#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:20:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179686 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/08/7000821.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_7000821
loop_
_publ_author_name
'Ciclosi, Marco'
'Estevan, Francisco'
'Lahuerta, Pascual'
'Passarelli, Vincenzo'
'Pérez-Prieto, Julia'
'Sanaú, Mercedes'
_publ_section_title
;
 Synthesis and reactivity of the novel hydride derivative RhHCl(TIMP3)
 (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane)
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2290
_journal_page_last               2297
_journal_paper_doi               10.1039/b816185b
_journal_year                    2009
_chemical_formula_moiety         'C66 H54 N3 O2 P3 Rh, B F4, 3(H2O)'
_chemical_formula_sum            'C66 H60 B Cl0 F4 N3 O5 P3 Rh'
_chemical_formula_weight         1257.75
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.7370(17)
_cell_angle_beta                 92.4900(16)
_cell_angle_gamma                90.3160(13)
_cell_formula_units_Z            2
_cell_length_a                   11.0670(3)
_cell_length_b                   13.3740(4)
_cell_length_c                   20.8830(6)
_cell_measurement_reflns_used    14051
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     3023.09(15)
_computing_cell_refinement       'Denzo & Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect(Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.730
_diffrn_measured_fraction_theta_max 0.730
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1940
_diffrn_reflns_av_sigmaI/netI    0.1024
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10301
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.426
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.006
_refine_diff_density_min         -2.207
_refine_diff_density_rms         0.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.690
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     735
_refine_ls_number_reflns         7530
_refine_ls_number_restraints     741
_refine_ls_restrained_S_all      1.625
_refine_ls_R_factor_all          0.1598
_refine_ls_R_factor_gt           0.1223
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3216
_refine_ls_wR_factor_ref         0.3831
_reflns_number_gt                5973
_reflns_number_total             7530
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816185b.txt
_cod_data_source_block           shelxl2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000821
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_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
C1 C 0.5768(8) 0.2910(8) 0.7617(4) 0.0246(17) Uani 1 1 d U . .
Rh1 Rh 0.40535(7) 0.23564(5) 0.72337(3) 0.0236(3) Uani 1 1 d U . .
P3 P 0.3453(2) 0.3777(2) 0.79065(11) 0.0271(6) Uani 1 1 d U . .
O1 O 0.2488(7) 0.1499(6) 0.6699(4) 0.0373(17) Uani 1 1 d U . .
N3 N 0.4714(8) 0.4486(7) 0.8067(4) 0.0304(17) Uani 1 1 d U . .
O2 O 0.4317(7) 0.0981(6) 0.6510(3) 0.0354(16) Uani 1 1 d U . .
P2 P 0.4735(2) 0.3090(2) 0.63354(12) 0.0292(6) Uani 1 1 d U . .
N2 N 0.6185(8) 0.2773(6) 0.6452(4) 0.0268(16) Uani 1 1 d U . .
P1 P 0.4082(2) 0.1322(2) 0.79707(11) 0.0257(6) Uani 1 1 d U . .
N1 N 0.5374(8) 0.1714(7) 0.8407(4) 0.0295(17) Uani 1 1 d U . .
C30 C 0.5809(9) 0.4059(8) 0.7763(4) 0.0297(19) Uani 1 1 d U . .
C31 C 0.6605(10) 0.4800(8) 0.7764(5) 0.033(2) Uani 1 1 d U . .
C32 C 0.6133(11) 0.5750(9) 0.8134(5) 0.037(2) Uani 1 1 d U . .
C33 C 0.4993(10) 0.5532(9) 0.8343(5) 0.036(2) Uani 1 1 d U . .
C34 C 0.4334(13) 0.6276(9) 0.8740(6) 0.047(3) Uani 1 1 d U . .
H34 H 0.3563 0.6126 0.8858 0.057 Uiso 1 1 calc R . .
C35 C 0.4816(13) 0.7207(10) 0.8950(7) 0.057(3) Uani 1 1 d U . .
H35 H 0.4393 0.7703 0.9227 0.069 Uiso 1 1 calc R . .
C36 C 0.5959(14) 0.7436(10) 0.8753(7) 0.060(3) Uani 1 1 d U . .
H36 H 0.6282 0.8091 0.8897 0.072 Uiso 1 1 calc R . .
C37 C 0.6614(12) 0.6717(9) 0.8354(7) 0.049(3) Uani 1 1 d U . .
H37 H 0.7376 0.6882 0.8232 0.059 Uiso 1 1 calc R . .
C38 C 0.7861(11) 0.4740(10) 0.7521(7) 0.051(3) Uani 1 1 d U . .
H38A H 0.8001 0.4060 0.7283 0.077 Uiso 1 1 calc R . .
H38B H 0.8434 0.4907 0.7886 0.077 Uiso 1 1 calc R . .
H38C H 0.7952 0.5215 0.7237 0.077 Uiso 1 1 calc R . .
C20 C 0.6546(9) 0.2471(8) 0.7055(4) 0.0268(19) Uani 1 1 d U . .
C21 C 0.7604(10) 0.1917(8) 0.6979(5) 0.033(2) Uani 1 1 d U . .
C22 C 0.7928(11) 0.1905(10) 0.6311(5) 0.044(3) Uani 1 1 d U . .
C23 C 0.7143(10) 0.2425(8) 0.6021(5) 0.030(2) Uani 1 1 d U . .
C24 C 0.7279(11) 0.2650(10) 0.5396(5) 0.042(3) Uani 1 1 d U . .
H24 H 0.6735 0.3058 0.5218 0.050 Uiso 1 1 calc R . .
C25 C 0.8275(14) 0.2224(12) 0.5061(6) 0.060(3) Uani 1 1 d U . .
H25 H 0.8399 0.2332 0.4643 0.072 Uiso 1 1 calc R . .
C26 C 0.9059(13) 0.1656(11) 0.5341(7) 0.056(3) Uani 1 1 d U . .
H26 H 0.9706 0.1364 0.5105 0.067 Uiso 1 1 calc R . .
C27 C 0.8926(13) 0.1480(12) 0.6014(7) 0.059(3) Uani 1 1 d U . .
