#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:00:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179166 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/27/4312778.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_4312778
loop_
_publ_author_name
'Helen T. Chifotides'
'Kemal V. Catalan'
'Kim R. Dunbar'
_publ_section_title
;
 Dirhodium Formamidinate Compounds with Bidentate Nitrogen Chelating
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8739
_journal_page_last               8747
_journal_paper_doi               10.1021/ic034737b
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C49 H53 B2 F8 N9 O Rh2'
_chemical_formula_weight         1163.44
_chemical_name_common            '[Rh2(form)2(bpy)(CH3CN)3][BF4]2.(CH3)2CO'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.0440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.5856(2)
_cell_length_b                   18.0420(2)
_cell_length_c                   21.4791(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5167.27(12)
_computing_cell_refinement       'SAINT (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.880
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '/w scans'
_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  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26852
_diffrn_reflns_theta_full        27.66
_diffrn_reflns_theta_max         27.66
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.713
_exptl_absorpt_correction_T_max  0.8092
_exptl_absorpt_correction_T_min  0.7684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular block'
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.198
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       0.00012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         10600
_refine_ls_number_restraints     164
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.204
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1096
_reflns_number_gt                6770
_reflns_number_total             10600
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034737bsi20030630_121512_1.cif
_cod_data_source_block           C:\Structures\Helen\Kemal\kvc16\Compound2a.CIF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multiscan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4312778
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Rh1 Rh 0.786241(19) 0.665459(13) 0.036696(11) 0.02486(6) Uani 1 1 d . . ..
Rh2 Rh 0.763828(19) 0.771650(13) -0.045132(11) 0.02600(6) Uani 1 1 d . .. .
N3 N 0.8781(2) 0.74750(13) -0.09016(12) 0.0310(7) Uani 1 1 d . . .
N2A N 0.65093(19) 0.80486(14) -0.00229(11) 0.0303(7) Uani 1 1 d . . .
N4 N 0.66581(19) 0.72643(13) -0.11822(11) 0.0301(7) Uani 1 1 d . . .
N1A N 0.70198(19) 0.72995(13) 0.08564(11) 0.0303(7) Uani 1 1 d . . .
N1B N 0.91050(18) 0.72148(13) 0.08497(11) 0.0266(7) Uani 1 1 d . . .
N2 N 0.80012(19) 0.57677(14) 0.10157(11) 0.0312(7) Uani 1 1 d . . .
N1' N 0.85846(19) 0.60218(13) -0.02002(11) 0.0262(7) Uani 1 1 d . . .
N2B N 0.86280(19) 0.82404(13) 0.02099(11) 0.0285(7) Uani 1 1 d . . .
N1 N 0.66701(19) 0.61157(13) -0.01585(11) 0.0289(7) Uani 1 1 d . . .
B1 B 0.7449(3) 0.3459(2) -0.00269(17) 0.0454(12) Uani 0.9739(19) 1 d PDU A -1
B2 B 1.0016(7) 0.9604(5) -0.2314(4) 0.057(5) Uani 0.334(3) 1 d PDU B -1
C10 C 1.0270(3) 0.7394(2) -0.14816(18) 0.0570(12) Uani 1 1 d . . .
H9A H 1.0240 0.7810 -0.1778 0.086 Uiso 1 1 calc R . .
H9B H 1.0245 0.6926 -0.1716 0.086 Uiso 1 1 calc R . .
H9C H 1.0896 0.7420 -0.1168 0.086 Uiso 1 1 calc R . .
C5A C 0.7628(3) 0.7364(2) 0.28690(15) 0.0553(12) Uani 1 1 d . . .
C15A C 0.3643(3) 1.0194(2) -0.12357(17) 0.0519(11) Uani 1 1 d . . .
H15A H 0.3006 1.0128 -0.1092 0.078 Uiso 1 1 calc R . .
H15B H 0.3538 1.0118 -0.1696 0.078 Uiso 1 1 calc R . .
H15C H 0.3895 1.0697 -0.1133 0.078 Uiso 1 1 calc R . .
C4 C 0.5173(3) 0.5323(2) -0.09246(17) 0.0479(11) Uani 1 1 d . . .
H4 H 0.4658 0.5057 -0.1195 0.058 Uiso 1 1 calc R . .
C13A C 0.4147(3) 0.91149(19) -0.04902(16) 0.0440(10) Uani 1 1 d . . .
H13A H 0.3492 0.9125 -0.0395 0.053 Uiso 1 1 calc R . .
C6A C 0.7135(3) 0.6762(2) 0.25439(16) 0.0516(11) Uani 1 1 d . . .
H5A H 0.6948 0.6359 0.2780 0.062 Uiso 1 1 calc R . .
C11A C 0.5354(3) 0.96113(19) -0.10225(16) 0.0439(10) Uani 1 1 d . . .
H11A H 0.5547 0.9955 -0.1312 0.053 Uiso 1 1 calc R . .
C12 C 0.5544(3) 0.6746(2) -0.22177(18) 0.0610(13) Uani 1 1 d . . .
H12A H 0.5284 0.7158 -0.2499 0.091 Uiso 1 1 calc R . .
H12C H 0.4984 0.6465 -0.2110 0.091 Uiso 1 1 calc R . .
H12B H 0.5950 0.6420 -0.2433 0.091 Uiso 1 1 calc R . .
C2A C 0.7185(2) 0.73275(18) 0.15385(14) 0.0314(8) Uani 1 1 d . . .
C8 C 0.8071(3) 0.4688(2) 0.18147(17) 0.0624(13) Uani 1 1 d . . .
H8C H 0.8746 0.4473 0.1898 0.094 Uiso 1 1 calc R . .
