#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/71/4067111.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_4067111
loop_
_publ_author_name
'Yamaguchi, Takafumi'
'Koike, Takashi'
'Akita, Munetaka'
_publ_section_title
;
 Dirhodium Complexes Bridged by Bis(diphenylphosphino)phthalazine
 (PNNPPh): Central Ring Size and Charge Effects As Compared with the
 Pyrazolate Derivative (PNNPPy)
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6493
_journal_paper_doi               10.1021/om100832z
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C60 H59 B F4 N2 O6 P2 Rh2 '
_chemical_formula_sum            'C60 H59 B F4 N2 O6 P2 Rh2'
_chemical_formula_weight         1258.70
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.68(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.11(1)
_cell_length_b                   15.89(1)
_cell_length_c                   30.56(2)
_cell_measurement_reflns_used    34555
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     13005(13)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      213
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            47453
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.96
_refine_diff_density_min         -0.63
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     694
_refine_ls_number_reflns         8339
_refine_ls_R_factor_gt           0.0717
_refine_ls_shift/su_max          -0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2287
_reflns_number_gt                8339
_reflns_number_total             13333
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om100832z_si_001.cif
_cod_data_source_block           compound/13/1075_
_cod_original_cell_volume        13001(13)
_cod_original_formula_sum        'C60 H59 B F4 N2 O6 P2 Rh2 '
_cod_database_code               4067111
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-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_adp_type
_atom_site_occupancy
_atom_site_calc_flag
Rh(1) Rh -0.01576(2) 0.28972(4) 0.16144(2) 0.0639(2) Uani 1.00 d
Rh(2) Rh 0.04667(2) 0.10143(3) 0.21478(2) 0.0555(2) Uani 1.00 d
P(1) P -0.05627(8) 0.3466(1) 0.09518(7) 0.0672(5) Uani 1.00 d
P(2) P 0.06292(8) -0.0277(1) 0.19340(6) 0.0621(5) Uani 1.00 d
F(1) F -0.1047(3) 0.1544(4) -0.0239(2) 0.123(2) Uani 1.00 d
F(2) F -0.1106(3) 0.2830(5) -0.0571(2) 0.145(3) Uani 1.00 d
F(3) F -0.0907(4) 0.1741(5) -0.0921(2) 0.160(3) Uani 1.00 d
F(4) F -0.1665(5) 0.1853(8) -0.0887(5) 0.268(7) Uani 1.00 d
