#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:41:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179342 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/39/4323923.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_4323923
loop_
_publ_author_name
'Michael P. Doyle'
'Qi-Lin Zhou'
'Conrad E. Raab'
'Gregory H. P. Roos'
'Stanley H. Simonsen'
'Vincent Lynch'
_publ_section_title
;
 Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl
 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly
 Stereoselective Metal Carbene Transformations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6064
_journal_page_last               6073
_journal_paper_doi               10.1021/ic960249a
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C36 H48 N12 O16 Rh2'
_chemical_formula_weight         1110.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.61
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9590(10)
_cell_length_b                   20.1000(10)
_cell_length_c                   11.6780(10)
_cell_measurement_temperature    173(2)
_cell_volume                     2228.1(3)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_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  0.0197
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15445
_diffrn_reflns_theta_max         32.87
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.824
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_F_000             1132
_refine_diff_density_max         0.997
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_coef       0.0038(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.066
_refine_ls_goodness_of_fit_obs   1.077
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         8584
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_restrained_S_obs      1.077
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_obs          0.0306
_refine_ls_shift/esd_max         0.033
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0410P)²+0.7189P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0768
_refine_ls_wR_factor_obs         0.0740
_reflns_number_observed          7861
_reflns_number_total             8584
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960249a_2.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+0.7189P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+0.7189P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4323923
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh1 Rh 0.31128(3) 0.319619(11) 0.16173(2) 0.01990(6) Uani 1 d . .
Rh2 Rh 0.43979(3) 0.391211(12) 0.05987(2) 0.01858(5) Uani 1 d . .
N1A N 0.4778(3) 0.2585(2) 0.1920(3) 0.0265(6) Uani 1 d . .
C2A C 0.5767(4) 0.2676(2) 0.1401(3) 0.0245(7) Uani 1 d . .
N3A N 0.6718(4) 0.2134(2) 0.1644(3) 0.0294(7) Uani 1 d . .
C4A C 0.6273(5) 0.1635(2) 0.2349(4) 0.0350(9) Uani 1 d . .
H4AA H 0.6991(5) 0.1560(2) 0.3099(4) 0.041 Uiso 1 d R .
H4AB H 0.6050(5) 0.1222(2) 0.1922(4) 0.041 Uiso 1 d R .
C5A C 0.4960(4) 0.1959(2) 0.2553(3) 0.0254(7) Uani 1 d . .
H5AA H 0.4153(4) 0.1679(2) 0.2224(3) 0.031 Uiso 1 d R .
C6A C 0.5227(4) 0.2041(2) 0.3890(3) 0.0275(7) Uani 1 d . .
O7A O 0.5712(4) 0.2520(2) 0.4466(3) 0.0513(9) Uani 1 d . .
O8A O 0.4915(4) 0.1476(2) 0.4346(3) 0.0477(9) Uani 1 d . .
C9A C 0.5253(7) 0.1431(4) 0.5631(5) 0.066(2) Uani 1 d . .
H9AA H 0.4985(7) 0.1003(4) 0.5853(5) 0.080 Uiso 1 d R .
H9AB H 0.6246(7) 0.1495(4) 0.5996(5) 0.080 Uiso 1 d R .
H9AC H 0.4745(7) 0.1772(4) 0.5903(5) 0.080 Uiso 1 d R .
C10A C 0.7932(4) 0.2029(2) 0.1329(4) 0.0307(8) Uani 1 d . .
C11A C 0.8384(6) 0.2523(3) 0.0590(5) 0.0487(12) Uani 1 d . .
H11A H 0.9239(6) 0.2376(3) 0.0452(5) 0.058 Uiso 1 d R .
H11B H 0.7663(6) 0.2575(3) -0.0166(5) 0.058 Uiso 1 d R .
H11C H 0.8546(6) 0.2942(3) 0.1004(5) 0.058 Uiso 1 d R .
O12A O 0.8597(3) 0.1518(2) 0.1688(3) 0.0375(7) Uani 1 d . .
O13A O 0.5911(3) 0.3165(2) 0.0774(2) 0.0264(5) Uani 1 d . .