H8B H 0.7580 0.4304 0.1648 0.094 Uiso 1 1 calc R . .
H8A H 0.7918 0.4886 0.2210 0.094 Uiso 1 1 calc R . .
C5 C 0.4938(3) 0.5806(2) -0.04889(17) 0.0452(10) Uani 1 1 d . . .
H5 H 0.4261 0.5871 -0.0444 0.054 Uiso 1 1 calc R . .
C7A C 0.6906(2) 0.67319(19) 0.18870(15) 0.0399(10) Uani 1 1 d . . .
H6A H 0.6567 0.6315 0.1677 0.048 Uiso 1 1 calc R . .
C4' C 0.9374(3) 0.51698(18) -0.10516(15) 0.0408(10) Uani 1 1 d . . .
H4' H 0.9647 0.4876 -0.1344 0.049 Uiso 1 1 calc R . .
C3A C 0.7622(3) 0.79350(19) 0.18607(16) 0.0416(10) Uani 1 1 d . . .
H3A H 0.7779 0.8353 0.1629 0.050 Uiso 1 1 calc R . .
C10A C 0.6051(3) 0.90936(19) -0.07262(15) 0.0406(10) Uani 1 1 d . . .
H10A H 0.6715 0.9099 -0.0805 0.049 Uiso 1 1 calc R . .
C14A C 0.4806(3) 0.85865(18) -0.02119(16) 0.0404(10) Uani 1 1 d . . .
H16A H 0.4596 0.8225 0.0057 0.048 Uiso 1 1 calc R . .
C4A C 0.7837(3) 0.7953(2) 0.25133(16) 0.0471(11) Uani 1 1 d . . .
H4A H 0.8139 0.8384 0.2722 0.057 Uiso 1 1 calc R . .
C7 C 0.8024(3) 0.52813(18) 0.13533(15) 0.0357(9) Uani 1 1 d . . .
C3B C 1.0864(2) 0.69424(17) 0.12807(15) 0.0325(9) Uani 1 1 d . . .
H3B H 1.1037 0.7148 0.0909 0.039 Uiso 1 1 calc R . .
C6B C 1.0387(3) 0.63434(18) 0.23652(14) 0.0359(9) Uani 1 1 d . . .
H6B H 1.0212 0.6131 0.2734 0.043 Uiso 1 1 calc R . .
C9 C 0.9431(3) 0.74334(17) -0.11639(15) 0.0352(9) Uani 1 1 d . . .
C12A C 0.4398(3) 0.96369(18) -0.09063(15) 0.0383(10) Uani 1 1 d . . .
C3' C 0.8360(3) 0.51599(17) -0.10598(15) 0.0360(9) Uani 1 1 d . . .
H3' H 0.7929 0.4860 -0.1358 0.043 Uiso 1 1 calc R . .
C9A C 0.5781(2) 0.85752(16) -0.03205(14) 0.0307(9) Uani 1 1 d . . .
C2B C 0.9866(2) 0.69201(16) 0.13428(14) 0.0281(8) Uani 1 1 d . . .
C5B C 1.1393(3) 0.63654(18) 0.23112(15) 0.0363(9) Uani 1 1 d . . .
C11 C 0.6171(3) 0.70407(18) -0.16333(16) 0.0368(9) Uani 1 1 d . . .
C3 C 0.6164(3) 0.52226(18) -0.09714(15) 0.0369(10) Uani 1 1 d . . .
H3 H 0.6336 0.4872 -0.1263 0.044 Uiso 1 1 calc R . .
C2 C 0.6899(2) 0.56282(16) -0.05969(14) 0.0298(8) Uani 1 1 d . . .
C5' C 0.9992(2) 0.56051(17) -0.06194(15) 0.0333(9) Uani 1 1 d . . .
H5' H 1.0695 0.5615 -0.0607 0.040 Uiso 1 1 calc R . .
C6 C 0.5704(2) 0.62009(19) -0.01114(16) 0.0378(9) Uani 1 1 d . . .
H6 H 0.5540 0.6542 0.0190 0.045 Uiso 1 1 calc R . .
C4B C 1.1618(2) 0.66648(17) 0.17621(15) 0.0337(9) Uani 1 1 d . . .
H4B H 1.2296 0.6683 0.1710 0.040 Uiso 1 1 calc R . .
C6' C 0.9568(2) 0.60293(16) -0.02021(14) 0.0287(8) Uani 1 1 d . . .
H6' H 0.9992 0.6337 0.0094 0.034 Uiso 1 1 calc R . .
C7B C 0.9644(2) 0.66197(16) 0.19005(14) 0.0300(8) Uani 1 1 d . . .
H7B H 0.8968 0.6607 0.1958 0.036 Uiso 1 1 calc R . .
C8A C 0.7949(4) 0.7358(3) 0.35853(17) 0.0900(18) Uani 1 1 d . . .
H8AC H 0.7731 0.6894 0.3754 0.135 Uiso 1 1 calc R . .
H8AA H 0.7642 0.7779 0.3765 0.135 Uiso 1 1 calc R . .
H8AB H 0.8681 0.7397 0.3699 0.135 Uiso 1 1 calc R . .
C8B C 1.2214(3) 0.6061(2) 0.28207(16) 0.0568(12) Uani 1 1 d . . .
H8BC H 1.1921 0.5872 0.3172 0.085 Uiso 1 1 calc R . .
H8BA H 1.2695 0.6455 0.2976 0.085 Uiso 1 1 calc R . .
H8BB H 1.2559 0.5657 0.2645 0.085 Uiso 1 1 calc R . .
C13B C 0.8625(3) 1.02666(19) 0.05155(17) 0.0444(10) Uani 1 1 d . . .
