#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/71/4067112.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_4067112
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         'C61 H70 B2 F8 N2 O15 P2 Rh2 '
_chemical_formula_sum            'C61 H70 B2 F8 N2 O15 P2 Rh2'
_chemical_formula_weight         1512.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.77(2)
_cell_angle_beta                 74.34(2)
_cell_angle_gamma                72.62(2)
_cell_formula_units_Z            2
_cell_length_a                   13.173(8)
_cell_length_b                   13.495(6)
_cell_length_c                   21.22(1)
_cell_measurement_reflns_used    20753
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3370(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR88
_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  0.059
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20195
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.622
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.491
_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         0.89
_refine_diff_density_min         -1.45
_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   1.085
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     829
_refine_ls_number_reflns         7663
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.0010
_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         0.1871
_reflns_number_gt                7663
_reflns_number_total             12364
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om100832z_si_001.cif
_cod_data_source_block           compound/14/1076_
_cod_original_cell_volume        3369(3)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C61 H70 B2 F8 N2 O15 P2 Rh2 '
_cod_database_code               4067112
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_calc_flag
Rh(1) Rh 0.27378(4) 0.19645(4) 0.66835(2) 0.0426(1) Uani 1.00 d
Rh(2) Rh 0.22510(4) -0.06267(3) 0.76584(2) 0.0401(1) Uani 1.00 d
P(1) P 0.1429(2) 0.3617(1) 0.66666(7) 0.0459(4) Uani 1.00 d
P(2) P 0.2873(2) -0.1593(1) 0.86662(7) 0.0443(4) Uani 1.00 d
F(1) F -0.0644(5) 0.0953(5) 0.9301(3) 0.095(2) Uani 1.00 d
F(2) F -0.0976(7) 0.1041(5) 0.8306(3) 0.149(3) Uani 1.00 d
F(3) F -0.2336(5) 0.1447(6) 0.9184(3) 0.122(2) Uani 1.00 d
F(4) F -0.1211(7) 0.2536(5) 0.8627(3) 0.146(3) Uani 1.00 d
F(5) F 0.0528(7) -0.4180(5) 0.8120(4) 0.159(3) Uani 1.00 d