O(1) O 0.0362(2) 0.0840(3) 0.3043(1) 0.061(1) Uani 1.00 d
O(01) O -0.0452(3) 0.4388(4) 0.2054(2) 0.111(2) Uani 1.00 d
O(02) O 0.0262(2) 0.2286(3) 0.2242(1) 0.059(1) Uani 1.00 d
O(4) O 0.1385(2) 0.1477(4) 0.2011(2) 0.080(2) Uani 1.00 d
O(201) O 0.1131(3) 0.3047(4) 0.2640(2) 0.095(2) Uani 1.00 d
O(301) O 0.298(1) 0.064(2) 0.1624(10) 0.35(1) Uani 1.00 d
N(1) N 0.0046(2) 0.1969(4) 0.1194(2) 0.063(2) Uani 1.00 d
N(2) N 0.0304(2) 0.1250(4) 0.1399(2) 0.061(1) Uani 1.00 d
C(1) C 0.0655(3) 0.0857(4) 0.2817(2) 0.056(2) Uani 1.00 d
C(01) C -0.0340(4) 0.3793(6) 0.1898(3) 0.080(2) Uani 1.00 d
C(2) C 0.1208(3) 0.0855(4) 0.3062(2) 0.062(2) Uani 1.00 d
C(3) C 0.1498(3) 0.1043(4) 0.2785(2) 0.061(2) Uani 1.00 d
C(4) C 0.1187(3) 0.1219(4) 0.2291(2) 0.061(2) Uani 1.00 d
C(11) C 0.1399(3) 0.0651(5) 0.3561(2) 0.065(2) Uani 1.00 d
C(12) C 0.1211(3) 0.1037(5) 0.3884(3) 0.073(2) Uani 1.00 d
C(13) C 0.1400(4) 0.0817(6) 0.4352(3) 0.084(3) Uani 1.00 d
C(14) C 0.1749(4) 0.0221(7) 0.4502(3) 0.084(3) Uani 1.00 d
C(15) C 0.1946(4) -0.0192(6) 0.4191(3) 0.089(3) Uani 1.00 d
C(16) C 0.1773(4) 0.0044(6) 0.3723(3) 0.079(2) Uani 1.00 d
C(17) C 0.1922(4) -0.0062(8) 0.5002(3) 0.115(4) Uani 1.00 d
C(21) C 0.2041(3) 0.1111(4) 0.2921(2) 0.064(2) Uani 1.00 d
C(22) C 0.2312(3) 0.0779(5) 0.2656(3) 0.074(2) Uani 1.00 d
C(23) C 0.2823(3) 0.0822(6) 0.2797(3) 0.086(3) Uani 1.00 d
C(24) C 0.3090(4) 0.1210(6) 0.3211(3) 0.088(2) Uani 1.00 d
C(25) C 0.2821(4) 0.1550(6) 0.3475(3) 0.090(3) Uani 1.00 d
C(26) C 0.2312(4) 0.1508(6) 0.3340(3) 0.079(2) Uani 1.00 d
C(27) C 0.3650(4) 0.1243(9) 0.3355(4) 0.130(4) Uani 1.00 d
C(101) C -0.0035(3) 0.2126(5) 0.0752(2) 0.067(2) Uani 1.00 d
C(102) C 0.0154(3) 0.1559(6) 0.0469(2) 0.078(2) Uani 1.00 d
C(103) C 0.0438(3) 0.0874(5) 0.0679(2) 0.071(2) Uani 1.00 d
C(104) C 0.0490(3) 0.0725(5) 0.1158(2) 0.064(2) Uani 1.00 d
C(105) C 0.0085(4) 0.1732(7) 0.0000(3) 0.098(3) Uani 1.00 d
C(106) C 0.0307(4) 0.1213(7) -0.0239(3) 0.107(4) Uani 1.00 d
C(107) C 0.0584(4) 0.0513(7) -0.0035(3) 0.099(3) Uani 1.00 d
C(108) C 0.0642(4) 0.0321(6) 0.0421(3) 0.085(3) Uani 1.00 d
C(109) C -0.0312(3) 0.2889(6) 0.0553(3) 0.083(3) Uani 1.00 d
C(110) C 0.0777(3) -0.0011(5) 0.1405(2) 0.072(2) Uani 1.00 d
C(111) C -0.0455(4) 0.4567(6) 0.0847(3) 0.082(2) Uani 1.00 d
C(112) C 0.0017(6) 0.4786(10) 0.0839(5) 0.153(6) Uani 1.00 d
C(113) C 0.012(1) 0.564(2) 0.0772(6) 0.23(1) Uani 1.00 d
C(114) C -0.028(1) 0.624(1) 0.0682(7) 0.176(9) Uani 1.00 d
C(115) C -0.0753(9) 0.6001(9) 0.0684(5) 0.157(6) Uani 1.00 d