N1B N 0.4088(3) 0.3744(2) 0.3073(2) 0.0234(6) Uani 1 d . .
C2B C 0.5130(4) 0.4136(2) 0.3104(3) 0.0223(6) Uani 1 d . .
N3B N 0.5748(3) 0.4409(2) 0.4256(3) 0.0268(6) Uani 1 d . .
C4B C 0.5070(4) 0.4118(2) 0.5088(3) 0.0313(8) Uani 1 d . .
H4BA H 0.4802(4) 0.4453(2) 0.5562(3) 0.038 Uiso 1 d R .
H4BB H 0.5676(4) 0.3801(2) 0.5612(3) 0.038 Uiso 1 d R .
C5B C 0.3767(4) 0.3779(2) 0.4225(3) 0.0262(7) Uani 1 d . .
H5BA H 0.3663(4) 0.3338(2) 0.4505(3) 0.032 Uiso 1 d R .
C6B C 0.2455(4) 0.4185(2) 0.4126(3) 0.0276(7) Uani 1 d . .
O7B O 0.1443(3) 0.3992(2) 0.4383(3) 0.0427(7) Uani 1 d . .
O8B O 0.2599(3) 0.4802(2) 0.3764(3) 0.0369(6) Uani 1 d . .
C9B C 0.1550(5) 0.5278(3) 0.3820(5) 0.0461(11) Uani 1 d . .
H9BA H 0.1775(5) 0.5699(3) 0.3535(5) 0.056 Uiso 1 d R .
H9BB H 0.0641(5) 0.5134(3) 0.3325(5) 0.056 Uiso 1 d R .
H9BC H 0.1539(5) 0.5323(3) 0.4635(5) 0.056 Uiso 1 d R .
C10B C 0.6775(4) 0.4880(2) 0.4644(3) 0.0287(7) Uani 1 d . .
C11B C 0.7494(5) 0.5151(3) 0.3792(4) 0.0378(10) Uani 1 d . .
H11D H 0.8182(5) 0.5475(3) 0.4200(4) 0.046 Uiso 1 d R .
H11E H 0.7952(5) 0.4796(3) 0.3506(4) 0.046 Uiso 1 d R .
H11F H 0.6813(5) 0.5358(3) 0.3124(4) 0.046 Uiso 1 d R .
O12B O 0.7099(3) 0.5068(2) 0.5688(2) 0.0394(7) Uani 1 d . .
O13B O 0.5616(3) 0.42669(14) 0.2246(2) 0.0253(5) Uani 1 d . .
N1C N 0.2857(3) 0.45736(15) 0.0538(2) 0.0209(5) Uani 1 d . .
C2C C 0.1726(4) 0.4409(2) 0.0832(3) 0.0222(6) Uani 1 d . .
N3C N 0.0760(3) 0.4939(2) 0.0658(3) 0.0242(6) Uani 1 d . .
C4C C 0.1296(5) 0.5506(2) 0.0145(4) 0.0328(8) Uani 1 d . .
H4CA H 0.1373(5) 0.5894(2) 0.0641(4) 0.039 Uiso 1 d R .
H4CB H 0.0698(5) 0.5606(2) -0.0650(4) 0.039 Uiso 1 d R .
C5C C 0.2757(4) 0.5262(2) 0.0124(3) 0.0226(6) Uani 1 d . .
H5CA H 0.2816(4) 0.5279(2) -0.0681(3) 0.027 Uiso 1 d R .
C6C C 0.3909(5) 0.5689(2) 0.0942(3) 0.0308(7) Uani 1 d . .
O7C O 0.4151(5) 0.5724(2) 0.2008(3) 0.0595(11) Uani 1 d . .
O8C O 0.4619(3) 0.6025(2) 0.0326(3) 0.0401(7) Uani 1 d . .
C9C C 0.5711(6) 0.6466(3) 0.1006(6) 0.063(2) Uani 1 d . .
H9CA H 0.6150(6) 0.6678(3) 0.0475(6) 0.077 Uiso 1 d R .