F(6) F 0.0086(6) -0.2536(4) 0.8241(3) 0.121(2) Uani 1.00 d
F(7) F -0.0817(7) -0.3160(7) 0.7754(4) 0.162(3) Uani 1.00 d
F(8) F -0.0933(9) -0.3635(7) 0.8865(3) 0.192(4) Uani 1.00 d
O(01) O 0.3947(5) 0.2432(4) 0.5245(2) 0.074(2) Uani 1.00 d
O(1) O 0.3660(4) 0.2745(4) 0.7050(2) 0.057(1) Uani 1.00 d
O(02) O 0.2461(5) -0.2521(4) 0.7121(3) 0.079(2) Uani 1.00 d
O(2) O 0.0621(4) -0.0812(3) 0.8300(2) 0.050(1) Uani 1.00 d
O(11) O 0.5554(5) 0.1062(4) 0.6699(3) 0.078(2) Uani 1.00 d
O(12) O 0.5357(4) 0.0426(4) 0.5880(2) 0.067(1) Uani 1.00 d
O(13) O 0.4472(4) -0.2342(4) 0.7281(3) 0.076(2) Uani 1.00 d
O(14) O 0.5627(4) -0.1299(4) 0.7072(3) 0.073(1) Uani 1.00 d
O(21) O 0.1688(5) 0.2551(4) 0.5382(2) 0.073(2) Uani 1.00 d
O(22) O 0.0420(5) 0.1591(4) 0.5809(2) 0.070(1) Uani 1.00 d
O(23) O 0.1019(4) -0.0746(4) 0.6321(2) 0.060(1) Uani 1.00 d
O(24) O -0.0234(4) 0.0122(4) 0.7050(2) 0.061(1) Uani 1.00 d
O(201) O 0.4954(5) 0.4109(5) 0.6302(3) 0.084(2) Uani 1.00 d
O(202) O 0.4046(5) 0.1834(5) 0.8319(3) 0.085(2) Uani 1.00 d
O(203) O -0.4010(9) 0.4932(7) 0.7825(6) 0.156(4) Uani 1.00 d
N(1) N 0.1920(4) 0.1708(4) 0.7723(2) 0.040(1) Uani 1.00 d
N(2) N 0.2041(4) 0.0656(4) 0.8117(2) 0.041(1) Uani 1.00 d
C(01) C 0.3436(6) 0.2260(5) 0.5771(4) 0.059(2) Uani 1.00 d
C(02) C 0.2430(6) -0.1811(5) 0.7312(3) 0.052(2) Uani 1.00 d
C(11) C 0.3926(5) 0.0501(5) 0.6819(3) 0.044(1) Uani 1.00 d
C(12) C 0.3745(5) -0.0458(4) 0.7140(3) 0.044(1) Uani 1.00 d
C(13) C 0.5032(7) 0.0671(6) 0.6479(4) 0.063(2) Uani 1.00 d
C(14) C 0.6373(8) 0.0667(8) 0.5468(5) 0.095(3) Uani 1.00 d
C(15) C 0.649(1) 0.046(1) 0.4802(6) 0.127(5) Uani 1.00 d
C(16) C 0.4631(6) -0.1453(6) 0.7169(3) 0.056(2) Uani 1.00 d
C(17) C 0.6543(8) -0.2254(7) 0.7091(6) 0.098(3) Uani 1.00 d
C(18) C 0.707(1) -0.240(1) 0.6473(8) 0.194(9) Uani 1.00 d
C(21) C 0.1754(5) 0.1264(5) 0.6449(3) 0.043(1) Uani 1.00 d
C(22) C 0.1544(5) 0.0349(4) 0.6829(3) 0.039(1) Uani 1.00 d
C(23) C 0.1298(6) 0.1875(5) 0.5826(3) 0.048(2) Uani 1.00 d
C(24) C -0.0016(8) 0.2038(7) 0.5192(4) 0.088(3) Uani 1.00 d
C(25) C 0.049(1) 0.136(1) 0.4719(6) 0.152(6) Uani 1.00 d
C(26) C 0.0772(6) -0.0135(5) 0.6685(3) 0.046(1) Uani 1.00 d
C(27) C -0.1036(8) -0.0332(9) 0.6954(5) 0.091(3) Uani 1.00 d
C(28) C -0.205(1) 0.002(2) 0.7361(9) 0.179(7) Uani 1.00 d
C(101) C 0.1502(5) 0.2513(4) 0.8010(3) 0.038(1) Uani 1.00 d