C(116) C -0.0838(5) 0.5154(6) 0.0765(4) 0.109(3) Uani 1.00 d
C(121) C -0.1230(3) 0.3375(5) 0.0752(3) 0.073(2) Uani 1.00 d
C(122) C -0.1496(4) 0.3449(7) 0.0283(4) 0.097(3) Uani 1.00 d
C(123) C -0.2006(5) 0.3417(9) 0.0137(5) 0.125(4) Uani 1.00 d
C(124) C -0.2273(5) 0.3339(9) 0.0436(6) 0.133(5) Uani 1.00 d
C(125) C -0.2029(5) 0.3237(7) 0.0893(6) 0.118(4) Uani 1.00 d
C(126) C -0.1501(4) 0.3259(6) 0.1064(3) 0.089(3) Uani 1.00 d
C(131) C 0.1145(3) -0.0919(4) 0.2265(2) 0.066(2) Uani 1.00 d
C(132) C 0.1467(3) -0.1295(5) 0.2058(3) 0.072(2) Uani 1.00 d
C(133) C 0.1838(4) -0.1841(6) 0.2316(3) 0.090(3) Uani 1.00 d
C(134) C 0.1872(4) -0.2030(6) 0.2762(3) 0.091(3) Uani 1.00 d
C(135) C 0.1555(4) -0.1661(6) 0.2966(3) 0.086(3) Uani 1.00 d
C(136) C 0.1186(3) -0.1120(5) 0.2724(2) 0.073(2) Uani 1.00 d
C(141) C 0.0105(3) -0.1000(5) 0.1746(3) 0.071(2) Uani 1.00 d
C(142) C -0.0333(3) -0.0735(5) 0.1424(2) 0.068(2) Uani 1.00 d
C(143) C -0.0723(4) -0.1300(6) 0.1253(3) 0.085(3) Uani 1.00 d
C(144) C -0.0678(5) -0.2118(7) 0.1398(4) 0.108(3) Uani 1.00 d
C(145) C -0.0242(7) -0.2374(7) 0.1717(5) 0.152(6) Uani 1.00 d
C(146) C 0.0156(5) -0.1839(7) 0.1907(4) 0.115(4) Uani 1.00 d
C(201) C 0.1910(5) 0.355(1) 0.2655(9) 0.27(1) Uani 1.00 d
C(202) C 0.1384(4) 0.3395(6) 0.2429(5) 0.108(4) Uani 1.00 d
C(203) C 0.1191(7) 0.364(1) 0.1953(6) 0.180(7) Uani 1.00 d
C(301) C 0.220(1) 0.043(3) 0.1316(8) 0.35(2) Uani 1.00 d
C(302) C 0.269(2) 0.066(4) 0.122(1) 0.50(5) Uani 1.00 d
C(303) C 0.359(2) 0.091(2) 0.173(2) 0.43(4) Uani 1.00 d
C(304) C 0.385(2) 0.056(4) 0.230(1) 0.50(4) Uani 1.00 d
B(1) B -0.1198(5) 0.1974(9) -0.0659(5) 0.106(4) Uani 1.00 d
H(1) H 0.0558 0.2570 0.2350 0.0912 Uiso 1.00 calc
H(2) H -0.0117 0.2203 -0.0146 0.1178 Uiso 1.00 calc
H(3) H 0.0261 0.1325 -0.0560 0.1272 Uiso 1.00 calc
H(4) H 0.0740 0.0167 -0.0210 0.1189 Uiso 1.00 calc
H(5) H 0.0824 -0.0179 0.0565 0.1042 Uiso 1.00 calc
H(6) H -0.0581 0.2739 0.0287 0.1022 Uiso 1.00 calc
H(7) H -0.0092 0.3258 0.0454 0.1022 Uiso 1.00 calc
H(8) H 0.1125 0.0090 0.1476 0.0924 Uiso 1.00 calc
H(9) H 0.0698 -0.0499 0.1202 0.0924 Uiso 1.00 calc
H(10) H 0.0295 0.4369 0.0888 0.1901 Uiso 1.00 calc
H(11) H 0.0418 0.5938 0.0777 0.2556 Uiso 1.00 calc
H(12) H -0.0265 0.6859 0.0633 0.1951 Uiso 1.00 calc
H(13) H -0.1025 0.6417 0.0625 0.1774 Uiso 1.00 calc
H(14) H -0.1168 0.4970 0.0767 0.1350 Uiso 1.00 calc
H(15) H -0.1314 0.3528 0.0060 0.1187 Uiso 1.00 calc
H(16) H -0.2175 0.3459 -0.0199 0.1515 Uiso 1.00 calc
H(17) H -0.2632 0.3337 0.0305 0.1630 Uiso 1.00 calc