H9CB H 0.5309(6) 0.6798(3) 0.1395(6) 0.077 Uiso 1 d R .
H9CC H 0.6403(6) 0.6215(3) 0.1601(6) 0.077 Uiso 1 d R .
C10C C -0.0533(4) 0.4972(2) 0.0856(4) 0.0275(7) Uani 1 d . .
C11C C -0.1079(4) 0.4381(2) 0.1352(4) 0.0353(8) Uani 1 d . .
H11G H -0.1985(4) 0.4481(2) 0.1439(4) 0.042 Uiso 1 d R .
H11H H -0.1163(4) 0.4010(2) 0.0817(4) 0.042 Uiso 1 d R .
H11I H -0.0434(4) 0.4270(2) 0.2123(4) 0.042 Uiso 1 d R .
O12C O -0.1197(3) 0.5487(2) 0.0605(3) 0.0419(8) Uani 1 d . .
O13C O 0.1458(3) 0.38552(14) 0.1221(2) 0.0250(5) Uani 1 d . .
N1D N 0.3259(3) 0.34755(15) -0.0924(2) 0.0208(5) Uani 1 d . .
C2D C 0.2425(4) 0.2964(2) -0.0933(3) 0.0240(6) Uani 1 d . .
N3D N 0.1901(3) 0.2699(2) -0.2098(3) 0.0253(6) Uani 1 d . .
C4D C 0.2598(4) 0.3021(2) -0.2879(3) 0.0291(7) Uani 1 d . .
H4DA H 0.1928(4) 0.3168(2) -0.3614(3) 0.035 Uiso 1 d R .
H4DB H 0.3264(4) 0.2728(2) -0.3065(3) 0.035 Uiso 1 d R .
C5D C 0.3346(3) 0.3616(2) -0.2120(3) 0.0212(6) Uani 1 d . .
H5DA H 0.4316(3) 0.3623(2) -0.2102(3) 0.026 Uiso 1 d R .
C6D C 0.2653(4) 0.4272(2) -0.2621(3) 0.0241(6) Uani 1 d . .
O7D O 0.3161(3) 0.4673(2) -0.3128(3) 0.0391(7) Uani 1 d . .
O8D O 0.1381(3) 0.4334(2) -0.2468(3) 0.0326(6) Uani 1 d . .
C9D C 0.0556(5) 0.4898(3) -0.3067(4) 0.0439(10) Uani 1 d . .
H9DA H -0.0334(5) 0.4899(3) -0.2907(4) 0.052 Uiso 1 d R .
H9DB H 0.1056(5) 0.5300(3) -0.2765(4) 0.052 Uiso 1 d R .
H9DC H 0.0401(5) 0.4869(3) -0.3918(4) 0.052 Uiso 1 d R .
C10D C 0.0933(5) 0.2199(2) -0.2543(4) 0.0334(8) Uani 1 d . .
C11D C 0.0079(5) 0.1938(2) -0.1783(4) 0.0411(10) Uani 1 d . .
H11J H -0.0544(5) 0.1596(2) -0.2211(4) 0.049 Uiso 1 d R .
H11K H 0.0702(5) 0.1758(2) -0.1054(4) 0.049 Uiso 1 d R .
H11L H -0.0462(5) 0.2293(2) -0.1594(4) 0.049 Uiso 1 d R .
O12D O 0.0762(4) 0.2000(2) -0.3566(3) 0.0506(9) Uani 1 d . .
O13D O 0.2142(3) 0.27186(14) -0.0036(2) 0.0278(5) Uani 1 d . .
N1E N 0.5496(3) 0.4545(2) -0.0368(3) 0.0259(6) Uani 1 d . .
C2E C 0.5959(4) 0.4825(2) -0.1009(3) 0.0271(7) Uani 1 d . .
C3E C 0.6486(6) 0.5178(3) -0.1851(4) 0.0490(12) Uani 1 d . .
H3EC H 0.6800(6) 0.4866(3) -0.2337(4) 0.059 Uiso 1 d R .
H3EA H 0.7256(6) 0.5457(3) -0.1419(4) 0.059 Uiso 1 d R .