H37A H 0.8603 1.0595 0.0858 0.053 Uiso 1 1 calc R . .
C10B C 0.8738(2) 0.93062(18) -0.04620(15) 0.0366(9) Uani 1 1 d . . .
H38A H 0.8798 0.8977 -0.0798 0.044 Uiso 1 1 calc R . .
C12B C 0.8632(3) 1.05550(18) -0.00823(18) 0.0451(11) Uani 1 1 d . . .
C1A C 0.6505(2) 0.78591(17) 0.05649(14) 0.0322(9) Uani 1 1 d . . .
H1A H 0.6106 0.8143 0.0795 0.039 Uiso 1 1 calc R . .
C14B C 0.8649(2) 0.95121(17) 0.06212(16) 0.0356(9) Uani 1 1 d . . .
H41A H 0.8642 0.9326 0.1034 0.043 Uiso 1 1 calc R . .
C11B C 0.8706(2) 1.00703(18) -0.05685(17) 0.0399(10) Uani 1 1 d . . .
H42A H 0.8735 1.0258 -0.0978 0.048 Uiso 1 1 calc R . .
C15B C 0.8603(3) 1.13904(19) -0.0189(2) 0.0664(14) Uani 1 1 d . . .
H15F H 0.8555 1.1643 0.0208 0.100 Uiso 1 1 calc R . .
H15D H 0.8019 1.1518 -0.0515 0.100 Uiso 1 1 calc R . .
H15E H 0.9216 1.1548 -0.0328 0.100 Uiso 1 1 calc R . .
C1B C 0.9194(2) 0.79175(16) 0.07010(14) 0.0273(8) Uani 1 1 d . . .
H1B H 0.9694 0.8207 0.0963 0.033 Uiso 1 1 calc R . .
C2' C 0.7966(2) 0.55949(16) -0.06261(13) 0.0270(8) Uani 1 1 d . . .
C9B C 0.8684(2) 0.90254(16) 0.01285(15) 0.0288(8) Uani 1 1 d . . .
C1S C 1.1009(4) 0.3603(4) 0.2938(3) 0.123(2) Uani 1 1 d . . .
C2S C 1.2024(5) 0.3635(4) 0.2796(4) 0.186(4) Uani 1 1 d . . .
H2SA H 1.2043 0.4006 0.2465 0.280 Uiso 1 1 calc R . .
H2SC H 1.2202 0.3149 0.2647 0.280 Uiso 1 1 calc R . .
H2SB H 1.2503 0.3772 0.3180 0.280 Uiso 1 1 calc R . .
C3S C 1.0766(7) 0.3031(6) 0.3380(4) 0.294(6) Uani 1 1 d . . .
H3SC H 1.0060 0.3076 0.3415 0.442 Uiso 1 1 calc R . .
H3SA H 1.1192 0.3101 0.3799 0.442 Uiso 1 1 calc R . .
H3SB H 1.0885 0.2538 0.3219 0.442 Uiso 1 1 calc R . .
F9 F 0.9524(8) 1.0147(5) -0.2059(4) 0.145(4) Uani 0.334(3) 1 d PD B -1
F5 F 0.9922(8) 0.9235(4) -0.2886(4) 0.138(4) Uani 0.334(3) 1 d PDU B -1
F7 F 1.0854(7) 1.0042(6) -0.2191(4) 0.135(5) Uani 0.334(3) 1 d PDU B -1
F6 F 0.9979(6) 0.9110(4) -0.1826(3) 0.067(3) Uani 0.334(3) 1 d PDU B -1
F2 F 0.66514(18) 0.29955(13) -0.00266(11) 0.0743(8) Uani 0.9739(19) 1 d PDU A
-1
F4 F 0.74337(18) 0.40059(13) 0.04183(12) 0.0826(8) Uani 0.9739(19) 1 d PDU A -1
F3 F 0.83374(17) 0.30691(12) 0.01339(11) 0.0628(7) Uani 0.9739(19) 1 d PDU A -1
F1 F 0.7371(2) 0.37636(15) -0.06122(11) 0.0974(9) Uani 0.9739(19) 1 d PDU A -1
O1S O 1.0386(3) 0.3999(2) 0.26258(19) 0.1250(15) Uani 1 1 d . . .
F9B F 0.9174(3) 1.0093(2) -0.2387(2) 0.0857(15) Uani 0.666(3) 1 d P B -2
F6B F 1.0230(5) 0.9170(3) -0.1857(2) 0.113(2) Uani 0.666(3) 1 d PDU B -2
F7B F 1.0798(3) 0.9951(3) -0.2486(2) 0.1023(18) Uani 0.666(3) 1 d PDU B -2
B2B B 0.9943(7) 0.9645(5) -0.2364(4) 0.086(4) Uani 0.666(3) 1 d PDU B -2
F5B F 0.9577(5) 0.9193(3) -0.2869(2) 0.134(3) Uani 0.666(3) 1 d PDU B -2
F3B F 0.7995(8) 0.3955(8) -0.0253(6) 0.096(4) Uani 0.0261(19) 1 d PDU A -2
F4B F 0.7468(13) 0.3713(9) 0.0649(4) 0.080(4) Uani 0.0261(19) 1 d PDU A -2
F2B F 0.6390(7) 0.3661(9) -0.0278(8) 0.087(3) Uani 0.0261(19) 1 d PDU A -2
F1B F 0.7593(13) 0.2808(4) -0.0040(10) 0.070(3) Uani 0.0261(19) 1 d PDU A -2
B1B B 0.7360(8) 0.3526(5) 0.0021(5) 0.045(9) Uani 0.0261(19) 1 d PDU 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 0.0033 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'
B B 0.0013 0.0007 '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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 N1' 79.93(10) . . ?