C(102) C 0.1321(5) 0.2379(5) 0.8723(3) 0.045(1) Uani 1.00 d
C(103) C 0.1565(5) 0.1334(5) 0.9120(3) 0.042(1) Uani 1.00 d
C(104) C 0.1880(5) 0.0482(5) 0.8781(3) 0.041(1) Uani 1.00 d
C(105) C 0.0965(6) 0.3247(5) 0.9032(3) 0.051(2) Uani 1.00 d
C(106) C 0.0846(6) 0.3062(5) 0.9718(3) 0.053(2) Uani 1.00 d
C(107) C 0.1099(7) 0.2046(6) 1.0101(3) 0.062(2) Uani 1.00 d
C(108) C 0.1457(6) 0.1174(5) 0.9818(3) 0.055(2) Uani 1.00 d
C(109) C 0.1252(6) 0.3618(5) 0.7558(3) 0.052(2) Uani 1.00 d
C(110) C 0.2010(6) -0.0667(5) 0.9192(3) 0.048(2) Uani 1.00 d
C(111) C 0.1797(6) 0.4884(5) 0.6227(3) 0.053(2) Uani 1.00 d
C(112) C 0.2600(7) 0.4962(6) 0.5639(4) 0.068(2) Uani 1.00 d
C(113) C 0.2857(9) 0.5943(8) 0.5314(5) 0.090(3) Uani 1.00 d
C(114) C 0.2309(9) 0.6819(7) 0.5601(5) 0.087(3) Uani 1.00 d
C(115) C 0.1533(9) 0.6741(6) 0.6167(4) 0.082(3) Uani 1.00 d
C(116) C 0.1261(7) 0.5784(6) 0.6489(4) 0.068(2) Uani 1.00 d
C(121) C 0.0083(6) 0.3786(5) 0.6533(3) 0.051(2) Uani 1.00 d
C(122) C -0.0346(7) 0.4599(6) 0.6013(4) 0.067(2) Uani 1.00 d
C(123) C -0.1364(9) 0.4679(7) 0.5912(5) 0.084(3) Uani 1.00 d
C(124) C -0.1969(8) 0.3972(9) 0.6312(5) 0.091(3) Uani 1.00 d
C(125) C -0.1568(7) 0.3153(8) 0.6843(5) 0.080(2) Uani 1.00 d
C(126) C -0.0543(7) 0.3059(6) 0.6942(4) 0.061(2) Uani 1.00 d
C(131) C 0.4239(6) -0.1723(5) 0.8767(3) 0.053(2) Uani 1.00 d
C(132) C 0.4673(7) -0.0818(6) 0.8568(4) 0.072(2) Uani 1.00 d
C(133) C 0.5695(8) -0.0894(7) 0.8649(5) 0.085(3) Uani 1.00 d
C(134) C 0.6355(8) -0.1873(9) 0.8899(5) 0.090(3) Uani 1.00 d
C(135) C 0.5940(8) -0.2744(7) 0.9090(5) 0.084(3) Uani 1.00 d
C(136) C 0.4918(7) -0.2694(6) 0.9026(4) 0.074(2) Uani 1.00 d
C(141) C 0.2572(6) -0.2897(5) 0.9081(3) 0.052(2) Uani 1.00 d
C(142) C 0.2014(6) -0.3132(5) 0.9741(3) 0.061(2) Uani 1.00 d
C(143) C 0.1884(7) -0.4157(6) 1.0035(4) 0.068(2) Uani 1.00 d
C(144) C 0.2284(7) -0.4941(6) 0.9693(4) 0.070(2) Uani 1.00 d
C(145) C 0.2860(8) -0.4717(6) 0.9031(4) 0.081(3) Uani 1.00 d
C(146) C 0.2991(7) -0.3700(5) 0.8725(4) 0.067(2) Uani 1.00 d
C(201) C 0.5191(10) 0.5834(8) 0.6129(7) 0.126(4) Uani 1.00 d
C(202) C 0.4718(8) 0.4923(7) 0.6515(5) 0.077(2) Uani 1.00 d
C(203) C 0.3967(8) 0.5024(7) 0.7160(5) 0.084(3) Uani 1.00 d
C(204) C 0.5764(9) 0.2231(9) 0.8049(6) 0.106(3) Uani 1.00 d
C(205) C 0.4762(9) 0.1966(7) 0.8533(5) 0.083(3) Uani 1.00 d
C(206) C 0.467(1) 0.182(1) 0.9265(6) 0.151(6) Uani 1.00 d
C(207) C -0.3849(10) 0.4321(10) 0.8984(8) 0.122(4) Uani 1.00 d