H3EB H 0.5763(6) 0.5458(3) -0.2352(4) 0.059 Uiso 1 d R .
N1F N 0.2040(4) 0.2523(2) 0.2598(3) 0.0294(7) Uani 1 d . .
C2F C 0.1714(4) 0.2130(2) 0.3154(3) 0.0268(7) Uani 1 d . .
C3F C 0.1357(5) 0.1619(2) 0.3896(4) 0.0387(10) Uani 1 d . .
H3FA H 0.1973(5) 0.1244(2) 0.3960(4) 0.047 Uiso 1 d R .
H3FB H 0.0399(5) 0.1479(2) 0.3540(4) 0.047 Uiso 1 d R .
H3FC H 0.1450(5) 0.1791(2) 0.4683(4) 0.047 Uiso 1 d R .
N1H N 0.8718(8) 0.3472(4) 0.6066(8) 0.103(3) Uani 1 d . .
C2H C 0.8683(6) 0.3332(4) 0.5103(7) 0.069(2) Uani 1 d . .
C3H C 0.8607(8) 0.3123(5) 0.3935(7) 0.092(3) Uani 1 d . .
H3HC H 0.9413(8) 0.3283(5) 0.3730(7) 0.110 Uiso 1 d R .
H3HD H 0.7777(8) 0.3303(5) 0.3368(7) 0.110 Uiso 1 d R .
H3HB H 0.8579(8) 0.2646(5) 0.3893(7) 0.110 Uiso 1 d R .
N1G N 0.6436(12) 0.2901(7) -0.2558(11) 0.077(2) Uiso 0.50 d PG .
C2G C 0.7432(11) 0.3200(5) -0.2143(9) 0.077(2) Uiso 0.50 d PG .
C3G C 0.8728(14) 0.3569(9) -0.1579(16) 0.077(2) Uiso 0.50 d PG .
N1FA N 0.8921(12) 0.3724(7) -0.1365(13) 0.077(2) Uiso 0.50 d PG .
C2FA C 0.7852(10) 0.3475(5) -0.1730(10) 0.077(2) Uiso 0.50 d PG .
C3FA C 0.6500(12) 0.3135(8) -0.2190(13) 0.077(2) Uiso 0.50 d PG .
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'
N N 0.0061 0.0033 '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'
Rh Rh -1.1178 0.9187 '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
N1A Rh1 N1B 91.39(13) . . ?
N1A Rh1 O13C 176.03(11) . . ?
N1B Rh1 O13C 89.23(11) . . ?
N1A Rh1 O13D 90.47(12) . . ?
N1B Rh1 O13D 172.96(11) . . ?
O13C Rh1 O13D 88.46(11) . . ?
N1A Rh1 N1F 92.11(13) . . ?
N1B Rh1 N1F 94.67(12) . . ?
O13C Rh1 N1F 91.74(11) . . ?
O13D Rh1 N1F 92.04(11) . . ?
N1A Rh1 Rh2 85.41(9) . . ?
N1B Rh1 Rh2 84.24(8) . . ?
O13C Rh1 Rh2 90.76(7) . . ?
O13D Rh1 Rh2 89.14(7) . . ?
N1F Rh1 Rh2 177.26(9) . . ?
N1D Rh2 N1C 92.14(12) . . ?
N1D Rh2 O13B 174.15(12) . . ?
N1C Rh2 O13B 91.81(11) . . ?
N1D Rh2 O13A 88.27(11) . . ?
N1C Rh2 O13A 174.13(11) . . ?
O13B Rh2 O13A 87.37(11) . . ?
N1D Rh2 N1E 91.94(11) . . ?
N1C Rh2 N1E 95.26(12) . . ?
O13B Rh2 N1E 92.00(11) . . ?
O13A Rh2 N1E 90.58(11) . . ?
N1D Rh2 Rh1 86.29(8) . . ?
N1C Rh2 Rh1 84.31(8) . . ?
O13B Rh2 Rh1 89.80(7) . . ?
O13A Rh2 Rh1 89.87(7) . . ?