N1 Rh1 N1A 95.27(10) . . ?
N1' Rh1 N1A 174.10(9) . . ?
N1 Rh1 N1B 176.48(10) . . ?
N1' Rh1 N1B 97.61(10) . . ?
N1A Rh1 N1B 87.02(10) . . ?
N1 Rh1 N2 87.99(9) . . ?
N1' Rh1 N2 88.72(9) . . ?
N1A Rh1 N2 94.57(10) . . ?
N1B Rh1 N2 94.51(9) . . ?
N1 Rh1 Rh2 89.97(7) . . ?
N1' Rh1 Rh2 90.93(6) . . ?
N1A Rh1 Rh2 85.61(7) . . ?
N1B Rh1 Rh2 87.54(6) . . ?
N2 Rh1 Rh2 177.95(7) . . ?
N2B Rh2 N2A 90.12(10) . . ?
N2B Rh2 N4 174.36(10) . . ?
N2A Rh2 N4 91.64(10) . . ?
N2B Rh2 N3 88.18(10) . . ?
N2A Rh2 N3 175.13(10) . . ?
N4 Rh2 N3 89.63(10) . . ?
N2B Rh2 Rh1 83.76(7) . . ?
N2A Rh2 Rh1 84.89(7) . . ?
N4 Rh2 Rh1 101.73(7) . . ?
N3 Rh2 Rh1 99.45(7) . . ?
C9 N3 Rh2 171.4(2) . . ?
C1A N2A C9A 118.3(3) . . ?
C1A N2A Rh2 120.3(2) . . ?
C9A N2A Rh2 120.8(2) . . ?
C11 N4 Rh2 172.7(3) . . ?
C1A N1A C2A 115.0(3) . . ?
C1A N1A Rh1 119.2(2) . . ?
C2A N1A Rh1 123.12(19) . . ?
C1B N1B C2B 116.7(2) . . ?
C1B N1B Rh1 116.89(19) . . ?
C2B N1B Rh1 126.40(19) . . ?
C7 N2 Rh1 176.4(3) . . ?
C6' N1' C2' 119.6(3) . . ?
C6' N1' Rh1 126.0(2) . . ?
C2' N1' Rh1 114.3(2) . . ?
C1B N2B C9B 120.0(2) . . ?
C1B N2B Rh2 124.8(2) . . ?
C9B N2B Rh2 115.21(18) . . ?
C6 N1 C2 118.7(3) . . ?
C6 N1 Rh1 126.0(2) . . ?
C2 N1 Rh1 115.3(2) . . ?
F1 B1 F2 109.1(3) . . ?
F1 B1 F4 110.1(3) . . ?
F2 B1 F4 108.7(3) . . ?
F1 B1 F3 110.3(3) . . ?
F2 B1 F3 110.0(3) . . ?
F4 B1 F3 108.7(3) . . ?
F9 B2 F7 87.8(8) . . ?
F9 B2 F5 137.5(9) . . ?
F7 B2 F5 112.5(8) . . ?
F9 B2 F6 93.8(7) . . ?
F7 B2 F6 112.0(7) . . ?
F5 B2 F6 110.7(7) . . ?
C9 C10 H9A 109.5 . . ?
C9 C10 H9B 109.5 . . ?
H9A C10 H9B 109.5 . . ?
C9 C10 H9C 109.5 . . ?
H9A C10 H9C 109.5 . . ?
H9B C10 H9C 109.5 . . ?
C4A C5A C6A 117.2(3) . . ?
C4A C5A C8A 121.4(4) . . ?
C6A C5A C8A 121.4(4) . . ?
C12A C15A H15A 109.5 . . ?
C12A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C12A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C14A C13A C12A 122.3(3) . . ?
C14A C13A H13A 118.8 . . ?
C12A C13A H13A 118.8 . . ?
C5A C6A C7A 122.3(3) . . ?
C5A C6A H5A 118.9 . . ?
C7A C6A H5A 118.9 . . ?
C12A C11A C10A 121.6(3) . . ?
C12A C11A H11A 119.2 . . ?
C10A C11A H11A 119.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12C C12 H12B 109.5 . . ?
C3A C2A C7A 118.6(3) . . ?
C3A C2A N1A 120.7(3) . . ?
C7A C2A N1A 120.7(3) . . ?
C7 C8 H8C 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8C C8 H8B 109.5 . . ?
C7 C8 H8A 109.5 . . ?
H8C C8 H8A 109.5 . . ?
H8B C8 H8A 109.5 . . ?
C4 C5 C6 118.9(3) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C6A C7A C2A 118.8(3) . . ?
C6A C7A H6A 120.6 . . ?
C2A C7A H6A 120.6 . . ?
C5' C4' C3' 119.9(3) . . ?
C5' C4' H4' 120.1 . . ?
C3' C4' H4' 120.1 . . ?
C4A C3A C2A 121.4(3) . . ?
C4A C3A H3A 119.3 . . ?
C2A C3A H3A 119.3 . . ?
C9A C10A C11A 120.3(3) . . ?
C9A C10A H10A 119.8 . . ?
C11A C10A H10A 119.8 . . ?
C13A C14A C9A 120.3(3) . . ?
C13A C14A H16A 119.9 . . ?
C9A C14A H16A 119.9 . . ?
C5A C4A C3A 121.6(3) . . ?
C5A C4A H4A 119.2 . . ?
C3A C4A H4A 119.2 . . ?
N2 C7 C8 176.8(3) . . ?
C2B C3B C4B 120.5(3) . . ?