H27 H 0.9480 0.1110 0.6216 0.071 Uiso 1 1 calc R . .
C28 C 0.8321(13) 0.1441(12) 0.7424(6) 0.057(4) Uani 1 1 d U . .
H28A H 0.7798 0.1088 0.7662 0.086 Uiso 1 1 calc R . .
H28B H 0.8782 0.1955 0.7726 0.086 Uiso 1 1 calc R . .
H28C H 0.8861 0.0963 0.7181 0.086 Uiso 1 1 calc R . .
C10 C 0.6081(9) 0.2538(8) 0.8252(4) 0.0288(19) Uani 1 1 d U . .
C11 C 0.7030(10) 0.2749(9) 0.8718(5) 0.032(2) Uani 1 1 d U . .
C12 C 0.6942(10) 0.2062(9) 0.9143(5) 0.034(2) Uani 1 1 d U . .
C13 C 0.5947(10) 0.1396(9) 0.8945(5) 0.033(2) Uani 1 1 d U . .
C14 C 0.5682(11) 0.0590(11) 0.9225(5) 0.043(3) Uani 1 1 d U . .
H14 H 0.5018 0.0161 0.9084 0.052 Uiso 1 1 calc R . .
C15 C 0.6465(12) 0.0451(11) 0.9733(5) 0.050(3) Uani 1 1 d U . .
H15 H 0.6328 -0.0098 0.9933 0.060 Uiso 1 1 calc R . .
C16 C 0.7403(13) 0.1068(12) 0.9947(5) 0.058(3) Uani 1 1 d U . .
H16 H 0.7899 0.0940 1.0292 0.069 Uiso 1 1 calc R . .
C17 C 0.7665(11) 0.1906(11) 0.9666(5) 0.044(3) Uani 1 1 d U . .
H17 H 0.8311 0.2346 0.9829 0.053 Uiso 1 1 calc R . .
C18 C 0.8027(14) 0.3494(12) 0.8756(7) 0.063(4) Uani 1 1 d U . .
H18A H 0.8764 0.3139 0.8641 0.095 Uiso 1 1 calc R . .
H18B H 0.8119 0.3889 0.9195 0.095 Uiso 1 1 calc R . .
H18C H 0.7850 0.3939 0.8459 0.095 Uiso 1 1 calc R . .
C91 C 0.2293(9) 0.4396(9) 0.7479(5) 0.032(2) Uani 1 1 d U . .
C92 C 0.2220(12) 0.5441(10) 0.7502(6) 0.049(3) Uani 1 1 d U . .
H92 H 0.2772 0.5886 0.7765 0.059 Uiso 1 1 calc R . .
C93 C 0.1354(15) 0.5811(12) 0.7144(7) 0.065(4) Uani 1 1 d U . .
H93 H 0.1351 0.6504 0.7136 0.078 Uiso 1 1 calc R . .
C94 C 0.0447(13) 0.5153(12) 0.6779(6) 0.059(3) Uani 1 1 d U . .
H94 H -0.0194 0.5419 0.6567 0.071 Uiso 1 1 calc R . .
C95 C 0.0523(12) 0.4168(12) 0.6744(6) 0.054(3) Uani 1 1 d U . .
H95 H -0.0043 0.3737 0.6479 0.065 Uiso 1 1 calc R . .
C96 C 0.1416(10) 0.3741(10) 0.7086(6) 0.040(2) Uani 1 1 d U . .
H96 H 0.1439 0.3039 0.7059 0.048 Uiso 1 1 calc R . .
C81 C 0.2901(10) 0.3871(8) 0.8721(5) 0.032(2) Uani 1 1 d U . .
C82 C 0.3749(11) 0.3986(9) 0.9258(5) 0.038(2) Uani 1 1 d U . .
H82 H 0.4571 0.3991 0.9183 0.046 Uiso 1 1 calc R . .
C83 C 0.3378(13) 0.4091(11) 0.9894(6) 0.055(3) Uani 1 1 d U . .
H83 H 0.3941 0.4136 1.0242 0.066 Uiso 1 1 calc R . .
C84 C 0.2174(14) 0.4127(12) 0.9996(6) 0.060(4) Uani 1 1 d U . .
H84 H 0.1918 0.4247 1.0423 0.072 Uiso 1 1 calc R . .
C85 C 0.1302(13) 0.3986(13) 0.9471(6) 0.062(4) Uani 1 1 d U . .
H85 H 0.0482 0.3972 0.9549 0.074 Uiso 1 1 calc R . .
C86 C 0.1686(10) 0.3869(10) 0.8838(5) 0.042(3) Uani 1 1 d U . .
H86 H 0.1118 0.3788 0.8489 0.050 Uiso 1 1 calc R . .
C61 C 0.4132(10) 0.2349(9) 0.5545(5) 0.035(2) Uani 1 1 d U . .
C62 C 0.2984(12) 0.2638(11) 0.5347(6) 0.052(3) Uani 1 1 d U . .
H62 H 0.2574 0.3164 0.5606 0.063 Uiso 1 1 calc R . .
C63 C 0.2466(13) 0.2106(12) 0.4739(7) 0.060(4) Uani 1 1 d U . .
H63 H 0.1736 0.2315 0.4575 0.072 Uiso 1 1 calc R . .
C64 C 0.3048(12) 0.1282(12) 0.4397(6) 0.053(3) Uani 1 1 d U . .
H64 H 0.2685 0.0906 0.4012 0.064 Uiso 1 1 calc R . .
C65 C 0.4125(13) 0.1010(11) 0.4604(6) 0.052(3) Uani 1 1 d U . .
H65 H 0.4507 0.0453 0.4357 0.062 Uiso 1 1 calc R . .
C66 C 0.4693(13) 0.1541(9) 0.5183(5) 0.045(3) Uani 1 1 d U . .
H66 H 0.5450 0.1344 0.5320 0.054 Uiso 1 1 calc R . .
C71 C 0.4812(10) 0.4422(8) 0.6199(5) 0.033(2) Uani 1 1 d U . .
C72 C 0.5941(12) 0.4838(9) 0.6113(6) 0.046(3) Uani 1 1 d U . .
