . . . ?
N2A Rh1A C3A C4A 97.8(4) . . . . ?
C6A Rh1A C3A C4A -66.4(4) . . . . ?
C4A Rh1A C3A C8A 105.4(6) . . . . ?
N1A Rh1A C3A C8A -38.5(10) . . . . ?
C7A Rh1A C3A C8A 1.6(4) . . . . ?
N2A Rh1A C3A C8A -156.8(4) . . . . ?
C6A Rh1A C3A C8A 39.1(4) . . . . ?
C8A C3A C4A C5A 0.3(7) . . . . ?
Rh1A C3A C4A C5A 91.3(4) . . . . ?
C8A C3A C4A Rh1A -91.0(5) . . . . ?
N1A Rh1A C4A C3A 158.5(4) . . . . ?
C7A Rh1A C4A C3A 65.0(4) . . . . ?
N2A Rh1A C4A C3A -87.3(4) . . . . ?
C6A Rh1A C4A C3A 102.4(4) . . . . ?
C3A Rh1A C4A C5A -104.9(6) . . . . ?
N1A Rh1A C4A C5A 53.6(7) . . . . ?
C7A Rh1A C4A C5A -39.9(4) . . . . ?
N2A Rh1A C4A C5A 167.8(4) . . . . ?
C6A Rh1A C4A C5A -2.5(4) . . . . ?
C3A C4A C5A C6A -69.0(6) . . . . ?
Rh1A C4A C5A C6A 3.3(5) . . . . ?
C3A C4A C5A C9A 34.0(6) . . . . ?
Rh1A C4A C5A C9A 106.4(4) . . . . ?
C9A C5A C6A C7A -34.7(6) . . . . ?
C4A C5A C6A C7A 67.8(6) . . . . ?
C9A C5A C6A Rh1A -105.9(4) . . . . ?
C4A C5A C6A Rh1A -3.3(5) . . . . ?
C4A Rh1A C6A C7A -103.5(4) . . . . ?
C3A Rh1A C6A C7A -65.6(4) . . . . ?
N1A Rh1A C6A C7A 98.5(4) . . . . ?
N2A Rh1A C6A C7A -139.3(7) . . . . ?
C4A Rh1A C6A C5A 2.5(4) . . . . ?
C3A Rh1A C6A C5A 40.4(4) . . . . ?
N1A Rh1A C6A C5A -155.5(4) . . . . ?
C7A Rh1A C6A C5A 106.1(6) . . . . ?
N2A Rh1A C6A C5A -33.3(10) . . . . ?
C5A C6A C7A C8A 1.3(7) . . . . ?
Rh1A C6A C7A C8A 91.0(5) . . . . ?
C5A C6A C7A Rh1A -89.8(4) . . . . ?
C4A Rh1A C7A C6A 65.5(4) . . . . ?
C3A Rh1A C7A C6A 103.1(4) . . . . ?
N1A Rh1A C7A C6A -87.4(4) . . . . ?
N2A Rh1A C7A C6A 156.3(5) . . . . ?
C4A Rh1A C7A C8A -39.1(4) . . . . ?
C3A Rh1A C7A C8A -1.6(4) . . . . ?
N1A Rh1A C7A C8A 167.9(4) . . . . ?
N2A Rh1A C7A C8A 51.7(7) . . . . ?
C6A Rh1A C7A C8A -104.7(6) . . . . ?
C4A C3A C8A C7A 69.4(6) . . . . ?
Rh1A C3A C8A C7A -2.1(5) . . . . ?
C4A C3A C8A C9A -34.0(7) . . . . ?
Rh1A C3A C8A C9A -105.5(5) . . . . ?
C6A C7A C8A C3A -70.5(6) . . . . ?
Rh1A C7A C8A C3A 2.1(5) . . . . ?
C6A C7A C8A C9A 32.1(7) . . . . ?
Rh1A C7A C8A C9A 104.7(5) . . . . ?
C6A C5A C9A C8A 51.3(6) . . . . ?
C4A C5A C9A C8A -52.0(6) . . . . ?
C3A C8A C9A C5A 52.4(6) . . . . ?
C7A C8A C9A C5A -50.9(6) . . . . ?
C4A Rh1A N1A C11A -94.7(6) . . . . ?
C3A Rh1A N1A C11A 30.9(10) . . . . ?
C7A Rh1A N1A C11A -6.1(5) . . . . ?