C2B C3B H3B 119.7 . . ?
C4B C3B H3B 119.7 . . ?
C7B C6B C5B 121.7(3) . . ?
C7B C6B H6B 119.1 . . ?
C5B C6B H6B 119.1 . . ?
N3 C9 C10 178.3(4) . . ?
C11A C12A C13A 117.0(3) . . ?
C11A C12A C15A 121.3(3) . . ?
C13A C12A C15A 121.6(3) . . ?
C4' C3' C2' 119.6(3) . . ?
C4' C3' H3' 120.2 . . ?
C2' C3' H3' 120.2 . . ?
C10A C9A C14A 118.3(3) . . ?
C10A C9A N2A 119.3(3) . . ?
C14A C9A N2A 122.3(3) . . ?
C3B C2B C7B 118.0(3) . . ?
C3B C2B N1B 119.9(3) . . ?
C7B C2B N1B 122.2(3) . . ?
C4B C5B C6B 117.5(3) . . ?
C4B C5B C8B 120.5(3) . . ?
C6B C5B C8B 122.0(3) . . ?
N4 C11 C12 179.6(4) . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
N1 C2 C3 120.8(3) . . ?
N1 C2 C2' 114.5(3) . . ?
C3 C2 C2' 124.7(3) . . ?
C4' C5' C6' 118.5(3) . . ?
C4' C5' H5' 120.8 . . ?
C6' C5' H5' 120.8 . . ?
N1 C6 C5 122.1(3) . . ?
N1 C6 H6 119.0 . . ?
C5 C6 H6 119.0 . . ?
C5B C4B C3B 121.3(3) . . ?
C5B C4B H4B 119.4 . . ?
C3B C4B H4B 119.4 . . ?
N1' C6' C5' 122.4(3) . . ?
N1' C6' H6' 118.8 . . ?
C5' C6' H6' 118.8 . . ?
C6B C7B C2B 121.0(3) . . ?
C6B C7B H7B 119.5 . . ?
C2B C7B H7B 119.5 . . ?
C5A C8A H8AC 109.5 . . ?
C5A C8A H8AA 109.5 . . ?
H8AC C8A H8AA 109.5 . . ?
C5A C8A H8AB 109.5 . . ?
H8AC C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C5B C8B H8BC 109.5 . . ?
C5B C8B H8BA 109.5 . . ?
H8BC C8B H8BA 109.5 . . ?
C5B C8B H8BB 109.5 . . ?
H8BC C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C14B C13B C12B 121.2(3) . . ?
C14B C13B H37A 119.4 . . ?
C12B C13B H37A 119.4 . . ?
C9B C10B C11B 120.5(3) . . ?
C9B C10B H38A 119.8 . . ?
C11B C10B H38A 119.8 . . ?
C13B C12B C11B 118.5(3) . . ?
C13B C12B C15B 120.4(3) . . ?
C11B C12B C15B 121.1(4) . . ?
N2A C1A N1A 124.0(3) . . ?
N2A C1A H1A 118.0 . . ?
N1A C1A H1A 118.0 . . ?
C13B C14B C9B 120.3(3) . . ?
C13B C14B H41A 119.9 . . ?
C9B C14B H41A 119.9 . . ?
C12B C11B C10B 120.4(3) . . ?
C12B C11B H42A 119.8 . . ?
C10B C11B H42A 119.8 . . ?
C12B C15B H15F 109.5 . . ?
C12B C15B H15D 109.5 . . ?
H15F C15B H15D 109.5 . . ?
C12B C15B H15E 109.5 . . ?
H15F C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
N1B C1B N2B 123.6(3) . . ?
N1B C1B H1B 118.2 . . ?
N2B C1B H1B 118.2 . . ?
N1' C2' C3' 120.0(3) . . ?
N1' C2' C2 116.0(3) . . ?
C3' C2' C2 124.0(3) . . ?
C10B C9B C14B 119.0(3) . . ?
C10B C9B N2B 119.3(3) . . ?
C14B C9B N2B 121.7(3) . . ?
O1S C1S C3S 123.3(6) . . ?
O1S C1S C2S 116.6(6) . . ?
C3S C1S C2S 119.6(6) . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
H2SC C2S H2SB 109.5 . . ?
C1S C3S H3SC 109.5 . . ?
C1S C3S H3SA 109.5 . . ?
H3SC C3S H3SA 109.5 . . ?
C1S C3S H3SB 109.5 . . ?
H3SC C3S H3SB 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
F9B B2B F7B 116.5(6) . . ?
F9B B2B F5B 99.8(6) . . ?
F7B B2B F5B 106.5(7) . . ?
F9B B2B F6B 120.9(7) . . ?
F7B B2B F6B 106.4(7) . . ?
F5B B2B F6B 105.0(6) . . ?
F1B B1B F2B 110.4(10) . . ?
F1B B1B F4B 110.5(10) . . ?
F2B B1B F4B 109.2(10) . . ?
F1B B1B F3B 108.9(11) . . ?
F2B B1B F3B 109.0(9) . . ?
F4B B1B F3B 108.9(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 N1 2.035(2) . ?
Rh1 N1' 2.051(2) . ?
Rh1 N1A 2.057(3) . ?
Rh1 N1B 2.068(2) . ?
Rh1 N2 2.107(3) . ?
Rh1 Rh2 2.5783(3) . ?
Rh2 N2B 1.997(2) . ?
Rh2 N2A 2.025(3) . ?
Rh2 N4 2.025(2) . ?
Rh2 N3 2.028(3) . ?
N3 C9 1.137(4) . ?
N2A C1A 1.309(4) . ?
N2A C9A 1.431(4) . ?