C(208) C -0.349(1) 0.4782(7) 0.8239(7) 0.103(4) Uani 1.00 d
C(209) C -0.237(1) 0.5010(8) 0.8029(6) 0.109(3) Uani 1.00 d
B(1) B -0.1298(9) 0.1491(8) 0.8831(4) 0.069(3) Uani 1.00 d
B(2) B -0.0270(10) -0.3405(7) 0.8285(5) 0.074(3) Uani 1.00 d
H(1) H 0.6356 0.1413 0.5422 0.1233 Uiso 1.00 calc
H(01) H 0.4090 0.2175 0.7415 0.1759 Uiso 1.00 calc
H(2) H 0.6973 0.0241 0.5670 0.1233 Uiso 1.00 calc
H(02) H 0.4121 0.3118 0.6848 0.1301 Uiso 1.00 calc
H(3) H 0.6485 -0.0253 0.4838 0.1462 Uiso 1.00 calc
H(03) H 0.0117 -0.0308 0.8263 0.0466 Uiso 1.00 calc
H(4) H 0.5886 0.0924 0.4586 0.1462 Uiso 1.00 calc
H(04) H 0.0313 -0.1357 0.8275 0.0591 Uiso 1.00 calc
H(5) H 0.7140 0.0616 0.4497 0.1462 Uiso 1.00 calc
H(6) H 0.7076 -0.2182 0.7314 0.1187 Uiso 1.00 calc
H(7) H 0.6306 -0.2886 0.7362 0.1187 Uiso 1.00 calc
H(8) H 0.7642 -0.3011 0.6488 0.2031 Uiso 1.00 calc
H(9) H 0.6542 -0.2481 0.6259 0.2031 Uiso 1.00 calc
H(10) H 0.7318 -0.1784 0.6212 0.2031 Uiso 1.00 calc
H(11) H -0.0778 0.2094 0.5291 0.1085 Uiso 1.00 calc
H(12) H 0.0113 0.2734 0.4988 0.1085 Uiso 1.00 calc
H(13) H 0.0391 0.0654 0.4912 0.1767 Uiso 1.00 calc
H(14) H 0.0238 0.1638 0.4311 0.1767 Uiso 1.00 calc
H(15) H 0.1280 0.1296 0.4608 0.1767 Uiso 1.00 calc
H(16) H -0.1097 -0.0120 0.6487 0.1127 Uiso 1.00 calc
H(17) H -0.0823 -0.1098 0.7074 0.1127 Uiso 1.00 calc
H(18) H -0.2267 0.0779 0.7222 0.2206 Uiso 1.00 calc
H(19) H -0.2580 -0.0276 0.7294 0.2206 Uiso 1.00 calc
H(20) H -0.1989 -0.0194 0.7811 0.2206 Uiso 1.00 calc
H(21) H 0.0800 0.3968 0.8764 0.0625 Uiso 1.00 calc
H(22) H 0.0585 0.3657 0.9927 0.0631 Uiso 1.00 calc
H(23) H 0.1023 0.1939 1.0582 0.0722 Uiso 1.00 calc
H(24) H 0.1619 0.0450 1.0095 0.0661 Uiso 1.00 calc
H(25) H 0.1721 0.4025 0.7590 0.0636 Uiso 1.00 calc
H(26) H 0.0517 0.3987 0.7711 0.0636 Uiso 1.00 calc
H(27) H 0.1305 -0.0822 0.9359 0.0591 Uiso 1.00 calc
H(28) H 0.2321 -0.0749 0.9563 0.0591 Uiso 1.00 calc
H(29) H 0.2989 0.4334 0.5465 0.0829 Uiso 1.00 calc
H(30) H 0.3383 0.6041 0.4907 0.1100 Uiso 1.00 calc
H(31) H 0.2509 0.7494 0.5403 0.1052 Uiso 1.00 calc
H(32) H 0.1152 0.7364 0.6348 0.0950 Uiso 1.00 calc
H(33) H 0.0694 0.5744 0.6888 0.0825 Uiso 1.00 calc
H(34) H 0.0093 0.5108 0.5728 0.0788 Uiso 1.00 calc
H(35) H -0.1637 0.5245 0.5547 0.0990 Uiso 1.00 calc
H(36) H -0.2673 0.4024 0.6234 0.1118 Uiso 1.00 calc
H(37) H -0.1999 0.2648 0.7133 0.0963 Uiso 1.00 calc