N1E Rh2 Rh1 178.16(8) . . ?
C2A N1A C5A 111.2(3) . . ?
C2A N1A Rh1 121.8(3) . . ?
C5A N1A Rh1 126.3(2) . . ?
O13A C2A N1A 127.5(3) . . ?
O13A C2A N3A 122.1(3) . . ?
N1A C2A N3A 110.4(3) . . ?
C10A N3A C2A 130.5(3) . . ?
C10A N3A C4A 119.2(3) . . ?
C2A N3A C4A 110.3(3) . . ?
N3A C4A C5A 102.4(3) . . ?
N3A C4A H4AA 110.9(2) . . ?
C5A C4A H4AA 111.0(2) . . ?
N3A C4A H4AB 111.5(2) . . ?
C5A C4A H4AB 111.7(2) . . ?
H4AA C4A H4AB 109.2 . . ?
N1A C5A C6A 112.9(3) . . ?
N1A C5A C4A 105.6(3) . . ?
C6A C5A C4A 108.2(3) . . ?
N1A C5A H5AA 110.2(2) . . ?
C6A C5A H5AA 110.0(2) . . ?
C4A C5A H5AA 109.7(2) . . ?
O7A C6A O8A 124.6(4) . . ?
O7A C6A C5A 125.9(4) . . ?
O8A C6A C5A 109.4(3) . . ?
C6A O8A C9A 117.5(4) . . ?
O8A C9A H9AA 109.9(3) . . ?
O8A C9A H9AB 109.8(3) . . ?
H9AA C9A H9AB 109.5 . . ?
O8A C9A H9AC 108.7(3) . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
O12A C10A N3A 117.6(4) . . ?
O12A C10A C11A 122.4(4) . . ?
N3A C10A C11A 120.0(4) . . ?
C10A C11A H11A 109.5(2) . . ?
C10A C11A H11B 109.6(3) . . ?
H11A C11A H11B 109.5 . . ?
C10A C11A H11C 109.3(3) . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
C2A O13A Rh2 114.3(2) . . ?
C2B N1B C5B 109.8(3) . . ?
C2B N1B Rh1 122.3(2) . . ?
C5B N1B Rh1 127.9(2) . . ?
O13B C2B N1B 126.9(3) . . ?
O13B C2B N3B 120.9(3) . . ?
N1B C2B N3B 112.2(3) . . ?
C10B N3B C2B 130.7(3) . . ?
C10B N3B C4B 120.4(3) . . ?
C2B N3B C4B 108.8(3) . . ?
N3B C4B C5B 102.1(3) . . ?
N3B C4B H4BA 111.6(2) . . ?
C5B C4B H4BA 111.2(2) . . ?
N3B C4B H4BB 111.2(2) . . ?
C5B C4B H4BB 111.4(2) . . ?
H4BA C4B H4BB 109.2 . . ?
N1B C5B C6B 112.0(3) . . ?
N1B C5B C4B 104.2(3) . . ?
C6B C5B C4B 110.4(3) . . ?
N1B C5B H5BA 110.0(2) . . ?
C6B C5B H5BA 110.1(2) . . ?
C4B C5B H5BA 110.0(2) . . ?
O7B C6B O8B 124.0(4) . . ?
O7B C6B C5B 125.2(4) . . ?
O8B C6B C5B 110.7(3) . . ?
C6B O8B C9B 117.2(4) . . ?
O8B C9B H9BA 108.9(3) . . ?
O8B C9B H9BB 109.8(3) . . ?
H9BA C9B H9BB 109.5 . . ?
O8B C9B H9BC 109.6(2) . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
O12B C10B N3B 119.4(4) . . ?
O12B C10B C11B 121.0(4) . . ?
N3B C10B C11B 119.6(3) . . ?
C10B C11B H11D 109.3(2) . . ?
C10B C11B H11E 109.4(3) . . ?
H11D C11B H11E 109.5 . . ?
C10B C11B H11F 109.6(2) . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?
C2B O13B Rh2 114.1(2) . . ?
C2C N1C C5C 110.3(3) . . ?