N2A Rh1A N1A C11A 149.6(4) . . . . ?
C6A Rh1A N1A C11A -44.3(5) . . . . ?
C4A Rh1A N1A P1A 85.2(6) . . . . ?
C3A Rh1A N1A P1A -149.2(7) . . . . ?
C7A Rh1A N1A P1A 173.8(3) . . . . ?
N2A Rh1A N1A P1A -30.5(3) . . . . ?
C6A Rh1A N1A P1A 135.6(3) . . . . ?
P1A N1A C11A C12A 111.6(6) . . . . ?
Rh1A N1A C11A C12A -68.5(7) . . . . ?
P1A N1A C11A C16A -71.8(7) . . . . ?
Rh1A N1A C11A C16A 108.1(6) . . . . ?
C16A C11A C12A C13A 0.4(9) . . . . ?
N1A C11A C12A C13A 177.2(6) . . . . ?
C11A C12A C13A C14A -0.5(11) . . . . ?
C12A C13A C14A C15A 0.5(12) . . . . ?
C13A C14A C15A C16A -0.4(12) . . . . ?
C14A C15A C16A C11A 0.3(11) . . . . ?
C12A C11A C16A C15A -0.3(10) . . . . ?
N1A C11A C16A C15A -177.0(6) . . . . ?
C4A Rh1A N2A C21A -10.9(4) . . . . ?
C3A Rh1A N2A C21A -49.3(4) . . . . ?
N1A Rh1A N2A C21A 144.9(4) . . . . ?
C7A Rh1A N2A C21A -97.0(6) . . . . ?
C6A Rh1A N2A C21A 22.2(10) . . . . ?
C4A Rh1A N2A P2A 167.8(3) . . . . ?
C3A Rh1A N2A P2A 129.4(3) . . . . ?
N1A Rh1A N2A P2A -36.3(3) . . . . ?
C7A Rh1A N2A P2A 81.7(6) . . . . ?
C6A Rh1A N2A P2A -159.1(7) . . . . ?
P2A N2A C21A C22A -61.5(7) . . . . ?
Rh1A N2A C21A C22A 117.2(6) . . . . ?
P2A N2A C21A C26A 119.0(6) . . . . ?
Rh1A N2A C21A C26A -62.3(7) . . . . ?
C26A C21A C22A C23A -2.6(10) . . . . ?
N2A C21A C22A C23A 177.8(7) . . . . ?
C21A C22A C23A C24A 1.8(13) . . . . ?
C22A C23A C24A C25A -0.2(14) . . . . ?
C23A C24A C25A C26A -0.5(14) . . . . ?
C24A C25A C26A C21A -0.5(12) . . . . ?
C22A C21A C26A C25A 2.0(10) . . . . ?
N2A C21A C26A C25A -178.5(6) . . . . ?
C11A N1A P1A C1A -113.0(5) . . . . ?
Rh1A N1A P1A C1A 67.2(4) . . . . ?
C11A N1A P1A C41A 8.4(6) . . . . ?
Rh1A N1A P1A C41A -171.4(3) . . . . ?
C11A N1A P1A C31A 126.5(5) . . . . ?
Rh1A N1A P1A C31A -53.4(3) . . . . ?
C2A C1A P1A N1A 146.3(5) . . . . ?
P2A C1A P1A N1A -36.5(5) . . . . ?
C2A C1A P1A C41A 21.1(6) . . . . ?
P2A C1A P1A C41A -161.7(3) . . . . ?
C2A C1A P1A C31A -94.3(6) . . . . ?
P2A C1A P1A C31A 82.8(4) . . . . ?
N1A P1A C31A C32A -24.4(5) . . . . ?
C1A P1A C31A C32A -146.1(5) . . . . ?
C41A P1A C31A C32A 98.1(5) . . . . ?
N1A P1A C31A C36A 153.7(5) . . . . ?
C1A P1A C31A C36A 32.0(5) . . . . ?
C41A P1A C31A C36A -83.8(5) . . . . ?
C36A C31A C32A C33A -1.7(9) . . . . ?
P1A C31A C32A C33A 176.4(5) . . . . ?
C31A C32A C33A C34A -0.6(10) . . . . ?
C32A C33A C34A C35A 2.5(10) . . . . ?
C33A C34A C35A C36A -2.1(10) . . . . ?
C34A C35A C36A C31A -0.2(10) . . . . ?
C32A C31A C36A C35A 2.1(9) . . . . ?