H(38) H -0.0255 0.2495 0.7300 0.0736 Uiso 1.00 calc
H(39) H 0.4229 -0.0128 0.8392 0.0818 Uiso 1.00 calc
H(40) H 0.5953 -0.0250 0.8513 0.0983 Uiso 1.00 calc
H(41) H 0.7080 -0.1920 0.8931 0.1091 Uiso 1.00 calc
H(42) H 0.6392 -0.3419 0.9266 0.0950 Uiso 1.00 calc
H(43) H 0.4660 -0.3342 0.9162 0.0855 Uiso 1.00 calc
H(44) H 0.1703 -0.2580 0.9994 0.0741 Uiso 1.00 calc
H(45) H 0.1488 -0.4310 1.0496 0.0813 Uiso 1.00 calc
H(46) H 0.2171 -0.5658 0.9910 0.0838 Uiso 1.00 calc
H(47) H 0.3180 -0.5284 0.8789 0.0981 Uiso 1.00 calc
H(48) H 0.3377 -0.3535 0.8258 0.0830 Uiso 1.00 calc
H(49) H 0.5953 0.5650 0.6045 0.1465 Uiso 1.00 calc
H(50) H 0.4963 0.6112 0.5693 0.1465 Uiso 1.00 calc
H(51) H 0.4923 0.6410 0.6353 0.1465 Uiso 1.00 calc
H(52) H 0.3861 0.5697 0.7260 0.1005 Uiso 1.00 calc
H(53) H 0.3265 0.4937 0.7163 0.1005 Uiso 1.00 calc
H(54) H 0.4231 0.4473 0.7534 0.1005 Uiso 1.00 calc
H(55) H 0.6262 0.2314 0.8288 0.1201 Uiso 1.00 calc
H(56) H 0.6135 0.1699 0.7812 0.1201 Uiso 1.00 calc
H(57) H 0.5574 0.2904 0.7739 0.1201 Uiso 1.00 calc
H(58) H 0.4019 0.2327 0.9434 0.1716 Uiso 1.00 calc
H(59) H 0.4575 0.1122 0.9508 0.1716 Uiso 1.00 calc
H(60) H 0.5267 0.1939 0.9375 0.1716 Uiso 1.00 calc
H(61) H -0.4514 0.4746 0.9182 0.1368 Uiso 1.00 calc
H(62) H -0.3952 0.3603 0.9078 0.1368 Uiso 1.00 calc
H(63) H -0.3313 0.4251 0.9251 0.1368 Uiso 1.00 calc
H(64) H -0.2002 0.4871 0.8399 0.1291 Uiso 1.00 calc
H(65) H -0.1873 0.4577 0.7723 0.1291 Uiso 1.00 calc
H(66) H -0.2388 0.5744 0.7791 0.1291 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_publ_flag
P(1) Rh(1) O(1) 83.2(1) yes
P(1) Rh(1) N(1) 79.7(1) yes
P(1) Rh(1) C(01) 97.8(2) yes
P(1) Rh(1) C(11) 172.7(2) yes
P(1) Rh(1) C(21) 93.6(2) yes
O(1) Rh(1) N(1) 81.8(2) yes
O(1) Rh(1) C(01) 96.7(3) yes
O(1) Rh(1) C(11) 91.5(2) yes
O(1) Rh(1) C(21) 173.2(2) yes
N(1) Rh(1) C(01) 177.2(2) yes
N(1) Rh(1) C(11) 94.6(2) yes
N(1) Rh(1) C(21) 91.7(2) yes
C(01) Rh(1) C(11) 87.7(2) yes
C(01) Rh(1) C(21) 89.7(3) yes
C(11) Rh(1) C(21) 91.1(3) yes
P(2) Rh(2) O(2) 83.2(1) yes
P(2) Rh(2) N(2) 79.7(1) yes
P(2) Rh(2) C(02) 96.9(2) yes
P(2) Rh(2) C(12) 93.4(2) yes
P(2) Rh(2) C(22) 173.1(1) yes
O(2) Rh(2) N(2) 85.7(2) yes
O(2) Rh(2) C(02) 92.4(2) yes
O(2) Rh(2) C(12) 176.1(2) yes
O(2) Rh(2) C(22) 91.9(2) yes
N(2) Rh(2) C(02) 176.3(2) yes
N(2) Rh(2) C(12) 91.6(2) yes
N(2) Rh(2) C(22) 95.1(2) yes
C(02) Rh(2) C(12) 90.0(3) yes