C2C N1C Rh2 121.9(2) . . ?
C5C N1C Rh2 127.7(2) . . ?
O13C C2C N1C 127.4(3) . . ?
O13C C2C N3C 120.7(3) . . ?
N1C C2C N3C 111.9(3) . . ?
C10C N3C C2C 130.1(3) . . ?
C10C N3C C4C 120.4(3) . . ?
C2C N3C C4C 109.4(3) . . ?
N3C C4C C5C 102.8(3) . . ?
N3C C4C H4CA 111.0(2) . . ?
C5C C4C H4CA 111.3(2) . . ?
N3C C4C H4CB 111.3(2) . . ?
C5C C4C H4CB 111.3(2) . . ?
H4CA C4C H4CB 109.1 . . ?
N1C C5C C6C 111.4(3) . . ?
N1C C5C C4C 105.5(3) . . ?
C6C C5C C4C 110.3(3) . . ?
N1C C5C H5CA 109.9(2) . . ?
C6C C5C H5CA 109.7(2) . . ?
C4C C5C H5CA 109.9(2) . . ?
O7C C6C O8C 123.9(4) . . ?
O7C C6C C5C 124.4(4) . . ?
O8C C6C C5C 111.7(3) . . ?
C6C O8C C9C 116.7(4) . . ?
O8C C9C H9CA 109.4(3) . . ?
O8C C9C H9CB 109.6(3) . . ?
H9CA C9C H9CB 109.5 . . ?
O8C C9C H9CC 109.4(3) . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
O12C C10C N3C 118.0(4) . . ?
O12C C10C C11C 122.3(4) . . ?
N3C C10C C11C 119.7(3) . . ?
C10C C11C H11G 109.7(2) . . ?
C10C C11C H11H 109.6(2) . . ?
H11G C11C H11H 109.5 . . ?
C10C C11C H11I 109.2(2) . . ?
H11G C11C H11I 109.5 . . ?
H11H C11C H11I 109.5 . . ?
C2C O13C Rh1 114.1(2) . . ?
C2D N1D C5D 111.3(3) . . ?
C2D N1D Rh2 122.3(2) . . ?
C5D N1D Rh2 126.0(2) . . ?
O13D C2D N1D 126.5(3) . . ?
O13D C2D N3D 122.8(3) . . ?
N1D C2D N3D 110.6(3) . . ?
C10D N3D C2D 130.8(3) . . ?
C10D N3D C4D 120.0(3) . . ?
C2D N3D C4D 109.2(3) . . ?
N3D C4D C5D 103.0(3) . . ?
N3D C4D H4DA 111.3(2) . . ?
C5D C4D H4DA 111.1(2) . . ?
N3D C4D H4DB 111.2(2) . . ?
C5D C4D H4DB 111.0(2) . . ?
H4DA C4D H4DB 109.1 . . ?
N1D C5D C6D 112.7(3) . . ?
N1D C5D C4D 104.1(3) . . ?
C6D C5D C4D 111.6(3) . . ?
N1D C5D H5DA 109.5(2) . . ?
C6D C5D H5DA 109.4(2) . . ?
C4D C5D H5DA 109.5(2) . . ?
O7D C6D O8D 124.1(4) . . ?
O7D C6D C5D 124.2(3) . . ?
O8D C6D C5D 111.6(3) . . ?
C6D O8D C9D 115.5(3) . . ?
O8D C9D H9DA 109.3(2) . . ?
O8D C9D H9DB 109.1(2) . . ?
H9DA C9D H9DB 109.5 . . ?
O8D C9D H9DC 110.1(2) . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
O12D C10D N3D 118.8(4) . . ?
O12D C10D C11D 121.9(4) . . ?
N3D C10D C11D 119.3(4) . . ?
C10D C11D H11J 109.7(2) . . ?
C10D C11D H11K 109.1(3) . . ?
H11J C11D H11K 109.5 . . ?
C10D C11D H11L 109.6(3) . . ?
H11J C11D H11L 109.5 . . ?
H11K C11D H11L 109.5 . . ?