H(18) H -0.2220 0.3133 0.1104 0.1407 Uiso 1.00 calc
H(19) H -0.1325 0.3194 0.1394 0.1061 Uiso 1.00 calc
H(20) H 0.1440 -0.1172 0.1746 0.0866 Uiso 1.00 calc
H(21) H 0.2074 -0.2089 0.2178 0.1091 Uiso 1.00 calc
H(22) H 0.2121 -0.2433 0.2934 0.1095 Uiso 1.00 calc
H(23) H 0.1587 -0.1778 0.3284 0.1007 Uiso 1.00 calc
H(24) H 0.0959 -0.0874 0.2871 0.0867 Uiso 1.00 calc
H(25) H -0.0366 -0.0156 0.1319 0.0818 Uiso 1.00 calc
H(26) H -0.1026 -0.1109 0.1027 0.1038 Uiso 1.00 calc
H(27) H -0.0958 -0.2510 0.1278 0.1256 Uiso 1.00 calc
H(28) H -0.0229 -0.2966 0.1808 0.1673 Uiso 1.00 calc
H(29) H 0.0450 -0.2013 0.2141 0.1401 Uiso 1.00 calc
H(30) H 0.0953 0.1457 0.3787 0.0912 Uiso 1.00 calc
H(31) H 0.1273 0.1103 0.4571 0.0983 Uiso 1.00 calc
H(32) H 0.2205 -0.0639 0.4295 0.1123 Uiso 1.00 calc
H(33) H 0.1904 -0.0233 0.3503 0.0936 Uiso 1.00 calc
H(34) H 0.1655 -0.0281 0.5095 0.1361 Uiso 1.00 calc
H(35) H 0.2177 -0.0482 0.5047 0.1361 Uiso 1.00 calc
H(36) H 0.2066 0.0407 0.5202 0.1361 Uiso 1.00 calc
H(37) H 0.2137 0.0514 0.2368 0.0883 Uiso 1.00 calc
H(38) H 0.3002 0.0570 0.2604 0.1012 Uiso 1.00 calc
H(39) H 0.2991 0.1835 0.3762 0.1114 Uiso 1.00 calc
H(40) H 0.2126 0.1746 0.3531 0.0937 Uiso 1.00 calc
H(41) H 0.3789 0.0685 0.3390 0.1571 Uiso 1.00 calc
H(42) H 0.3768 0.1531 0.3130 0.1571 Uiso 1.00 calc
H(43) H 0.3780 0.1531 0.3641 0.1571 Uiso 1.00 calc
H(44) H 0.2078 0.2978 0.2721 0.2931 Uiso 1.00 calc
H(45) H 0.2057 0.3790 0.2434 0.2931 Uiso 1.00 calc
H(46) H 0.1977 0.3841 0.2913 0.2931 Uiso 1.00 calc
H(47) H 0.0900 0.4044 0.1919 0.2269 Uiso 1.00 calc
H(48) H 0.1411 0.3915 0.1833 0.2269 Uiso 1.00 calc
H(49) H 0.1035 0.3175 0.1759 0.2269 Uiso 1.00 calc
H(50) H 0.2095 0.0755 0.1536 0.3631 Uiso 1.00 calc
H(51) H 0.1894 0.0400 0.1041 0.3631 Uiso 1.00 calc
H(52) H 0.2193 -0.0178 0.1439 0.3631 Uiso 1.00 calc
H(53) H 0.2677 0.1197 0.1102 0.6006 Uiso 1.00 calc
H(54) H 0.2783 0.0254 0.1038 0.6006 Uiso 1.00 calc
H(55) H 0.3727 0.0617 0.1514 0.5921 Uiso 1.00 calc
H(56) H 0.3622 0.1492 0.1690 0.5921 Uiso 1.00 calc
H(57) H 0.3684 0.0787 0.2497 0.5647 Uiso 1.00 calc
H(58) H 0.3819 -0.0047 0.2298 0.5647 Uiso 1.00 calc
H(59) H 0.4211 0.0669 0.2443 0.5647 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.118 0.919
;International Tables for Crystallography
(1992, 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
P(1) Rh(1) O(02) 176.4(2) . . yes
P(1) Rh(1) N(1) 83.6(2) . . yes
P(1) Rh(1) C(01) 88.5(3) . . yes
O(02) Rh(1) N(1) 92.8(2) . . yes
O(02) Rh(1) C(01) 95.0(3) . . yes