H72 H 0.6651 0.4487 0.6161 0.055 Uiso 1 1 calc R . .
C73 C 0.5961(15) 0.5825(12) 0.5948(7) 0.062(3) Uani 1 1 d U . .
H73 H 0.6691 0.6136 0.5891 0.074 Uiso 1 1 calc R . .
C74 C 0.4916(16) 0.6292(10) 0.5876(7) 0.061(3) Uani 1 1 d U . .
H74 H 0.4937 0.6916 0.5745 0.073 Uiso 1 1 calc R . .
C75 C 0.3805(13) 0.5898(10) 0.5984(6) 0.055(3) Uani 1 1 d U . .
H75 H 0.3122 0.6290 0.5953 0.065 Uiso 1 1 calc R . .
C76 C 0.3663(12) 0.4939(10) 0.6137(6) 0.047(3) Uani 1 1 d U . .
H76 H 0.2915 0.4657 0.6194 0.056 Uiso 1 1 calc R . .
O3 O 1.0195(12) 0.6981(18) 0.8868(4) 0.176(11) Uani 1 1 d . . .
O4 O 0.9071(13) 0.8757(11) 0.8843(7) 0.096(4) Uiso 1 1 d . . .
C51 C 0.2860(10) 0.1358(9) 0.8512(5) 0.034(2) Uani 1 1 d U . .
C52 C 0.2968(10) 0.1565(9) 0.9178(5) 0.035(2) Uani 1 1 d U . .
H52 H 0.3723 0.1739 0.9384 0.042 Uiso 1 1 calc R . .
C53 C 0.1976(11) 0.1520(11) 0.9555(6) 0.048(3) Uani 1 1 d U . .
H53 H 0.2045 0.1708 1.0009 0.057 Uiso 1 1 calc R . .
C54 C 0.0887(12) 0.1189(12) 0.9238(7) 0.058(3) Uani 1 1 d U . .
H54 H 0.0234 0.1089 0.9485 0.069 Uiso 1 1 calc R . .
C55 C 0.0738(13) 0.1005(14) 0.8581(7) 0.062(4) Uani 1 1 d U . .
H55 H -0.0012 0.0796 0.8380 0.075 Uiso 1 1 calc R . .
C56 C 0.1724(11) 0.1132(11) 0.8201(6) 0.048(3) Uani 1 1 d U . .
H56 H 0.1619 0.1065 0.7750 0.058 Uiso 1 1 calc R . .
C41 C 0.4367(8) -0.0013(5) 0.7673(4) 0.039(2) Uani 1 1 d GU . .
C42 C 0.5525(7) -0.0291(6) 0.7481(4) 0.061(3) Uani 1 1 d GU . .
H42A H 0.6113 0.0209 0.7483 0.073 Uiso 1 1 calc R . .
C43 C 0.5803(9) -0.1317(7) 0.7284(5) 0.079(4) Uani 1 1 d GU . .
H43A H 0.6578 -0.1503 0.7155 0.094 Uiso 1 1 calc R . .
C44 C 0.4923(11) -0.2065(5) 0.7279(5) 0.083(4) Uani 1 1 d GU . .
H44A H 0.5109 -0.2751 0.7148 0.100 Uiso 1 1 calc R . .
C45 C 0.3765(10) -0.1786(6) 0.7472(6) 0.090(5) Uani 1 1 d GU . .
H45A H 0.3177 -0.2286 0.7469 0.108 Uiso 1 1 calc R . .
C46 C 0.3487(7) -0.0761(7) 0.7669(5) 0.067(4) Uani 1 1 d GU . .
H46A H 0.2712 -0.0574 0.7798 0.081 Uiso 1 1 calc R . .
C100 C 0.3209(11) 0.0837(8) 0.6406(5) 0.034(2) Uani 1 1 d U . .
C101 C 0.2691(15) -0.0087(11) 0.5931(7) 0.067(5) Uani 1 1 d U . .
H10A H 0.2396 0.0113 0.5537 0.100 Uiso 1 1 calc R . .
H10B H 0.2037 -0.0375 0.6125 0.100 Uiso 1 1 calc R . .
H10C H 0.3310 -0.0587 0.5828 0.100 Uiso 1 1 calc R . .
B1 B 1.003(2) 0.1633(18) 0.3236(12) 0.089(5) Uani 1 1 d U . .
F1 F 0.9361(19) 0.135(2) 0.2759(9) 0.225(10) Uani 1 1 d U . .
F2 F 1.0987(18) 0.215(2) 0.3081(10) 0.223(10) Uani 1 1 d U . .
F3 F 1.026(2) 0.0893(15) 0.3594(14) 0.235(10) Uani 1 1 d U . .
F4 F 0.965(3) 0.2298(18) 0.3735(10) 0.253(11) Uani 1 1 d U . .
O5 O 0.1261(6) 0.4946(6) 0.4868(3) 0.0373(19) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
C30 C1 C20 111.5(8) . . ?
C30 C1 C10 108.6(8) . . ?
C20 C1 C10 114.4(8) . . ?
C30 C1 Rh1 111.0(6) . . ?
C20 C1 Rh1 100.9(6) . . ?
C10 C1 Rh1 110.2(7) . . ?
C1 Rh1 O2 107.4(3) . . ?
C1 Rh1 O1 167.1(3) . . ?
O2 Rh1 O1 59.6(3) . . ?
C1 Rh1 P3 82.2(3) . . ?
O2 Rh1 P3 170.0(2) . . ?
O1 Rh1 P3 110.7(2) . . ?
C1 Rh1 P1 88.2(3) . . ?
O2 Rh1 P1 85.7(2) . . ?
O1 Rh1 P1 90.4(2) . . ?
P3 Rh1 P1 97.34(9) . . ?
C1 Rh1 P2 79.9(3) . . ?
O2 Rh1 P2 79.8(2) . . ?
O1 Rh1 P2 96.9(2) . . ?
P3 Rh1 P2 99.83(10) . . ?
P1 Rh1 P2 157.55(10) . . ?
N3 P3 C81 101.3(5) . . ?
N3 P3 C91 111.5(5) . . ?
C81 P3 C91 104.3(5) . . ?
N3 P3 Rh1 103.2(3) . . ?