P1A C31A C36A C35A -176.0(5) . . . . ?
N1A P1A C41A C46A 100.3(6) . . . . ?
C1A P1A C41A C46A -135.9(5) . . . . ?
C31A P1A C41A C46A -18.4(6) . . . . ?
N1A P1A C41A C42A -78.7(6) . . . . ?
C1A P1A C41A C42A 45.1(6) . . . . ?
C31A P1A C41A C42A 162.6(5) . . . . ?
C46A C41A C42A C43A 1.2(10) . . . . ?
P1A C41A C42A C43A -179.7(6) . . . . ?
C41A C42A C43A C44A -1.3(11) . . . . ?
C42A C43A C44A C45A 0.3(12) . . . . ?
C43A C44A C45A C46A 0.6(12) . . . . ?
C44A C45A C46A C41A -0.6(11) . . . . ?
C42A C41A C46A C45A -0.3(10) . . . . ?
P1A C41A C46A C45A -179.3(5) . . . . ?
C21A N2A P2A C1A -114.2(5) . . . . ?
Rh1A N2A P2A C1A 67.1(4) . . . . ?
C21A N2A P2A C61A 124.2(5) . . . . ?
Rh1A N2A P2A C61A -54.4(3) . . . . ?
C21A N2A P2A C51A 7.3(5) . . . . ?
Rh1A N2A P2A C51A -171.4(3) . . . . ?
C2A C1A P2A N2A 147.9(5) . . . . ?
P1A C1A P2A N2A -29.2(4) . . . . ?
C2A C1A P2A C61A -91.8(6) . . . . ?
P1A C1A P2A C61A 91.0(4) . . . . ?
C2A C1A P2A C51A 23.5(6) . . . . ?
P1A C1A P2A C51A -153.6(3) . . . . ?
N2A P2A C51A C56A -70.0(6) . . . . ?
C1A P2A C51A C56A 53.1(6) . . . . ?
C61A P2A C51A C56A 171.6(5) . . . . ?
N2A P2A C51A C52A 105.1(6) . . . . ?
C1A P2A C51A C52A -131.9(6) . . . . ?
C61A P2A C51A C52A -13.4(6) . . . . ?
C56A C51A C52A C53A 1.6(10) . . . . ?
P2A C51A C52A C53A -173.5(6) . . . . ?
C51A C52A C53A C54A -1.0(12) . . . . ?
C52A C53A C54A C55A 0.0(12) . . . . ?
C53A C54A C55A C56A 0.4(12) . . . . ?
C54A C55A C56A C51A 0.2(11) . . . . ?
C52A C51A C56A C55A -1.2(10) . . . . ?
P2A C51A C56A C55A 174.0(5) . . . . ?
N2A P2A C61A C62A -25.2(6) . . . . ?
C1A P2A C61A C62A -146.9(5) . . . . ?
C51A P2A C61A C62A 96.3(5) . . . . ?
N2A P2A C61A C66A 158.1(5) . . . . ?
C1A P2A C61A C66A 36.4(6) . . . . ?
C51A P2A C61A C66A -80.4(6) . . . . ?
C66A C61A C62A C63A 1.3(10) . . . . ?
P2A C61A C62A C63A -175.5(5) . . . . ?
C61A C62A C63A C64A 0.1(11) . . . . ?
C62A C63A C64A C65A -1.2(12) . . . . ?
C63A C64A C65A C66A 1.1(12) . . . . ?
C64A C65A C66A C61A 0.3(13) . . . . ?
C62A C61A C66A C65A -1.4(11) . . . . ?
P2A C61A C66A C65A 175.3(6) . . . . ?
C76A C71A C72A C73A 3.1(15) . . . . ?
C77A C71A C72A C73A 178.2(10) . . . . ?
C71A C72A C73A C74A -2.9(18) . . . . ?
C72A C73A C74A C75A 0.6(18) . . . . ?
C73A C74A C75A C76A 1.7(18) . . . . ?
C77A C71A C76A C75A -176.0(10) . . . . ?
C72A C71A C76A C75A -1.1(14) . . . . ?
C74A C75A C76A C71A -1.4(19) . . . . ?
N2B Rh1B C3B C4B 99.3(4) . . . . ?
C7B Rh1B C3B C4B -103.2(5) . . . . ?
C6B Rh1B C3B C4B -65.5(4) . . . . ?
N1B Rh1B C3B C4B -144.8(7) . . . . ?