N4 C11 1.137(4) . ?
N1A C1A 1.316(4) . ?
N1A C2A 1.440(4) . ?
N1B C1B 1.319(4) . ?
N1B C2B 1.433(4) . ?
N2 C7 1.135(4) . ?
N1' C6' 1.337(4) . ?
N1' C2' 1.357(4) . ?
N2B C1B 1.316(4) . ?
N2B C9B 1.431(4) . ?
N1 C6 1.344(4) . ?
N1 C2 1.367(4) . ?
B1 F1 1.358(4) . ?
B1 F2 1.369(4) . ?
B1 F4 1.377(4) . ?
B1 F3 1.382(4) . ?
B2 F9 1.359(12) . ?
B2 F7 1.369(10) . ?
B2 F5 1.382(9) . ?
B2 F6 1.385(9) . ?
C10 C9 1.438(5) . ?
C10 H9A 0.9800 . ?
C10 H9B 0.9800 . ?
C10 H9C 0.9800 . ?
C5A C4A 1.370(5) . ?
C5A C6A 1.391(5) . ?
C5A C8A 1.517(5) . ?
C15A C12A 1.512(5) . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C4 C5 1.360(5) . ?
C4 C3 1.382(5) . ?
C4 H4 0.9500 . ?
C13A C14A 1.365(5) . ?
C13A C12A 1.385(5) . ?
C13A H13A 0.9500 . ?
C6A C7A 1.387(5) . ?
C6A H5A 0.9500 . ?
C11A C12A 1.369(5) . ?
C11A C10A 1.394(5) . ?
C11A H11A 0.9500 . ?
C12 C11 1.474(5) . ?
C12 H12A 0.9800 . ?
C12 H12C 0.9800 . ?
C12 H12B 0.9800 . ?
C2A C3A 1.369(4) . ?
C2A C7A 1.403(4) . ?
C8 C7 1.452(5) . ?
C8 H8C 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8A 0.9800 . ?
C5 C6 1.387(5) . ?
C5 H5 0.9500 . ?
C7A H6A 0.9500 . ?
C4' C5' 1.373(4) . ?
C4' C3' 1.375(5) . ?
C4' H4' 0.9500 . ?
C3A C4A 1.377(5) . ?
C3A H3A 0.9500 . ?
C10A C9A 1.375(4) . ?
C10A H10A 0.9500 . ?
C14A C9A 1.389(5) . ?
C14A H16A 0.9500 . ?
C4A H4A 0.9500 . ?
C3B C2B 1.387(5) . ?
C3B C4B 1.401(4) . ?
C3B H3B 0.9500 . ?
C6B C7B 1.371(4) . ?
C6B C5B 1.395(5) . ?
C6B H6B 0.9500 . ?
C3' C2' 1.400(4) . ?
C3' H3' 0.9500 . ?
C2B C7B 1.400(4) . ?
C5B C4B 1.383(5) . ?
C5B C8B 1.508(5) . ?
C3 C2 1.368(4) . ?
C3 H3 0.9500 . ?
C2 C2' 1.464(4) . ?
C5' C6' 1.385(4) . ?
C5' H5' 0.9500 . ?
C6 H6 0.9500 . ?
C4B H4B 0.9500 . ?
C6' H6' 0.9500 . ?
C7B H7B 0.9500 . ?
C8A H8AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8B H8BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C13B C14B 1.379(4) . ?
C13B C12B 1.387(5) . ?
C13B H37A 0.9500 . ?
C10B C9B 1.381(4) . ?
C10B C11B 1.397(4) . ?
C10B H38A 0.9500 . ?
C12B C11B 1.380(5) . ?
C12B C15B 1.524(5) . ?
C1A H1A 0.9500 . ?
C14B C9B 1.383(4) . ?
C14B H41A 0.9500 . ?
C11B H42A 0.9500 . ?
C15B H15F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C1B H1B 0.9500 . ?
C1S O1S 1.207(6) . ?
C1S C3S 1.482(11) . ?
C1S C2S 1.469(9) . ?
C2S H2SA 0.9800 . ?
C2S H2SC 0.9800 . ?
C2S H2SB 0.9800 . ?
C3S H3SC 0.9800 . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
F9B B2B 1.315(10) . ?
F6B B2B 1.381(8) . ?
F7B B2B 1.356(8) . ?
B2B F5B 1.371(8) . ?
F3B B1B 1.373(11) . ?
F4B B1B 1.373(11) . ?
F2B B1B 1.373(11) . ?
F1B B1B 1.345(7) . ?
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
N1 Rh1 Rh2 N2B 169.20(10) . . . . ?
N1' Rh1 Rh2 N2B -110.87(10) . . . . ?
N1A Rh1 Rh2 N2B 73.91(10) . . . . ?
N1B Rh1 Rh2 N2B -13.29(10) . . . . ?
N2 Rh1 Rh2 N2B 169(2) . . . . ?
N1 Rh1 Rh2 N2A 78.51(10) . . . . ?
N1' Rh1 Rh2 N2A 158.44(10) . . . . ?
N1A Rh1 Rh2 N2A -16.78(10) . . . . ?
N1B Rh1 Rh2 N2A -103.98(10) . . . . ?
N2 Rh1 Rh2 N2A 78(2) . . . . ?
N1 Rh1 Rh2 N4 -12.11(10) . . . . ?
N1' Rh1 Rh2 N4 67.82(10) . . . . ?
N1A Rh1 Rh2 N4 -107.40(10) . . . . ?
N1B Rh1 Rh2 N4 165.40(10) . . . . ?
N2 Rh1 Rh2 N4 -12(2) . . . . ?