C81 P3 Rh1 126.7(4) . . ?
C91 P3 Rh1 109.2(3) . . ?
C100 O1 Rh1 89.2(6) . . ?
C33 N3 C30 106.0(8) . . ?
C33 N3 P3 135.4(7) . . ?
C30 N3 P3 117.4(7) . . ?
C100 O2 Rh1 92.0(6) . . ?
N2 P2 C61 109.1(5) . . ?
N2 P2 C71 104.7(5) . . ?
C61 P2 C71 103.7(5) . . ?
N2 P2 Rh1 93.4(3) . . ?
C61 P2 Rh1 110.7(4) . . ?
C71 P2 Rh1 133.1(3) . . ?
C23 N2 C20 104.4(8) . . ?
C23 N2 P2 134.1(7) . . ?
C20 N2 P2 118.6(6) . . ?
N1 P1 C51 109.8(5) . . ?
N1 P1 C41 101.7(4) . . ?
C51 P1 C41 105.5(5) . . ?
N1 P1 Rh1 101.0(3) . . ?
C51 P1 Rh1 119.6(4) . . ?
C41 P1 Rh1 117.6(3) . . ?
C13 N1 C10 108.6(8) . . ?
C13 N1 P1 131.6(8) . . ?
C10 N1 P1 119.9(7) . . ?
C31 C30 N3 109.6(9) . . ?
C31 C30 C1 138.2(10) . . ?
N3 C30 C1 111.6(8) . . ?
C30 C31 C32 108.5(10) . . ?
C30 C31 C38 129.4(10) . . ?
C32 C31 C38 121.6(11) . . ?
C37 C32 C33 118.2(11) . . ?
C37 C32 C31 133.8(12) . . ?
C33 C32 C31 107.6(10) . . ?
C34 C33 C32 121.4(12) . . ?
C34 C33 N3 131.0(11) . . ?
C32 C33 N3 107.5(9) . . ?
C35 C34 C33 119.5(13) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 119.9(12) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 121.4(12) . . ?
C37 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
C36 C37 C32 119.5(13) . . ?
C36 C37 H37 120.2 . . ?
C32 C37 H37 120.2 . . ?
C31 C38 H38A 109.5 . . ?
C31 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C31 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C21 C20 N2 110.1(8) . . ?
C21 C20 C1 136.0(9) . . ?
N2 C20 C1 113.5(8) . . ?
C20 C21 C28 132.0(10) . . ?
C20 C21 C22 104.9(10) . . ?
C28 C21 C22 123.1(10) . . ?
C23 C22 C27 122.4(12) . . ?
C23 C22 C21 110.6(9) . . ?
C27 C22 C21 126.9(13) . . ?
C22 C23 C24 124.2(10) . . ?
C22 C23 N2 109.8(9) . . ?
C24 C23 N2 125.9(10) . . ?
C25 C24 C23 116.1(13) . . ?
C25 C24 H24 122.0 . . ?
C23 C24 H24 122.0 . . ?
C26 C25 C24 120.3(12) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 122.3(11) . . ?
C25 C26 H26 118.8 . . ?
C27 C26 H26 118.8 . . ?
C22 C27 C26 114.6(14) . . ?
C22 C27 H27 122.7 . . ?
C26 C27 H27 122.7 . . ?
C21 C28 H28A 109.5 . . ?
C21 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C21 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C11 C10 N1 107.2(9) . . ?
C11 C10 C1 133.3(10) . . ?
N1 C10 C1 119.0(8) . . ?
C10 C11 C12 107.9(10) . . ?
C10 C11 C18 128.1(11) . . ?
C12 C11 C18 123.8(10) . . ?
C17 C12 C13 117.6(12) . . ?
C17 C12 C11 132.2(12) . . ?
C13 C12 C11 110.0(9) . . ?
C14 C13 C12 124.0(10) . . ?
C14 C13 N1 129.8(11) . . ?
C12 C13 N1 106.1(9) . . ?
C13 C14 C15 115.7(12) . . ?
C13 C14 H14 122.1 . . ?
C15 C14 H14 122.1 . . ?
C16 C15 C14 122.7(13) . . ?
C16 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
C15 C16 C17 121.6(12) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C12 C17 C16 118.2(13) . . ?
C12 C17 H17 120.9 . . ?
C16 C17 H17 120.9 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C92 C91 C96 118.3(10) . . ?
C92 C91 P3 125.4(9) . . ?
C96 C91 P3 116.3(9) . . ?
C93 C92 C91 120.4(12) . . ?
C93 C92 H92 119.8 . . ?
C91 C92 H92 119.8 . . ?
C92 C93 C94 120.6(14) . . ?
C92 C93 H93 119.7 . . ?
C94 C93 H93 119.7 . . ?
C95 C94 C93 119.2(13) . . ?
C95 C94 H94 120.4 . . ?
C93 C94 H94 120.4 . . ?
C94 C95 C96 122.5(13) . . ?
C94 C95 H95 118.8 . . ?
C96 C95 H95 118.8 . . ?
C95 C96 C91 118.8(12) . . ?
C95 C96 H96 120.6 . . ?
C91 C96 H96 120.6 . . ?
C86 C81 C82 118.9(10) . . ?
C86 C81 P3 122.4(8) . . ?
C82 C81 P3 118.7(8) . . ?
C83 C82 C81 121.2(12) . . ?
C83 C82 H82 119.4 . . ?
C81 C82 H82 119.4 . . ?
C84 C83 C82 118.6(12) . . ?
C84 C83 H83 120.7 . . ?
C82 C83 H83 120.7 . . ?
C83 C84 C85 121.7(11) . . ?
C83 C84 H84 119.2 . . ?
C85 C84 H84 119.2 . . ?
C86 C85 C84 119.0(13) . . ?
C86 C85 H85 120.5 . . ?
C84 C85 H85 120.5 . . ?
C81 C86 C85 120.5(11) . . ?
C81 C86 H86 119.7 . . ?
C85 C86 H86 119.7 . . ?
C66 C61 C62 120.6(10) . . ?
C66 C61 P2 124.4(9) . . ?
C62 C61 P2 114.9(8) . . ?