N2B Rh1B C3B C8B -155.5(4) . . . . ?
C7B Rh1B C3B C8B 2.0(4) . . . . ?
C4B Rh1B C3B C8B 105.2(6) . . . . ?
C6B Rh1B C3B C8B 39.7(4) . . . . ?
N1B Rh1B C3B C8B -39.6(11) . . . . ?
C8B C3B C4B C5B -0.2(7) . . . . ?
Rh1B C3B C4B C5B 90.6(4) . . . . ?
C8B C3B C4B Rh1B -90.7(4) . . . . ?
N2B Rh1B C4B C3B -85.8(4) . . . . ?
C7B Rh1B C4B C3B 65.9(4) . . . . ?
C6B Rh1B C4B C3B 103.7(5) . . . . ?
N1B Rh1B C4B C3B 159.5(5) . . . . ?
N2B Rh1B C4B C5B 168.5(4) . . . . ?
C7B Rh1B C4B C5B -39.8(4) . . . . ?
C3B Rh1B C4B C5B -105.7(6) . . . . ?
C6B Rh1B C4B C5B -2.0(4) . . . . ?
N1B Rh1B C4B C5B 53.7(7) . . . . ?
C3B C4B C5B C6B -69.4(6) . . . . ?
Rh1B C4B C5B C6B 2.7(5) . . . . ?
C3B C4B C5B C9B 33.9(6) . . . . ?
Rh1B C4B C5B C9B 105.9(5) . . . . ?
C4B C5B C6B C7B 68.2(6) . . . . ?
C9B C5B C6B C7B -35.3(6) . . . . ?
C4B C5B C6B Rh1B -2.7(5) . . . . ?
C9B C5B C6B Rh1B -106.1(4) . . . . ?
N2B Rh1B C6B C7B -139.6(8) . . . . ?
C4B Rh1B C6B C7B -102.9(4) . . . . ?
C3B Rh1B C6B C7B -65.6(4) . . . . ?
N1B Rh1B C6B C7B 98.8(4) . . . . ?
N2B Rh1B C6B C5B -34.6(11) . . . . ?
C7B Rh1B C6B C5B 104.9(6) . . . . ?
C4B Rh1B C6B C5B 2.0(4) . . . . ?
C3B Rh1B C6B C5B 39.3(4) . . . . ?
N1B Rh1B C6B C5B -156.2(4) . . . . ?
C5B C6B C7B C8B 1.3(7) . . . . ?
Rh1B C6B C7B C8B 91.4(5) . . . . ?
C5B C6B C7B Rh1B -90.0(4) . . . . ?
N2B Rh1B C7B C6B 157.9(4) . . . . ?
C4B Rh1B C7B C6B 66.0(4) . . . . ?
C3B Rh1B C7B C6B 103.4(4) . . . . ?
N1B Rh1B C7B C6B -87.1(4) . . . . ?
N2B Rh1B C7B C8B 52.5(7) . . . . ?
C4B Rh1B C7B C8B -39.4(4) . . . . ?
C3B Rh1B C7B C8B -2.0(4) . . . . ?
C6B Rh1B C7B C8B -105.4(6) . . . . ?
N1B Rh1B C7B C8B 167.4(4) . . . . ?
C4B C3B C8B C7B 69.2(6) . . . . ?
Rh1B C3B C8B C7B -2.6(5) . . . . ?
C4B C3B C8B C9B -33.3(6) . . . . ?
Rh1B C3B C8B C9B -105.1(5) . . . . ?
C6B C7B C8B C3B -70.0(6) . . . . ?
Rh1B C7B C8B C3B 2.6(5) . . . . ?
C6B C7B C8B C9B 32.8(7) . . . . ?
Rh1B C7B C8B C9B 105.4(5) . . . . ?
C4B C5B C9B C8B -51.2(6) . . . . ?
C6B C5B C9B C8B 52.6(6) . . . . ?
C3B C8B C9B C5B 51.0(6) . . . . ?
C7B C8B C9B C5B -51.5(6) . . . . ?
N2B Rh1B N1B C11B 155.7(4) . . . . ?
C7B Rh1B N1B C11B 0.8(5) . . . . ?
C4B Rh1B N1B C11B -87.9(6) . . . . ?
C3B Rh1B N1B C11B 39.4(10) . . . . ?
C6B Rh1B N1B C11B -37.7(4) . . . . ?
N2B Rh1B N1B P1B -38.1(3) . . . . ?