N(1) Rh(1) C(01) 171.3(3) . . yes
P(2) Rh(2) O(1) 95.7(1) . 2_555 yes
P(2) Rh(2) O(02) 171.2(1) . . yes
P(2) Rh(2) N(2) 81.4(2) . . yes
P(2) Rh(2) C(1) 99.9(2) . . yes
P(2) Rh(2) C(4) 85.9(2) . . yes
O(1) Rh(2) O(02) 81.5(2) 2_555 . yes
O(1) Rh(2) N(2) 83.1(2) 2_555 . yes
O(1) Rh(2) C(1) 100.7(3) 2_555 . yes
O(1) Rh(2) C(4) 176.9(2) 2_555 . yes
O(02) Rh(2) N(2) 90.0(2) . . yes
O(02) Rh(2) C(1) 88.8(2) . . yes
O(02) Rh(2) C(4) 96.6(2) . . yes
N(2) Rh(2) C(1) 175.7(3) . . yes
N(2) Rh(2) C(4) 94.4(3) . . yes
C(1) Rh(2) C(4) 81.7(3) . . yes
Rh(1) P(1) C(109) 102.2(3) . . yes
Rh(1) P(1) C(111) 119.4(3) . . yes
Rh(1) P(1) C(121) 118.5(3) . . yes
C(109) P(1) C(111) 104.3(5) . . yes
C(109) P(1) C(121) 107.9(4) . . yes
C(111) P(1) C(121) 103.3(4) . . yes
Rh(2) P(2) C(110) 99.6(3) . . yes
Rh(2) P(2) C(131) 123.6(2) . . yes
Rh(2) P(2) C(141) 116.9(3) . . yes
C(110) P(2) C(131) 105.3(4) . . yes
C(110) P(2) C(141) 104.2(4) . . yes
C(131) P(2) C(141) 104.8(3) . . yes
Rh(2) O(1) C(1) 132.4(4) 2_555 . yes
Rh(1) O(02) Rh(2) 113.7(2) . . yes
C(302) O(301) C(303) 119(3) . . yes
Rh(1) N(1) N(2) 119.5(4) . . yes
Rh(1) N(1) C(101) 119.1(5) . . yes
N(2) N(1) C(101) 121.1(6) . . yes
Rh(2) N(2) N(1) 121.0(4) . . yes
Rh(2) N(2) C(104) 118.3(4) . . yes
N(1) N(2) C(104) 120.5(5) . . yes
Rh(2) C(1) O(1) 125.0(5) . . yes
Rh(2) C(1) C(2) 115.4(5) . . yes
O(1) C(1) C(2) 119.2(6) . . yes
Rh(1) C(01) O(01) 175.8(8) . . yes
C(1) C(2) C(3) 114.1(6) . . yes
C(1) C(2) C(11) 120.4(7) . . yes
C(3) C(2) C(11) 125.5(7) . . yes
C(2) C(3) C(4) 112.4(6) . . yes
C(2) C(3) C(21) 127.3(6) . . yes
C(4) C(3) C(21) 120.3(7) . . yes
Rh(2) C(4) O(4) 123.8(5) . . yes
Rh(2) C(4) C(3) 115.7(6) . . yes
O(4) C(4) C(3) 120.5(7) . . yes
C(2) C(11) C(12) 122.2(7) . . yes
C(2) C(11) C(16) 120.7(7) . . yes
C(12) C(11) C(16) 117.2(7) . . yes
C(11) C(12) C(13) 120.2(8) . . yes
C(12) C(13) C(14) 122.1(9) . . yes
C(13) C(14) C(15) 120.0(8) . . yes
C(13) C(14) C(17) 121.9(9) . . yes
C(15) C(14) C(17) 118.1(9) . . yes
C(14) C(15) C(16) 118.4(8) . . yes
C(11) C(16) C(15) 122.1(9) . . yes
C(3) C(21) C(22) 121.5(6) . . yes
C(3) C(21) C(26) 121.1(8) . . yes
C(22) C(21) C(26) 117.4(8) . . yes
C(21) C(22) C(23) 120.7(7) . . yes
C(22) C(23) C(24) 121.9(10) . . yes
C(23) C(24) C(25) 117.6(9) . . yes
C(23) C(24) C(27) 120(1) . . yes
C(25) C(24) C(27) 122.0(9) . . yes
C(24) C(25) C(26) 121.1(8) . . yes
C(21) C(26) C(25) 121.3(9) . . yes
N(1) C(101) C(102) 120.6(7) . . yes
N(1) C(101) C(109) 119.0(7) . . yes