C61 C62 C63 118.0(11) . . ?
C61 C62 H62 121.0 . . ?
C63 C62 H62 121.0 . . ?
C64 C63 C62 119.3(14) . . ?
C64 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
C65 C64 C63 121.1(11) . . ?
C65 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
C64 C65 C66 121.4(11) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C61 C66 C65 119.3(12) . . ?
C61 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C72 C71 C76 124.0(11) . . ?
C72 C71 P2 118.7(9) . . ?
C76 C71 P2 117.1(9) . . ?
C71 C72 C73 117.5(13) . . ?
C71 C72 H72 121.3 . . ?
C73 C72 H72 121.3 . . ?
C74 C73 C72 118.9(14) . . ?
C74 C73 H73 120.5 . . ?
C72 C73 H73 120.5 . . ?
C73 C74 C75 123.6(13) . . ?
C73 C74 H74 118.2 . . ?
C75 C74 H74 118.2 . . ?
C74 C75 C76 122.9(12) . . ?
C74 C75 H75 118.6 . . ?
C76 C75 H75 118.6 . . ?
C75 C76 C71 113.0(12) . . ?
C75 C76 H76 123.5 . . ?
C71 C76 H76 123.5 . . ?
C52 C51 C56 119.5(10) . . ?
C52 C51 P1 125.6(9) . . ?
C56 C51 P1 114.9(8) . . ?
C51 C52 C53 121.4(12) . . ?
C51 C52 H52 119.3 . . ?
C53 C52 H52 119.3 . . ?
C54 C53 C52 118.1(11) . . ?
C54 C53 H53 121.0 . . ?
C52 C53 H53 121.0 . . ?
C55 C54 C53 121.9(12) . . ?
C55 C54 H54 119.0 . . ?
C53 C54 H54 119.0 . . ?
C54 C55 C56 119.7(13) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C51 C56 C55 118.8(11) . . ?
C51 C56 H56 120.6 . . ?
C55 C56 H56 120.6 . . ?
C42 C41 C46 120.0 . . ?
C42 C41 P1 118.1(5) . . ?
C46 C41 P1 121.8(5) . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42A 120.0 . . ?
C43 C42 H42A 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43A 120.0 . . ?
C42 C43 H43A 120.0 . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C45 C44 H44A 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C44 C45 H45A 120.0 . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46A 120.0 . . ?
C41 C46 H46A 120.0 . . ?
O2 C100 O1 119.0(9) . . ?
O2 C100 C101 122.0(11) . . ?
O1 C100 C101 118.9(11) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
F1 B1 F4 120(3) . . ?
F1 B1 F2 110(3) . . ?
F4 B1 F2 100(2) . . ?
F1 B1 F3 114(3) . . ?
F4 B1 F3 94(2) . . ?
F2 B1 F3 117(2) . . ?
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
C1 C30 1.505(14) . ?
C1 C20 1.509(12) . ?
C1 C10 1.535(12) . ?
C1 Rh1 2.098(9) . ?
Rh1 O2 2.160(7) . ?
Rh1 O1 2.203(7) . ?
Rh1 P3 2.244(3) . ?
Rh1 P1 2.269(3) . ?
Rh1 P2 2.432(3) . ?
P3 N3 1.666(9) . ?
P3 C81 1.813(10) . ?
P3 C91 1.827(10) . ?
O1 C100 1.274(13) . ?
N3 C33 1.427(14) . ?
N3 C30 1.458(12) . ?
O2 C100 1.243(13) . ?
P2 N2 1.683(9) . ?
P2 C61 1.840(10) . ?
P2 C71 1.862(12) . ?
N2 C23 1.437(12) . ?
N2 C20 1.439(12) . ?
P1 N1 1.684(9) . ?
P1 C51 1.794(10) . ?
P1 C41 1.801(6) . ?
N1 C13 1.408(13) . ?
N1 C10 1.444(14) . ?
C30 C31 1.322(15) . ?
C31 C32 1.458(15) . ?
C31 C38 1.497(15) . ?
C32 C37 1.377(16) . ?
C32 C33 1.401(17) . ?
C33 C34 1.391(15) . ?
C34 C35 1.333(19) . ?
C34 H34 0.9300 . ?
C35 C36 1.40(2) . ?
C35 H35 0.9300 . ?
C36 C37 1.371(19) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C20 C21 1.386(15) . ?
C21 C28 1.444(17) . ?
C21 C22 1.451(16) . ?
C22 C23 1.319(16) . ?
C22 C27 1.360(16) . ?
C23 C24 1.412(15) . ?
C24 C25 1.393(17) . ?
C24 H24 0.9300 . ?
C25 C26 1.35(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.48(2) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C10 C11 1.388(14) . ?
C11 C12 1.407(16) . ?
C11 C18 1.471(17) . ?
C12 C17 1.377(15) . ?
C12 C13 1.406(16) . ?
C13 C14 1.362(16) . ?
C14 C15 1.382(16) . ?
C14 H14 0.9300 . ?
C15 C16 1.33(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.402(19) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C91 C92 1.392(17) . ?
C91 C96 1.418(15) . ?
C92 C93 1.347(18) . ?
C92 H92 0.9300 . ?
C93 C94 1.42(2) . ?
C93 H93 0.9300 . ?
C94 C95 1.31(2) . ?
C94 H94 0.9300 . ?
C95 C96 1.388(17) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C81 C86 1.378(15) . ?
C81 C82 1.413(15) . ?
C82 C83 1.387(17) . ?
C82 H82 0.9300 . ?
C83 C84 1.36(2) . ?
C83 H83 0.9300 . ?
C84 C85 1.41(2) . ?
C84 H84 0.9300 . ?
C85 C86 1.385(17) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C61 C66 1.356(16) . ?
C61 C62 1.400(17) . ?
C62 C63 1.419(18) . ?
C62 H62 0.9300 . ?
C63 C64 1.37(2) . ?
C63 H63 0.9300 . ?
C64 C65 1.33(2) . ?
C64 H64 0.9300 . ?
C65 C66 1.394(18) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C71 C72 1.398(17) . ?
C71 C76 1.465(16) . ?
C72 C73 1.431(18) . ?