C7B Rh1B N1B P1B 167.0(3) . . . . ?
C4B Rh1B N1B P1B 78.4(6) . . . . ?
C3B Rh1B N1B P1B -154.4(7) . . . . ?
C6B Rh1B N1B P1B 128.5(3) . . . . ?
P1B N1B C11B C16B -67.5(7) . . . . ?
Rh1B N1B C11B C16B 98.3(6) . . . . ?
P1B N1B C11B C12B 115.3(5) . . . . ?
Rh1B N1B C11B C12B -78.9(6) . . . . ?
C16B C11B C12B C13B 1.0(9) . . . . ?
N1B C11B C12B C13B 178.3(6) . . . . ?
C11B C12B C13B C14B -0.6(10) . . . . ?
C12B C13B C14B C15B -0.6(10) . . . . ?
C13B C14B C15B C16B 1.3(10) . . . . ?
C14B C15B C16B C11B -0.9(10) . . . . ?
C12B C11B C16B C15B -0.3(9) . . . . ?
N1B C11B C16B C15B -177.5(6) . . . . ?
C7B Rh1B N2B C21B -102.3(6) . . . . ?
C4B Rh1B N2B C21B -15.3(5) . . . . ?
C3B Rh1B N2B C21B -53.3(5) . . . . ?
C6B Rh1B N2B C21B 18.7(11) . . . . ?
N1B Rh1B N2B C21B 140.8(4) . . . . ?
C7B Rh1B N2B P2B 88.3(5) . . . . ?
C4B Rh1B N2B P2B 175.3(3) . . . . ?
C3B Rh1B N2B P2B 137.3(3) . . . . ?
C6B Rh1B N2B P2B -150.7(7) . . . . ?
N1B Rh1B N2B P2B -28.5(3) . . . . ?
P2B N2B C21B C22B 104.8(6) . . . . ?
Rh1B N2B C21B C22B -64.0(7) . . . . ?
P2B N2B C21B C26B -77.8(7) . . . . ?
Rh1B N2B C21B C26B 113.3(6) . . . . ?
C26B C21B C22B C23B -0.5(9) . . . . ?
N2B C21B C22B C23B 176.9(6) . . . . ?
C21B C22B C23B C24B 0.5(11) . . . . ?
C22B C23B C24B C25B -0.3(12) . . . . ?
C23B C24B C25B C26B 0.1(12) . . . . ?
C24B C25B C26B C21B -0.2(12) . . . . ?
C22B C21B C26B C25B 0.4(10) . . . . ?
N2B C21B C26B C25B -177.1(6) . . . . ?
C11B N1B P1B C1B -126.7(5) . . . . ?
Rh1B N1B P1B C1B 67.7(3) . . . . ?
C11B N1B P1B C31B -6.6(5) . . . . ?
Rh1B N1B P1B C31B -172.2(3) . . . . ?
C11B N1B P1B C41B 111.4(5) . . . . ?
Rh1B N1B P1B C41B -54.2(3) . . . . ?
C2B C1B P1B N1B 152.6(6) . . . . ?
P2B C1B P1B N1B -27.6(4) . . . . ?
C2B C1B P1B C31B 31.1(7) . . . . ?
P2B C1B P1B C31B -149.1(3) . . . . ?
C2B C1B P1B C41B -85.4(6) . . . . ?
P2B C1B P1B C41B 94.4(4) . . . . ?
N1B P1B C31B C36B -69.5(5) . . . . ?
C1B P1B C31B C36B 51.4(6) . . . . ?
C41B P1B C31B C36B 170.2(5) . . . . ?
N1B P1B C31B C32B 104.2(5) . . . . ?
C1B P1B C31B C32B -134.9(5) . . . . ?
C41B P1B C31B C32B -16.1(6) . . . . ?
C36B C31B C32B C33B 0.8(10) . . . . ?
P1B C31B C32B C33B -172.9(5) . . . . ?
C31B C32B C33B C34B -0.9(11) . . . . ?
C32B C33B C34B C35B -0.7(11) . . . . ?
C33B C34B C35B C36B 2.3(11) . . . . ?
C34B C35B C36B C31B -2.3(11) . . . . ?
C32B C31B C36B C35B 0.7(10) . . . . ?
P1B C31B C36B C35B 174.6(5) . . . . ?
N1B P1B C41B C42B 162.4(5) . . . . ?
C1B P1B C41B C42B 40.7(6) . . . . ?