C(02) Rh(2) C(22) 88.2(3) yes
C(12) Rh(2) C(22) 91.2(2) yes
Rh(1) P(1) C(109) 97.3(2) yes
Rh(1) P(1) C(111) 121.2(2) yes
Rh(1) P(1) C(121) 121.4(2) yes
C(109) P(1) C(111) 102.6(3) yes
C(109) P(1) C(121) 105.6(3) yes
C(111) P(1) C(121) 105.4(3) yes
Rh(2) P(2) C(110) 96.9(2) yes
Rh(2) P(2) C(131) 122.5(2) yes
Rh(2) P(2) C(141) 118.8(3) yes
C(110) P(2) C(131) 103.8(4) yes
C(110) P(2) C(141) 106.6(3) yes
C(131) P(2) C(141) 105.6(3) yes
C(13) O(12) C(14) 117.2(8) yes
C(16) O(14) C(17) 117.2(7) yes
C(23) O(22) C(24) 117.3(6) yes
C(26) O(24) C(27) 115.8(7) yes
Rh(1) N(1) N(2) 118.5(3) yes
Rh(1) N(1) C(101) 120.1(3) yes
N(2) N(1) C(101) 120.1(4) yes
Rh(2) N(2) N(1) 119.7(3) yes
Rh(2) N(2) C(104) 120.2(4) yes
N(1) N(2) C(104) 119.5(5) yes
Rh(1) C(01) O(01) 173.0(8) yes
Rh(2) C(02) O(02) 175.0(6) yes
Rh(1) C(11) C(12) 126.4(5) yes
Rh(1) C(11) C(13) 110.7(4) yes
C(12) C(11) C(13) 122.9(5) yes
Rh(2) C(12) C(11) 121.1(4) yes
Rh(2) C(12) C(16) 116.5(4) yes
C(11) C(12) C(16) 122.4(6) yes
O(11) C(13) O(12) 123.3(7) yes
O(11) C(13) C(11) 124.3(7) yes
O(12) C(13) C(11) 112.1(8) yes
O(12) C(14) C(15) 107(1) yes
O(13) C(16) O(14) 122.1(6) yes
O(13) C(16) C(12) 123.3(7) yes
O(14) C(16) C(12) 114.5(7) yes
O(14) C(17) C(18) 113.1(9) yes
Rh(1) C(21) C(22) 121.0(5) yes
Rh(1) C(21) C(23) 115.0(5) yes
C(22) C(21) C(23) 124.0(7) yes
Rh(2) C(22) C(21) 126.6(6) yes
Rh(2) C(22) C(26) 112.0(4) yes
C(21) C(22) C(26) 121.4(6) yes
O(21) C(23) O(22) 123.4(6) yes
O(21) C(23) C(21) 124.1(8) yes
O(22) C(23) C(21) 112.5(5) yes
O(22) C(24) C(25) 110.9(8) yes
O(23) C(26) O(24) 122.9(8) yes
O(23) C(26) C(22) 125.0(6) yes
O(24) C(26) C(22) 111.9(6) yes
O(24) C(27) C(28) 109(1) yes
N(1) C(101) C(102) 122.3(5) yes
N(1) C(101) C(109) 117.6(5) yes
C(102) C(101) C(109) 120.1(5) yes
C(101) C(102) C(103) 117.8(6) yes
C(101) C(102) C(105) 122.7(5) yes
C(103) C(102) C(105) 119.4(5) yes
C(102) C(103) C(104) 116.8(5) yes
C(102) C(103) C(108) 119.4(6) yes
C(104) C(103) C(108) 123.7(5) yes
N(2) C(104) C(103) 122.4(5) yes
N(2) C(104) C(110) 118.1(6) yes
C(103) C(104) C(110) 119.5(5) yes
C(102) C(105) C(106) 119.7(5) yes
C(105) C(106) C(107) 120.6(7) yes
C(106) C(107) C(108) 121.5(6) yes
C(103) C(108) C(107) 119.3(5) yes
P(1) C(109) C(101) 113.6(5) yes
P(2) C(110) C(104) 110.3(4) yes
P(1) C(111) C(112) 121.2(5) yes
P(1) C(111) C(116) 118.7(5) yes
C(112) C(111) C(116) 120.2(6) yes