C72 H72 0.9300 . ?
C73 C74 1.34(2) . ?
C73 H73 0.9300 . ?
C74 C75 1.38(2) . ?
C74 H74 0.9300 . ?
C75 C76 1.393(18) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C51 C52 1.361(14) . ?
C51 C56 1.392(17) . ?
C52 C53 1.387(15) . ?
C52 H52 0.9300 . ?
C53 C54 1.376(19) . ?
C53 H53 0.9300 . ?
C54 C55 1.35(2) . ?
C54 H54 0.9300 . ?
C55 C56 1.405(18) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C42 H42A 0.9300 . ?
C43 C44 1.3900 . ?
C43 H43A 0.9300 . ?
C44 C45 1.3900 . ?
C44 H44A 0.9300 . ?
C45 C46 1.3900 . ?
C45 H45A 0.9300 . ?
C46 H46A 0.9300 . ?
C100 C101 1.512(15) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
B1 F1 1.21(2) . ?
B1 F4 1.31(3) . ?
B1 F2 1.35(3) . ?
B1 F3 1.37(3) . ?
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
C30 C1 Rh1 O2 144.0(6) . . . . ?
C20 C1 Rh1 O2 25.7(7) . . . . ?
C10 C1 Rh1 O2 -95.6(6) . . . . ?
C30 C1 Rh1 O1 144.8(13) . . . . ?
C20 C1 Rh1 O1 26.4(19) . . . . ?
C10 C1 Rh1 O1 -94.9(16) . . . . ?
C30 C1 Rh1 P3 -33.4(6) . . . . ?
C20 C1 Rh1 P3 -151.7(6) . . . . ?
C10 C1 Rh1 P3 87.0(6) . . . . ?
C30 C1 Rh1 P1 -131.0(6) . . . . ?
C20 C1 Rh1 P1 110.7(6) . . . . ?
C10 C1 Rh1 P1 -10.7(6) . . . . ?
C30 C1 Rh1 P2 68.1(6) . . . . ?
C20 C1 Rh1 P2 -50.2(6) . . . . ?
C10 C1 Rh1 P2 -171.5(7) . . . . ?
C1 Rh1 P3 N3 17.6(4) . . . . ?
O2 Rh1 P3 N3 -147.8(12) . . . . ?
O1 Rh1 P3 N3 -162.0(4) . . . . ?
P1 Rh1 P3 N3 104.8(3) . . . . ?
P2 Rh1 P3 N3 -60.7(3) . . . . ?
C1 Rh1 P3 C81 -97.7(5) . . . . ?
O2 Rh1 P3 C81 97.0(13) . . . . ?
O1 Rh1 P3 C81 82.7(5) . . . . ?
P1 Rh1 P3 C81 -10.5(5) . . . . ?
P2 Rh1 P3 C81 -176.0(5) . . . . ?
C1 Rh1 P3 C91 136.3(5) . . . . ?
O2 Rh1 P3 C91 -29.0(13) . . . . ?
O1 Rh1 P3 C91 -43.2(5) . . . . ?
P1 Rh1 P3 C91 -136.5(4) . . . . ?
P2 Rh1 P3 C91 58.0(4) . . . . ?
C1 Rh1 O1 C100 1.3(19) . . . . ?
O2 Rh1 O1 C100 2.1(6) . . . . ?
P3 Rh1 O1 C100 179.3(6) . . . . ?
P1 Rh1 O1 C100 -82.7(6) . . . . ?
P2 Rh1 O1 C100 76.1(6) . . . . ?
C81 P3 N3 C33 -62.3(12) . . . . ?
C91 P3 N3 C33 48.2(12) . . . . ?
Rh1 P3 N3 C33 165.3(10) . . . . ?
C81 P3 N3 C30 132.2(8) . . . . ?
C91 P3 N3 C30 -117.3(8) . . . . ?
Rh1 P3 N3 C30 -0.2(8) . . . . ?
C1 Rh1 O2 C100 177.6(7) . . . . ?
O1 Rh1 O2 C100 -2.2(6) . . . . ?
P3 Rh1 O2 C100 -17.7(16) . . . . ?
P1 Rh1 O2 C100 90.8(6) . . . . ?
P2 Rh1 O2 C100 -106.4(6) . . . . ?
C1 Rh1 P2 N2 34.9(4) . . . . ?
O2 Rh1 P2 N2 -75.0(4) . . . . ?
O1 Rh1 P2 N2 -132.4(3) . . . . ?
P3 Rh1 P2 N2 115.1(3) . . . . ?
P1 Rh1 P2 N2 -24.3(4) . . . . ?
C1 Rh1 P2 C61 146.8(5) . . . . ?
O2 Rh1 P2 C61 36.9(4) . . . . ?
O1 Rh1 P2 C61 -20.5(4) . . . . ?
P3 Rh1 P2 C61 -133.0(4) . . . . ?
P1 Rh1 P2 C61 87.7(5) . . . . ?
C1 Rh1 P2 C71 -78.9(5) . . . . ?
O2 Rh1 P2 C71 171.2(5) . . . . ?
O1 Rh1 P2 C71 113.8(5) . . . . ?
P3 Rh1 P2 C71 1.3(5) . . . . ?
P1 Rh1 P2 C71 -138.1(5) . . . . ?
C61 P2 N2 C23 29.6(11) . . . . ?
C71 P2 N2 C23 -80.8(10) . . . . ?
Rh1 P2 N2 C23 142.9(10) . . . . ?
C61 P2 N2 C20 -127.7(8) . . . . ?
C71 P2 N2 C20 121.8(8) . . . . ?
Rh1 P2 N2 C20 -14.4(7) . . . . ?
C1 Rh1 P1 N1 5.1(4) . . . . ?
O2 Rh1 P1 N1 112.8(4) . . . . ?
O1 Rh1 P1 N1 172.3(3) . . . . ?
P3 Rh1 P1 N1 -76.8(3) . . . . ?
P2 Rh1 P1 N1 62.9(4) . . . . ?
C1 Rh1 P1 C51 125.6(5) . . . . ?
O2 Rh1 P1 C51 -126.8(5) . . . . ?
O1 Rh1 P1 C51 -67.3(5) . . . . ?