C2D O13D Rh1 115.1(2) . . ?
C2E N1E Rh2 170.3(3) . . ?
N1E C2E C3E 177.6(4) . . ?
C2E C3E H3EC 109.6(3) . . ?
C2E C3E H3EA 109.2(3) . . ?
H3EC C3E H3EA 109.8 . . ?
C2E C3E H3EB 110.2(3) . . ?
H3EC C3E H3EB 109.9 . . ?
H3EA C3E H3EB 108.1 . . ?
C2F N1F Rh1 168.3(3) . . ?
N1F C2F C3F 177.6(4) . . ?
C2F C3F H3FA 109.6(3) . . ?
C2F C3F H3FB 109.8(2) . . ?
H3FA C3F H3FB 109.5 . . ?
C2F C3F H3FC 110.2(3) . . ?
H3FA C3F H3FC 109.5 . . ?
H3FB C3F H3FC 108.4 . . ?
N1H C2H C3H 176.5(9) . . ?
C2H C3H H3HC 109.7(4) . . ?
C2H C3H H3HD 109.8(5) . . ?
H3HC C3H H3HD 108.2 . . ?
C2H C3H H3HB 109.8(5) . . ?
H3HC C3H H3HB 109.7 . . ?
H3HD C3H H3HB 109.7 . . ?
C3FA N1G C2G 54.2(14) . . ?
C3FA N1G C2FA 43.2(12) . . ?
C2G N1G C2FA 11.0(6) . . ?
C2FA C2G C3FA 119.1(19) . . ?
C2FA C2G N1G 152.6(15) . . ?
C3FA C2G N1G 33.5(12) . . ?
C2FA C2G C3G 27.6(14) . . ?
C3FA C2G C3G 146.6(12) . . ?
N1G C2G C3G 178.14(9) . . ?
C2FA C2G N1FA 20.8(8) . . ?
C3FA C2G N1FA 139.9(14) . . ?
N1G C2G N1FA 173.3(10) . . ?
C3G C2G N1FA 6.8(10) . . ?
C2FA C3G C2G 24.6(12) . . ?
C2FA N1FA C2G 13.9(6) . . ?
C2G C2FA C3G 127.9(24) . . ?
C2G C2FA N1FA 145.3(13) . . ?
C3G C2FA N1FA 17.5(17) . . ?
C2G C2FA C3FA 33.5(12) . . ?
C3G C2FA C3FA 161.2(18) . . ?
N1FA C2FA C3FA 178.13(10) . . ?
C2G C2FA N1G 16.4(9) . . ?
C3G C2FA N1G 144.2(17) . . ?
N1FA C2FA N1G 161.7(8) . . ?
C3FA C2FA N1G 17.1(7) . . ?
N1G C3FA C2G 92.3(20) . . ?
N1G C3FA C2FA 119.7(18) . . ?
C2G C3FA C2FA 27.4(9) . . ?
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
Rh1 N1A 2.007(3) . ?
Rh1 N1B 2.012(3) . ?
Rh1 O13C 2.055(3) . ?
Rh1 O13D 2.111(3) . ?
Rh1 N1F 2.241(3) . ?
Rh1 Rh2 2.4586(3) . ?
Rh2 N1D 2.000(3) . ?
Rh2 N1C 2.016(3) . ?
Rh2 O13B 2.066(2) . ?
Rh2 O13A 2.092(3) . ?
Rh2 N1E 2.199(3) . ?
N1A C2A 1.316(5) . ?
N1A C5A 1.444(5) . ?
C2A O13A 1.260(4) . ?
C2A N3A 1.415(5) . ?
N3A C10A 1.382(5) . ?
N3A C4A 1.448(5) . ?
C4A C5A 1.543(5) . ?
C4A H4AA 0.96 . ?
C4A H4AB 0.96 . ?
C5A C6A 1.512(5) . ?
C5A H5AA 0.96 . ?
C6A O7A 1.191(5) . ?
C6A O8A 1.330(5) . ?
O8A C9A 1.437(5) . ?
C9A H9AA 0.96 . ?