C(111) C(112) C(113) 119.7(7) yes
C(112) C(113) C(114) 118.2(8) yes
C(113) C(114) C(115) 122.0(9) yes
C(114) C(115) C(116) 120.5(8) yes
C(111) C(116) C(115) 119.5(7) yes
P(1) C(121) C(122) 121.9(6) yes
P(1) C(121) C(126) 119.2(5) yes
C(122) C(121) C(126) 118.8(8) yes
C(121) C(122) C(123) 120.2(8) yes
C(122) C(123) C(124) 120.7(8) yes
C(123) C(124) C(125) 120(1) yes
C(124) C(125) C(126) 119.1(9) yes
C(121) C(126) C(125) 120.6(7) yes
P(2) C(131) C(132) 120.0(5) yes
P(2) C(131) C(136) 123.7(7) yes
C(132) C(131) C(136) 116.3(8) yes
C(131) C(132) C(133) 121.0(7) yes
C(132) C(133) C(134) 121.2(10) yes
C(133) C(134) C(135) 117(1) yes
C(134) C(135) C(136) 122.4(8) yes
C(131) C(136) C(135) 121.2(8) yes
P(2) C(141) C(142) 122.7(6) yes
P(2) C(141) C(146) 117.6(5) yes
C(142) C(141) C(146) 119.6(6) yes
C(141) C(142) C(143) 119.4(7) yes
C(142) C(143) C(144) 121.6(7) yes
C(143) C(144) C(145) 119.5(7) yes
C(144) C(145) C(146) 120.0(8) yes
C(141) C(146) C(145) 120.0(7) yes
O(201) C(202) C(201) 120.6(9) yes
O(201) C(202) C(203) 122.2(8) yes
C(201) C(202) C(203) 117.3(9) yes
O(202) C(205) C(204) 119.5(9) yes
O(202) C(205) C(206) 120(1) yes
C(204) C(205) C(206) 119(1) yes
O(203) C(208) C(207) 124(1) yes
O(203) C(208) C(209) 120(1) yes
C(207) C(208) C(209) 115(1) yes
F(1) B(1) F(2) 110.1(7) yes
F(1) B(1) F(3) 104.5(6) yes
F(1) B(1) F(4) 107.7(10) yes
F(2) B(1) F(3) 114(1) yes
F(2) B(1) F(4) 110.4(7) yes
F(3) B(1) F(4) 109.7(8) yes
F(5) B(2) F(6) 111(1) yes
F(5) B(2) F(7) 100.0(9) yes
F(5) B(2) F(8) 116.7(8) yes
F(6) B(2) F(7) 107.6(7) yes
F(6) B(2) F(8) 110.4(9) yes
F(7) B(2) F(8) 109(1) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh(1) P(1) 2.374(2) yes
Rh(1) O(1) 2.226(6) yes
Rh(1) N(1) 2.153(4) yes
Rh(1) C(01) 1.885(7) yes
Rh(1) C(11) 2.119(5) yes
Rh(1) C(21) 2.044(8) yes
Rh(2) P(2) 2.366(2) yes
Rh(2) O(2) 2.251(4) yes
Rh(2) N(2) 2.141(6) yes
Rh(2) C(02) 1.878(8) yes
Rh(2) C(12) 2.021(6) yes
Rh(2) C(22) 2.116(5) yes
P(1) C(109) 1.842(7) yes
P(1) C(111) 1.826(7) yes
P(1) C(121) 1.808(8) yes
P(2) C(110) 1.841(6) yes
P(2) C(131) 1.819(9) yes
P(2) C(141) 1.829(7) yes
F(1) B(1) 1.39(1) yes
F(2) B(1) 1.34(1) yes
F(3) B(1) 1.38(1) yes
F(4) B(1) 1.38(1) yes
F(5) B(2) 1.30(1) yes
F(6) B(2) 1.36(1) yes
F(7) B(2) 1.40(2) yes
F(8) B(2) 1.32(1) yes
O(01) C(01) 1.134(8) yes
O(02) C(02) 1.13(1) yes
O(11) C(13) 1.23(1) yes
O(12) C(13) 1.335(10) yes
O(12) C(14) 1.46(1) yes