N1 Rh1 Rh2 N3 -103.71(10) . . . . ?
N1' Rh1 Rh2 N3 -23.78(10) . . . . ?
N1A Rh1 Rh2 N3 161.00(10) . . . . ?
N1B Rh1 Rh2 N3 73.80(10) . . . . ?
N2 Rh1 Rh2 N3 -104(2) . . . . ?
N2B Rh2 N3 C9 -64.1(17) . . . . ?
N2A Rh2 N3 C9 5(2) . . . . ?
N4 Rh2 N3 C9 110.7(17) . . . . ?
Rh1 Rh2 N3 C9 -147.5(17) . . . . ?
N2B Rh2 N2A C1A -59.6(2) . . . . ?
N4 Rh2 N2A C1A 125.8(2) . . . . ?
N3 Rh2 N2A C1A -129.1(11) . . . . ?
Rh1 Rh2 N2A C1A 24.1(2) . . . . ?
N2B Rh2 N2A C9A 111.6(2) . . . . ?
N4 Rh2 N2A C9A -63.0(2) . . . . ?
N3 Rh2 N2A C9A 42.1(12) . . . . ?
Rh1 Rh2 N2A C9A -164.7(2) . . . . ?
N2B Rh2 N4 C11 31(3) . . . . ?
N2A Rh2 N4 C11 139(2) . . . . ?
N3 Rh2 N4 C11 -36(2) . . . . ?
Rh1 Rh2 N4 C11 -136(2) . . . . ?
N1 Rh1 N1A C1A -74.2(2) . . . . ?
N1' Rh1 N1A C1A -38.8(11) . . . . ?
N1B Rh1 N1A C1A 103.1(2) . . . . ?
N2 Rh1 N1A C1A -162.6(2) . . . . ?
Rh2 Rh1 N1A C1A 15.3(2) . . . . ?
N1 Rh1 N1A C2A 125.4(2) . . . . ?
N1' Rh1 N1A C2A 160.8(9) . . . . ?
N1B Rh1 N1A C2A -57.3(2) . . . . ?
N2 Rh1 N1A C2A 37.0(2) . . . . ?
Rh2 Rh1 N1A C2A -145.0(2) . . . . ?
N1 Rh1 N1B C1B 61.2(16) . . . . ?
N1' Rh1 N1B C1B 106.8(2) . . . . ?
N1A Rh1 N1B C1B -69.6(2) . . . . ?
N2 Rh1 N1B C1B -163.9(2) . . . . ?
Rh2 Rh1 N1B C1B 16.2(2) . . . . ?
N1 Rh1 N1B C2B -120.7(15) . . . . ?
N1' Rh1 N1B C2B -75.1(2) . . . . ?
N1A Rh1 N1B C2B 108.6(2) . . . . ?
N2 Rh1 N1B C2B 14.2(2) . . . . ?
Rh2 Rh1 N1B C2B -165.7(2) . . . . ?
N1 Rh1 N2 C7 -23(4) . . . . ?
N1' Rh1 N2 C7 -103(4) . . . . ?
N1A Rh1 N2 C7 73(4) . . . . ?
N1B Rh1 N2 C7 160(4) . . . . ?
Rh2 Rh1 N2 C7 -22(6) . . . . ?
N1 Rh1 N1' C6' 177.6(2) . . . . ?
N1A Rh1 N1' C6' 141.7(9) . . . . ?
N1B Rh1 N1' C6' 0.1(2) . . . . ?
N2 Rh1 N1' C6' -94.2(2) . . . . ?
Rh2 Rh1 N1' C6' 87.8(2) . . . . ?
N1 Rh1 N1' C2' 1.15(19) . . . . ?
N1A Rh1 N1' C2' -34.7(10) . . . . ?
N1B Rh1 N1' C2' -176.30(19) . . . . ?
N2 Rh1 N1' C2' 89.3(2) . . . . ?
Rh2 Rh1 N1' C2' -88.65(19) . . . . ?
N2A Rh2 N2B C1B 100.0(3) . . . . ?
N4 Rh2 N2B C1B -151.8(10) . . . . ?
N3 Rh2 N2B C1B -84.6(3) . . . . ?
Rh1 Rh2 N2B C1B 15.2(2) . . . . ?
N2A Rh2 N2B C9B -78.8(2) . . . . ?
N4 Rh2 N2B C9B 29.5(12) . . . . ?
N3 Rh2 N2B C9B 96.7(2) . . . . ?
Rh1 Rh2 N2B C9B -163.6(2) . . . . ?
N1' Rh1 N1 C6 -179.3(3) . . . . ?
N1A Rh1 N1 C6 -2.8(3) . . . . ?
N1B Rh1 N1 C6 -133.3(15) . . . . ?
N2 Rh1 N1 C6 91.6(3) . . . . ?
Rh2 Rh1 N1 C6 -88.4(2) . . . . ?
N1' Rh1 N1 C2 0.4(2) . . . . ?
N1A Rh1 N1 C2 177.0(2) . . . . ?
N1B Rh1 N1 C2 46.4(16) . . . . ?
N2 Rh1 N1 C2 -88.6(2) . . . . ?
Rh2 Rh1 N1 C2 91.4(2) . . . . ?
C4A C5A C6A C7A 3.4(6) . . . . ?
C8A C5A C6A C7A -174.8(4) . . . . ?
C1A N1A C2A C3A -54.8(4) . . . . ?
Rh1 N1A C2A C3A 106.3(3) . . . . ?
C1A N1A C2A C7A 125.5(3) . . . . ?
Rh1 N1A C2A C7A -73.4(3) . . . . ?
C3 C4 C5 C6 1.6(5) . . . . ?