C9A H9AB 0.96 . ?
C9A H9AC 0.96 . ?
C10A O12A 1.225(5) . ?
C10A C11A 1.474(7) . ?
C11A H11A 0.96 . ?
C11A H11B 0.96 . ?
C11A H11C 0.96 . ?
N1B C2B 1.295(5) . ?
N1B C5B 1.476(4) . ?
C2B O13B 1.265(4) . ?
C2B N3B 1.410(4) . ?
N3B C10B 1.367(5) . ?
N3B C4B 1.462(5) . ?
C4B C5B 1.541(5) . ?
C4B H4BA 0.96 . ?
C4B H4BB 0.96 . ?
C5B C6B 1.515(5) . ?
C5B H5BA 0.96 . ?
C6B O7B 1.200(5) . ?
C6B O8B 1.331(5) . ?
O8B C9B 1.433(5) . ?
C9B H9BA 0.96 . ?
C9B H9BB 0.96 . ?
C9B H9BC 0.96 . ?
C10B O12B 1.222(4) . ?
C10B C11B 1.494(6) . ?
C11B H11D 0.96 . ?
C11B H11E 0.96 . ?
C11B H11F 0.96 . ?
N1C C2C 1.315(4) . ?
N1C C5C 1.459(4) . ?
C2C O13C 1.261(4) . ?
C2C N3C 1.409(5) . ?
N3C C10C 1.377(5) . ?
N3C C4C 1.462(5) . ?
C4C C5C 1.544(5) . ?
C4C H4CA 0.96 . ?
C4C H4CB 0.96 . ?
C5C C6C 1.517(5) . ?
C5C H5CA 0.96 . ?
C6C O7C 1.197(5) . ?
C6C O8C 1.334(5) . ?
O8C C9C 1.441(6) . ?
C9C H9CA 0.96 . ?
C9C H9CB 0.96 . ?
C9C H9CC 0.96 . ?
C10C O12C 1.214(5) . ?
C10C C11C 1.496(6) . ?
C11C H11G 0.96 . ?
C11C H11H 0.96 . ?
C11C H11I 0.96 . ?
N1D C2D 1.320(5) . ?
N1D C5D 1.453(4) . ?
C2D O13D 1.264(4) . ?
C2D N3D 1.407(4) . ?
N3D C10D 1.380(5) . ?
N3D C4D 1.455(5) . ?
C4D C5D 1.539(5) . ?
C4D H4DA 0.96 . ?
C4D H4DB 0.96 . ?
C5D C6D 1.520(5) . ?
C5D H5DA 0.96 . ?
C6D O7D 1.199(5) . ?
C6D O8D 1.338(4) . ?
O8D C9D 1.449(5) . ?
C9D H9DA 0.96 . ?
C9D H9DB 0.96 . ?
C9D H9DC 0.96 . ?
C10D O12D 1.221(5) . ?
C10D C11D 1.497(6) . ?
C11D H11J 0.96 . ?
C11D H11K 0.96 . ?
C11D H11L 0.96 . ?
N1E C2E 1.140(5) . ?
C2E C3E 1.434(5) . ?
C3E H3EC 0.96 . ?
C3E H3EA 0.96 . ?
C3E H3EB 0.96 . ?
N1F C2F 1.130(5) . ?
C2F C3F 1.456(5) . ?
C3F H3FA 0.96 . ?
C3F H3FB 0.96 . ?
C3F H3FC 0.96 . ?
N1H C2H 1.150(10) . ?
C2H C3H 1.408(11) . ?
C3H H3HC 0.96 . ?
C3H H3HD 0.96 . ?
C3H H3HB 0.96 . ?
N1G C3FA 0.63(2) . ?
N1G C2G 1.14 . ?
N1G C2FA 1.853(14) . ?
C2G C2FA 0.769(14) . ?
C2G C3FA 0.92(2) . ?
C2G C3G 1.46 . ?
C2G N1FA 1.822(15) . ?
C3G C2FA 0.86(2) . ?
N1FA C2FA 1.14 . ?
C2FA C3FA 1.46 . ?