C31B P1B C41B C42B -77.0(6) . . . . ?
N1B P1B C41B C46B -17.7(6) . . . . ?
C1B P1B C41B C46B -139.4(5) . . . . ?
C31B P1B C41B C46B 102.9(5) . . . . ?
C46B C41B C42B C43B 0.7(10) . . . . ?
P1B C41B C42B C43B -179.5(6) . . . . ?
C41B C42B C43B C44B -1.0(12) . . . . ?
C42B C43B C44B C45B 0.5(13) . . . . ?
C43B C44B C45B C46B 0.3(12) . . . . ?
C44B C45B C46B C41B -0.6(11) . . . . ?
C42B C41B C46B C45B 0.1(10) . . . . ?
P1B C41B C46B C45B -179.7(5) . . . . ?
C21B N2B P2B C1B -101.7(5) . . . . ?
Rh1B N2B P2B C1B 67.3(4) . . . . ?
C21B N2B P2B C61B 21.1(6) . . . . ?
Rh1B N2B P2B C61B -169.9(3) . . . . ?
C21B N2B P2B C51B 136.9(5) . . . . ?
Rh1B N2B P2B C51B -54.1(4) . . . . ?
C2B C1B P2B N2B 142.0(6) . . . . ?
P1B C1B P2B N2B -37.8(5) . . . . ?
C2B C1B P2B C61B 18.5(7) . . . . ?
P1B C1B P2B C61B -161.3(3) . . . . ?
C2B C1B P2B C51B -98.5(6) . . . . ?
P1B C1B P2B C51B 81.7(4) . . . . ?
N2B P2B C51B C56B -21.9(6) . . . . ?
C1B P2B C51B C56B -145.1(5) . . . . ?
C61B P2B C51B C56B 96.3(5) . . . . ?
N2B P2B C51B C52B 157.4(5) . . . . ?
C1B P2B C51B C52B 34.3(6) . . . . ?
C61B P2B C51B C52B -84.4(5) . . . . ?
C56B C51B C52B C53B -0.4(9) . . . . ?
P2B C51B C52B C53B -179.7(5) . . . . ?
C51B C52B C53B C54B 0.5(10) . . . . ?
C52B C53B C54B C55B -0.4(11) . . . . ?
C53B C54B C55B C56B 0.2(11) . . . . ?
C52B C51B C56B C55B 0.2(9) . . . . ?
P2B C51B C56B C55B 179.5(5) . . . . ?
C54B C55B C56B C51B -0.1(10) . . . . ?
N2B P2B C61B C62B 91.8(6) . . . . ?
C1B P2B C61B C62B -143.3(6) . . . . ?
C51B P2B C61B C62B -24.1(6) . . . . ?
N2B P2B C61B C66B -79.2(6) . . . . ?
C1B P2B C61B C66B 45.7(6) . . . . ?
C51B P2B C61B C66B 164.9(5) . . . . ?
C66B C61B C62B C63B 0.4(11) . . . . ?
P2B C61B C62B C63B -170.7(6) . . . . ?
C61B C62B C63B C64B 0.3(13) . . . . ?
C62B C63B C64B C65B -0.7(14) . . . . ?
C63B C64B C65B C66B 0.4(13) . . . . ?
C64B C65B C66B C61B 0.3(12) . . . . ?
C62B C61B C66B C65B -0.7(10) . . . . ?
P2B C61B C66B C65B 170.6(6) . . . . ?
C76B C71B C72B C73B 0.0 . . . . ?
C77B C71B C72B C73B 174.8(19) . . . . ?
C71B C72B C73B C74B 0.0 . . . . ?
C72B C73B C74B C75B 0.0 . . . . ?
C73B C74B C75B C76B 0.0 . . . . ?
C74B C75B C76B C71B 0.0 . . . . ?
C72B C71B C76B C75B 0.0 . . . . ?
C77B C71B C76B C75B -174.9(19) . . . . ?
C76C C71C C72C C73C 0.0 . . . . ?
C77C C71C C72C C73C 173.8(17) . . . . ?
C71C C72C C73C C74C 0.0 . . . . ?
C72C C73C C74C C75C 0.0 . . . . ?
C73C C74C C75C C76C 0.0 . . . . ?
C74C C75C C76C C71C 0.0 . . . . ?
C72C C71C C76C C75C 0.0 . . . . ?
C77C C71C C76C C75C -174.1(16) . . . . ?