C5A C6A C7A C2A 0.2(5) . . . . ?
C3A C2A C7A C6A -3.6(5) . . . . ?
N1A C2A C7A C6A 176.1(3) . . . . ?
C7A C2A C3A C4A 3.5(5) . . . . ?
N1A C2A C3A C4A -176.2(3) . . . . ?
C12A C11A C10A C9A 2.1(5) . . . . ?
C12A C13A C14A C9A 2.6(5) . . . . ?
C6A C5A C4A C3A -3.6(5) . . . . ?
C8A C5A C4A C3A 174.6(4) . . . . ?
C2A C3A C4A C5A 0.2(5) . . . . ?
Rh1 N2 C7 C8 -122(6) . . . . ?
Rh2 N3 C9 C10 59(14) . . . . ?
C10A C11A C12A C13A -1.3(5) . . . . ?
C10A C11A C12A C15A -179.2(3) . . . . ?
C14A C13A C12A C11A -1.1(5) . . . . ?
C14A C13A C12A C15A 176.9(3) . . . . ?
C5' C4' C3' C2' 0.0(5) . . . . ?
C11A C10A C9A C14A -0.5(5) . . . . ?
C11A C10A C9A N2A 179.9(3) . . . . ?
C13A C14A C9A C10A -1.8(5) . . . . ?
C13A C14A C9A N2A 177.8(3) . . . . ?
C1A N2A C9A C10A 142.3(3) . . . . ?
Rh2 N2A C9A C10A -29.1(4) . . . . ?
C1A N2A C9A C14A -37.3(4) . . . . ?
Rh2 N2A C9A C14A 151.4(3) . . . . ?
C4B C3B C2B C7B 0.6(4) . . . . ?
C4B C3B C2B N1B 179.2(3) . . . . ?
C1B N1B C2B C3B -58.0(4) . . . . ?
Rh1 N1B C2B C3B 123.9(3) . . . . ?
C1B N1B C2B C7B 120.6(3) . . . . ?
Rh1 N1B C2B C7B -57.5(4) . . . . ?
C7B C6B C5B C4B -1.3(5) . . . . ?
C7B C6B C5B C8B -179.9(3) . . . . ?
Rh2 N4 C11 C12 83(76) . . . . ?
C5 C4 C3 C2 -2.4(5) . . . . ?
C6 N1 C2 C3 -1.4(4) . . . . ?
Rh1 N1 C2 C3 178.8(2) . . . . ?
C6 N1 C2 C2' 178.0(3) . . . . ?
Rh1 N1 C2 C2' -1.8(3) . . . . ?
C4 C3 C2 N1 2.3(5) . . . . ?
C4 C3 C2 C2' -177.0(3) . . . . ?
C3' C4' C5' C6' -0.4(5) . . . . ?
C2 N1 C6 C5 0.6(5) . . . . ?
Rh1 N1 C6 C5 -179.7(2) . . . . ?
C4 C5 C6 N1 -0.7(5) . . . . ?
C6B C5B C4B C3B 0.6(5) . . . . ?
C8B C5B C4B C3B 179.2(3) . . . . ?
C2B C3B C4B C5B -0.3(5) . . . . ?
C2' N1' C6' C5' -1.1(4) . . . . ?
Rh1 N1' C6' C5' -177.3(2) . . . . ?
C4' C5' C6' N1' 0.9(5) . . . . ?
C5B C6B C7B C2B 1.6(5) . . . . ?
C3B C2B C7B C6B -1.2(4) . . . . ?
N1B C2B C7B C6B -179.8(3) . . . . ?
C14B C13B C12B C11B -2.6(5) . . . . ?
C14B C13B C12B C15B 179.9(3) . . . . ?
C9A N2A C1A N1A 168.6(3) . . . . ?
Rh2 N2A C1A N1A -20.0(4) . . . . ?
C2A N1A C1A N2A 160.3(3) . . . . ?
Rh1 N1A C1A N2A -1.6(4) . . . . ?
C12B C13B C14B C9B 0.2(5) . . . . ?
C13B C12B C11B C10B 2.2(5) . . . . ?
C15B C12B C11B C10B 179.6(3) . . . . ?
C9B C10B C11B C12B 0.8(5) . . . . ?
C2B N1B C1B N2B 171.4(3) . . . . ?
Rh1 N1B C1B N2B -10.2(4) . . . . ?
C9B N2B C1B N1B 171.9(3) . . . . ?
Rh2 N2B C1B N1B -6.9(4) . . . . ?
C6' N1' C2' C3' 0.6(4) . . . . ?
Rh1 N1' C2' C3' 177.3(2) . . . . ?
C6' N1' C2' C2 -179.1(3) . . . . ?
Rh1 N1' C2' C2 -2.5(3) . . . . ?
C4' C3' C2' N1' -0.1(4) . . . . ?
C4' C3' C2' C2 179.6(3) . . . . ?
N1 C2 C2' N1' 2.8(4) . . . . ?
C3 C2 C2' N1' -177.8(3) . . . . ?
N1 C2 C2' C3' -176.9(3) . . . . ?
C3 C2 C2' C3' 2.4(5) . . . . ?
C11B C10B C9B C14B -3.3(5) . . . . ?
C11B C10B C9B N2B 174.5(3) . . . . ?
C13B C14B C9B C10B 2.8(5) . . . . ?
C13B C14B C9B N2B -174.9(3) . . . . ?
C1B N2B C9B C10B 134.4(3) . . . . ?
Rh2 N2B C9B C10B -46.8(4) . . . . ?
C1B N2B C9B C14B -47.9(4) . . . . ?
Rh2 N2B C9B C14B 130.9(3) . . . . ?