O(13) C(16) 1.22(1) yes
O(14) C(16) 1.34(1) yes
O(14) C(17) 1.478(10) yes
O(21) C(23) 1.222(8) yes
O(22) C(23) 1.33(1) yes
O(22) C(24) 1.46(1) yes
O(23) C(26) 1.209(9) yes
O(24) C(26) 1.344(8) yes
O(24) C(27) 1.45(2) yes
O(201) C(202) 1.23(1) yes
O(202) C(205) 1.23(2) yes
O(203) C(208) 1.19(2) yes
N(1) N(2) 1.405(6) yes
N(1) C(101) 1.306(8) yes
N(2) C(104) 1.325(7) yes
C(11) C(12) 1.331(8) yes
C(11) C(13) 1.49(1) yes
C(12) C(16) 1.490(8) yes
C(14) C(15) 1.48(2) yes
C(17) C(18) 1.35(2) yes
C(21) C(22) 1.321(8) yes
C(21) C(23) 1.508(9) yes
C(22) C(26) 1.50(1) yes
C(24) C(25) 1.45(2) yes
C(27) C(28) 1.41(2) yes
C(101) C(102) 1.430(8) yes
C(101) C(109) 1.510(7) yes
C(102) C(103) 1.404(7) yes
C(102) C(105) 1.409(10) yes
C(103) C(104) 1.434(9) yes
C(103) C(108) 1.406(9) yes
C(104) C(110) 1.521(8) yes
C(105) C(106) 1.376(9) yes
C(106) C(107) 1.365(9) yes
C(107) C(108) 1.38(1) yes
C(111) C(112) 1.400(9) yes
C(111) C(116) 1.401(10) yes
C(112) C(113) 1.39(1) yes
C(113) C(114) 1.40(1) yes
C(114) C(115) 1.35(1) yes
C(115) C(116) 1.37(1) yes
C(121) C(122) 1.411(9) yes
C(121) C(126) 1.41(1) yes
C(122) C(123) 1.38(2) yes
C(123) C(124) 1.37(1) yes
C(124) C(125) 1.42(1) yes
C(125) C(126) 1.38(1) yes
C(131) C(132) 1.41(1) yes
C(131) C(136) 1.399(9) yes
C(132) C(133) 1.37(2) yes
C(133) C(134) 1.39(1) yes
C(134) C(135) 1.35(2) yes
C(135) C(136) 1.37(2) yes
C(141) C(142) 1.385(9) yes
C(141) C(146) 1.40(1) yes
C(142) C(143) 1.38(1) yes
C(143) C(144) 1.36(1) yes
C(144) C(145) 1.40(1) yes
C(145) C(146) 1.37(1) yes
C(201) C(202) 1.47(1) yes
C(202) C(203) 1.47(1) yes
C(204) C(205) 1.50(1) yes
C(205) C(206) 1.48(2) yes
C(207) C(208) 1.52(2) yes
C(208) C(209) 1.51(2) 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(110) 3.192(7) 2_557
F(1) C(108) 3.234(9) 2_557
F(3) C(110) 3.399(9) 2_557
F(3) C(108) 3.575(9) 2_557
F(4) C(142) 3.60(1) 2_557
F(5) C(109) 3.31(1) 1_545
F(5) C(116) 3.34(1) 1_545
F(5) C(105) 3.400(8) 1_545
F(7) C(209) 3.49(2) 1_545
F(7) C(116) 3.56(1) 1_545
F(8) C(106) 3.36(1) 2_557
F(8) C(107) 3.42(1) 2_557
F(8) C(144) 3.44(1) 2_547
F(8) C(143) 3.53(1) 2_547
O(01) C(201) 3.32(1) 2_666
O(02) C(115) 3.14(1) 1_545
O(02) C(203) 3.305(10) 1_545
O(11) C(28) 3.53(2) 1_655
O(23) C(115) 3.35(1) 1_545
O(23) C(15) 3.54(1) 2_656
O(203) C(203) 3.29(2) 1_455
C(24) C(114) 3.57(2) 2_566
C(25) C(115) 3.60(2) 2_566
C(106) C(143) 3.41(1) 2_557