C(102) C(101) C(109) 120.4(7) . . yes
C(101) C(102) C(103) 118.3(7) . . yes
C(101) C(102) C(105) 121.3(8) . . yes
C(103) C(102) C(105) 120.2(8) . . yes
C(102) C(103) C(104) 117.6(8) . . yes
C(102) C(103) C(108) 120.3(7) . . yes
C(104) C(103) C(108) 122.0(7) . . yes
N(2) C(104) C(103) 121.7(6) . . yes
N(2) C(104) C(110) 117.3(6) . . yes
C(103) C(104) C(110) 121.0(7) . . yes
C(102) C(105) C(106) 118.6(9) . . yes
C(105) C(106) C(107) 121.7(8) . . yes
C(106) C(107) C(108) 120.4(10) . . yes
C(103) C(108) C(107) 118.6(8) . . yes
P(1) C(109) C(101) 113.5(6) . . yes
P(2) C(110) C(104) 113.2(6) . . yes
P(1) C(111) C(112) 117.2(9) . . yes
P(1) C(111) C(116) 121.0(9) . . yes
C(112) C(111) C(116) 121(1) . . yes
C(111) C(112) C(113) 119(1) . . yes
C(112) C(113) C(114) 117(2) . . yes
C(113) C(114) C(115) 121(1) . . yes
C(114) C(115) C(116) 118(1) . . yes
C(111) C(116) C(115) 120(1) . . yes
P(1) C(121) C(122) 121.2(8) . . yes
P(1) C(121) C(126) 120.4(6) . . yes
C(122) C(121) C(126) 118.3(9) . . yes
C(121) C(122) C(123) 120(1) . . yes
C(122) C(123) C(124) 121(1) . . yes
C(123) C(124) C(125) 119(1) . . yes
C(124) C(125) C(126) 121(1) . . yes
C(121) C(126) C(125) 118(1) . . yes
P(2) C(131) C(132) 120.8(5) . . yes
P(2) C(131) C(136) 119.5(7) . . yes
C(132) C(131) C(136) 119.3(7) . . yes
C(131) C(132) C(133) 119.2(8) . . yes
C(132) C(133) C(134) 120.7(10) . . yes
C(133) C(134) C(135) 120.1(9) . . yes
C(134) C(135) C(136) 120.8(8) . . yes
C(131) C(136) C(135) 119.8(9) . . yes
P(2) C(141) C(142) 119.5(6) . . yes
P(2) C(141) C(146) 120.0(7) . . yes
C(142) C(141) C(146) 120.5(8) . . yes
C(141) C(142) C(143) 120.0(7) . . yes
C(142) C(143) C(144) 120.5(8) . . yes
C(143) C(144) C(145) 119(1) . . yes
C(144) C(145) C(146) 123(1) . . yes
C(141) C(146) C(145) 116.7(10) . . yes
O(201) C(202) C(201) 119(1) . . yes
O(201) C(202) C(203) 123(1) . . yes
C(201) C(202) C(203) 116(1) . . yes
O(301) C(302) C(301) 100(3) . . yes
O(301) C(303) C(304) 100(3) . . yes
F(1) B(1) F(2) 108.1(9) . . yes
F(1) B(1) F(3) 109(1) . . yes
F(1) B(1) F(4) 113(1) . . yes
F(2) B(1) F(3) 105(1) . . yes
F(2) B(1) F(4) 110(1) . . yes
F(3) B(1) F(4) 109(1) . . yes
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
Rh(1) P(1) 2.194(2) . yes
Rh(1) O(02) 2.154(4) . yes
Rh(1) N(1) 2.143(6) . yes
Rh(1) C(01) 1.819(9) . yes
Rh(2) P(2) 2.241(2) . yes
Rh(2) O(1) 2.241(5) 2_555 yes
Rh(2) O(02) 2.143(5) . yes
Rh(2) N(2) 2.226(5) . yes
Rh(2) C(1) 1.966(6) . yes
Rh(2) C(4) 1.965(8) . yes
P(1) C(109) 1.829(10) . yes