P3 Rh1 P1 C51 43.6(4) . . . . ?
P2 Rh1 P1 C51 -176.7(4) . . . . ?
C1 Rh1 P1 C41 -104.4(4) . . . . ?
O2 Rh1 P1 C41 3.2(4) . . . . ?
O1 Rh1 P1 C41 62.7(4) . . . . ?
P3 Rh1 P1 C41 173.7(3) . . . . ?
P2 Rh1 P1 C41 -46.6(4) . . . . ?
C51 P1 N1 C13 52.7(11) . . . . ?
C41 P1 N1 C13 -58.7(10) . . . . ?
Rh1 P1 N1 C13 179.8(9) . . . . ?
C51 P1 N1 C10 -125.6(8) . . . . ?
C41 P1 N1 C10 123.0(8) . . . . ?
Rh1 P1 N1 C10 1.6(8) . . . . ?
C33 N3 C30 C31 -8.9(12) . . . . ?
P3 N3 C30 C31 160.5(8) . . . . ?
C33 N3 C30 C1 164.2(8) . . . . ?
P3 N3 C30 C1 -26.3(11) . . . . ?
C20 C1 C30 C31 -36.0(16) . . . . ?
C10 C1 C30 C31 90.9(14) . . . . ?
Rh1 C1 C30 C31 -147.7(12) . . . . ?
C20 C1 C30 N3 153.7(8) . . . . ?
C10 C1 C30 N3 -79.3(10) . . . . ?
Rh1 C1 C30 N3 42.0(9) . . . . ?
N3 C30 C31 C32 6.3(12) . . . . ?
C1 C30 C31 C32 -164.1(11) . . . . ?
N3 C30 C31 C38 178.7(11) . . . . ?
C1 C30 C31 C38 8(2) . . . . ?
C30 C31 C32 C37 171.5(13) . . . . ?
C38 C31 C32 C37 -2(2) . . . . ?
C30 C31 C32 C33 -1.2(13) . . . . ?
C38 C31 C32 C33 -174.3(11) . . . . ?
C37 C32 C33 C34 2.5(18) . . . . ?
C31 C32 C33 C34 176.5(11) . . . . ?
C37 C32 C33 N3 -178.4(10) . . . . ?
C31 C32 C33 N3 -4.4(12) . . . . ?
C30 N3 C33 C34 -173.2(12) . . . . ?
P3 N3 C33 C34 20(2) . . . . ?
C30 N3 C33 C32 7.9(11) . . . . ?
P3 N3 C33 C32 -158.7(9) . . . . ?
C32 C33 C34 C35 -3(2) . . . . ?
N3 C33 C34 C35 178.3(12) . . . . ?
C33 C34 C35 C36 2(2) . . . . ?
C34 C35 C36 C37 -1(2) . . . . ?
C35 C36 C37 C32 1(2) . . . . ?
C33 C32 C37 C36 -1.4(19) . . . . ?
C31 C32 C37 C36 -173.5(13) . . . . ?
C23 N2 C20 C21 -3.9(12) . . . . ?
P2 N2 C20 C21 159.5(8) . . . . ?
C23 N2 C20 C1 170.7(8) . . . . ?
P2 N2 C20 C1 -25.9(11) . . . . ?
C30 C1 C20 C21 112.3(14) . . . . ?
C10 C1 C20 C21 -11.4(18) . . . . ?
Rh1 C1 C20 C21 -129.8(13) . . . . ?
C30 C1 C20 N2 -60.3(11) . . . . ?
C10 C1 C20 N2 175.9(9) . . . . ?
Rh1 C1 C20 N2 57.6(9) . . . . ?
N2 C20 C21 C28 -179.4(13) . . . . ?
C1 C20 C21 C28 8(2) . . . . ?
N2 C20 C21 C22 1.8(12) . . . . ?
C1 C20 C21 C22 -171.0(12) . . . . ?
C20 C21 C22 C23 1.2(14) . . . . ?
C28 C21 C22 C23 -177.7(12) . . . . ?
C20 C21 C22 C27 177.6(14) . . . . ?
C28 C21 C22 C27 -1(2) . . . . ?
C27 C22 C23 C24 -4(2) . . . . ?
C21 C22 C23 C24 172.8(11) . . . . ?
C27 C22 C23 N2 179.7(12) . . . . ?
C21 C22 C23 N2 -3.7(14) . . . . ?
C20 N2 C23 C22 4.7(12) . . . . ?
P2 N2 C23 C22 -154.9(10) . . . . ?
C20 N2 C23 C24 -171.8(11) . . . . ?
P2 N2 C23 C24 28.7(17) . . . . ?
C22 C23 C24 C25 4.5(19) . . . . ?
N2 C23 C24 C25 -179.6(11) . . . . ?
C23 C24 C25 C26 -2(2) . . . . ?
C24 C25 C26 C27 -2(2) . . . . ?
C23 C22 C27 C26 0(2) . . . . ?
C21 C22 C27 C26 -175.7(12) . . . . ?
C25 C26 C27 C22 2(2) . . . . ?
C13 N1 C10 C11 -3.3(11) . . . . ?
P1 N1 C10 C11 175.3(7) . . . . ?
C13 N1 C10 C1 170.3(8) . . . . ?
P1 N1 C10 C1 -11.1(12) . . . . ?
C30 C1 C10 C11 -51.8(15) . . . . ?
C20 C1 C10 C11 73.5(14) . . . . ?
Rh1 C1 C10 C11 -173.6(10) . . . . ?
C30 C1 C10 N1 136.6(9) . . . . ?
C20 C1 C10 N1 -98.1(11) . . . . ?
Rh1 C1 C10 N1 14.9(11) . . . . ?
N1 C10 C11 C12 1.4(11) . . . . ?
C1 C10 C11 C12 -170.9(10) . . . . ?
N1 C10 C11 C18 177.2(12) . . . . ?
C1 C10 C11 C18 5(2) . . . . ?
C10 C11 C12 C17 176.9(12) . . . . ?
C18 C11 C12 C17 0.9(19) . . . . ?
C10 C11 C12 C13 1.0(12) . . . . ?