P(1) C(111) 1.820(9) . yes
P(1) C(121) 1.795(9) . yes
P(2) C(110) 1.837(9) . yes
P(2) C(131) 1.810(7) . yes
P(2) C(141) 1.819(9) . yes
F(1) B(1) 1.40(1) . yes
F(2) B(1) 1.40(2) . yes
F(3) B(1) 1.36(2) . yes
F(4) B(1) 1.30(2) . yes
O(1) C(1) 1.227(10) . yes
O(01) C(01) 1.15(1) . yes
O(4) C(4) 1.22(1) . yes
O(201) C(202) 1.23(2) . yes
O(301) C(302) 1.25(4) . yes
O(301) C(303) 1.71(6) . yes
N(1) N(2) 1.394(8) . yes
N(1) C(101) 1.324(9) . yes
N(2) C(104) 1.32(1) . yes
C(1) C(2) 1.51(1) . yes
C(2) C(3) 1.38(1) . yes
C(2) C(11) 1.490(9) . yes
C(3) C(4) 1.522(9) . yes
C(3) C(21) 1.46(1) . yes
C(11) C(12) 1.40(1) . yes
C(11) C(16) 1.40(1) . yes
C(12) C(13) 1.41(1) . yes
C(13) C(14) 1.34(1) . yes
C(14) C(15) 1.40(1) . yes
C(14) C(17) 1.53(1) . yes
C(15) C(16) 1.41(1) . yes
C(21) C(22) 1.37(1) . yes
C(21) C(26) 1.42(1) . yes
C(22) C(23) 1.37(1) . yes
C(23) C(24) 1.40(1) . yes
C(24) C(25) 1.37(2) . yes
C(24) C(27) 1.50(2) . yes
C(25) C(26) 1.36(1) . yes
C(101) C(102) 1.46(1) . yes
C(101) C(109) 1.47(1) . yes
C(102) C(103) 1.39(1) . yes
C(102) C(105) 1.42(1) . yes
C(103) C(104) 1.44(1) . yes
C(103) C(108) 1.41(1) . yes
C(104) C(110) 1.49(1) . yes
C(105) C(106) 1.37(2) . yes
C(106) C(107) 1.39(1) . yes
C(107) C(108) 1.39(1) . yes
C(111) C(112) 1.38(2) . yes
C(111) C(116) 1.39(2) . yes
C(112) C(113) 1.42(3) . yes
C(113) C(114) 1.45(4) . yes
C(114) C(115) 1.38(4) . yes
C(115) C(116) 1.40(2) . yes
C(121) C(122) 1.41(1) . yes
C(121) C(126) 1.40(2) . yes
C(122) C(123) 1.37(2) . yes
C(123) C(124) 1.35(3) . yes
C(124) C(125) 1.37(2) . yes
C(125) C(126) 1.42(2) . yes
C(131) C(132) 1.39(1) . yes
C(131) C(136) 1.41(1) . yes
C(132) C(133) 1.40(1) . yes
C(133) C(134) 1.37(1) . yes
C(134) C(135) 1.37(2) . yes
C(135) C(136) 1.38(1) . yes
C(141) C(142) 1.39(1) . yes
C(141) C(146) 1.41(1) . yes
C(142) C(143) 1.39(1) . yes
C(143) C(144) 1.37(2) . yes
C(144) C(145) 1.38(2) . yes
C(145) C(146) 1.38(2) . yes
C(201) C(202) 1.45(2) . yes
C(202) C(203) 1.44(2) . yes
C(301) C(302) 1.54(7) . yes
C(303) C(304) 1.78(7) . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
F(1) C(108) 3.28(1) 3_555
F(1) C(107) 3.52(1) 3_555
F(2) C(27) 3.47(1) 8_454
F(3) C(110) 3.19(1) 3_555
F(3) C(132) 3.424(9) 3_555
F(3) C(108) 3.60(1) 3_555
F(4) C(25) 3.26(2) 8_454
O(01) C(304) 2.96(5) 5_455
O(01) C(303) 3.52(4) 5_455
C(17) C(124) 3.54(2) 8_555
C(24) C(133) 3.52(1) 6_555
C(106) C(108) 3.53(1) 3_555
C(107) C(108) 3.54(1) 3_555
C(123) C(124) 3.58(2) 7_455
C(133) C(201) 3.55(2) 6_545