C18 C11 C12 C13 -175.0(12) . . . . ?
C17 C12 C13 C14 -2.3(16) . . . . ?
C11 C12 C13 C14 174.3(10) . . . . ?
C17 C12 C13 N1 -179.6(9) . . . . ?
C11 C12 C13 N1 -3.0(11) . . . . ?
C10 N1 C13 C14 -173.2(11) . . . . ?
P1 N1 C13 C14 8.4(17) . . . . ?
C10 N1 C13 C12 3.8(11) . . . . ?
P1 N1 C13 C12 -174.6(7) . . . . ?
C12 C13 C14 C15 0.1(16) . . . . ?
N1 C13 C14 C15 176.7(11) . . . . ?
C13 C14 C15 C16 1.2(18) . . . . ?
C14 C15 C16 C17 0(2) . . . . ?
C13 C12 C17 C16 3.2(16) . . . . ?
C11 C12 C17 C16 -172.5(11) . . . . ?
C15 C16 C17 C12 -2.0(19) . . . . ?
N3 P3 C91 C92 -24.2(11) . . . . ?
C81 P3 C91 C92 84.4(11) . . . . ?
Rh1 P3 C91 C92 -137.6(10) . . . . ?
N3 P3 C91 C96 154.8(8) . . . . ?
C81 P3 C91 C96 -96.7(9) . . . . ?
Rh1 P3 C91 C96 41.3(9) . . . . ?
C96 C91 C92 C93 -1.8(19) . . . . ?
P3 C91 C92 C93 177.1(11) . . . . ?
C91 C92 C93 C94 5(2) . . . . ?
C92 C93 C94 C95 -6(2) . . . . ?
C93 C94 C95 C96 4(2) . . . . ?
C94 C95 C96 C91 -1(2) . . . . ?
C92 C91 C96 C95 -0.2(17) . . . . ?
P3 C91 C96 C95 -179.2(9) . . . . ?
N3 P3 C81 C86 146.9(10) . . . . ?
C91 P3 C81 C86 31.0(11) . . . . ?
Rh1 P3 C81 C86 -96.9(10) . . . . ?
N3 P3 C81 C82 -30.8(10) . . . . ?
C91 P3 C81 C82 -146.7(9) . . . . ?
Rh1 P3 C81 C82 85.3(10) . . . . ?
C86 C81 C82 C83 0.3(19) . . . . ?
P3 C81 C82 C83 178.1(10) . . . . ?
C81 C82 C83 C84 -3(2) . . . . ?
C82 C83 C84 C85 5(2) . . . . ?
C83 C84 C85 C86 -4(3) . . . . ?
C82 C81 C86 C85 0.5(19) . . . . ?
P3 C81 C86 C85 -177.2(11) . . . . ?
C84 C85 C86 C81 1(2) . . . . ?
N2 P2 C61 C66 11.9(13) . . . . ?
C71 P2 C61 C66 123.0(11) . . . . ?
Rh1 P2 C61 C66 -89.6(11) . . . . ?
N2 P2 C61 C62 -171.8(10) . . . . ?
C71 P2 C61 C62 -60.6(11) . . . . ?
Rh1 P2 C61 C62 86.8(10) . . . . ?
C66 C61 C62 C63 -4(2) . . . . ?
P2 C61 C62 C63 179.5(12) . . . . ?
C61 C62 C63 C64 5(2) . . . . ?
C62 C63 C64 C65 -4(2) . . . . ?
C63 C64 C65 C66 1(2) . . . . ?
C62 C61 C66 C65 1(2) . . . . ?
P2 C61 C66 C65 177.3(10) . . . . ?
C64 C65 C66 C61 0(2) . . . . ?
N2 P2 C71 C72 9.8(9) . . . . ?
C61 P2 C71 C72 -104.6(9) . . . . ?
Rh1 P2 C71 C72 119.0(8) . . . . ?
N2 P2 C71 C76 -175.0(8) . . . . ?
C61 P2 C71 C76 70.6(9) . . . . ?
Rh1 P2 C71 C76 -65.8(9) . . . . ?
C76 C71 C72 C73 -0.7(18) . . . . ?
P2 C71 C72 C73 174.2(9) . . . . ?
C71 C72 C73 C74 -0.9(19) . . . . ?
C72 C73 C74 C75 3(2) . . . . ?
C73 C74 C75 C76 -4(2) . . . . ?
C74 C75 C76 C71 2.6(18) . . . . ?
C72 C71 C76 C75 -0.2(16) . . . . ?
P2 C71 C76 C75 -175.1(8) . . . . ?
N1 P1 C51 C52 -6.5(12) . . . . ?
C41 P1 C51 C52 102.4(10) . . . . ?
Rh1 P1 C51 C52 -122.4(10) . . . . ?
N1 P1 C51 C56 174.8(9) . . . . ?
C41 P1 C51 C56 -76.3(10) . . . . ?
Rh1 P1 C51 C56 58.9(11) . . . . ?
C56 C51 C52 C53 2.3(18) . . . . ?
P1 C51 C52 C53 -176.4(10) . . . . ?
C51 C52 C53 C54 5(2) . . . . ?
C52 C53 C54 C55 -6(2) . . . . ?
C53 C54 C55 C56 1(3) . . . . ?
C52 C51 C56 C55 -7(2) . . . . ?
P1 C51 C56 C55 171.5(11) . . . . ?
C54 C55 C56 C51 6(2) . . . . ?
N1 P1 C41 C42 -38.6(6) . . . . ?
C51 P1 C41 C42 -153.2(6) . . . . ?
Rh1 P1 C41 C42 70.5(5) . . . . ?
N1 P1 C41 C46 137.6(6) . . . . ?
C51 P1 C41 C46 23.0(7) . . . . ?
Rh1 P1 C41 C46 -113.3(5) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
P1 C41 C42 C43 176.3(6) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
P1 C41 C46 C45 -176.2(7) . . . . ?
Rh1 O2 C100 O1 3.8(11) . . . . ?
Rh1 O2 C100 C101 -177.8(11) . . . . ?
Rh1 O1 C100 O2 -3.7(11) . . . . ?
Rh1 O1 C100 C101 177.8(11) . . . . ?
