#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:38:12 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179254 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/74/4317405.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_4317405
loop_
_publ_author_name
'Alessandro Fumagalli'
'Maria Carlotta Malatesta'
'Anna Tentori'
'Diego Monti'
'Piero Macchi'
'Angelo Sironi'
_publ_section_title
;
 Synthesis and Structural Characterization of the
 {[Rh5(CO)14]-(H2N(CH2)4NH2)-[Rh5(CO)14])}2- and
 [Rh5(CO)13(H2N(CH2)2NH2)]- Anions (as [PPh4]+ Salts): An Unprecedented
 Example of Carbonyl Substitution by Alkylamines in a Homoleptic Metal
 Carbonyl Cluster Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              76
_journal_page_last               85
_journal_paper_doi               10.1021/ic0107936
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         '[Rh5(CO)13(H2N(CH2)2NH2)]- [P(C6H5)4]+ THF'
_chemical_formula_sum            'C43 H36 N2 O14 P Rh5'
_chemical_formula_weight         1350.26
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2001-07-16T08:29:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                99.940(10)
_cell_angle_beta                 101.400(10)
_cell_angle_gamma                106.300(10)
_cell_formula_units_Z            2
_cell_length_a                   11.999(2)
_cell_length_b                   12.760(2)
_cell_length_c                   16.919(2)
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      25.
_cell_measurement_theta_min      3.
_cell_volume                     2364.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      233(2)
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 0.893
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device       Diffractometer
_diffrn_measurement_device_type  SMART-CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27376
_diffrn_reflns_theta_full        29.24
_diffrn_reflns_theta_max         29.24
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    1.808
_exptl_absorpt_correction_T_max  0.8399
_exptl_absorpt_correction_T_min  0.6607
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   dd
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         11515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.842
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0175P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0434
_refine_ls_wR_factor_ref         0.045
_reflns_number_gt                8299
_reflns_number_total             11515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0107936_2.cif
_cod_data_source_block           compound_2
_cod_database_code               4317405
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.635556(17) 0.339700(15) 0.048970(12) 0.02514(5) Uani 1 1 d . . .
Rh2 Rh 0.567847(18) 0.427862(15) 0.201621(12) 0.02905(5) Uani 1 1 d . . .
Rh3 Rh 0.682429(18) 0.273412(16) 0.206847(12) 0.03086(5) Uani 1 1 d . . .
Rh4 Rh 0.449486(18) 0.214113(15) 0.116361(12) 0.02877(5) Uani 1 1 d . . .
Rh5 Rh 0.49597(2) 0.251764(18) 0.299685(14) 0.04396(6) Uani 1 1 d . . .
C1 C 0.8041(2) 0.4235(2) 0.09821(16) 0.0332(6) Uani 1 1 d . . .
O1 O 0.90046(17) 0.48123(16) 0.12412(13) 0.0547(6) Uani 1 1 d . . .
C2 C 0.5642(2) 0.5660(2) 0.25745(17) 0.0410(7) Uani 1 1 d . . .
O2 O 0.5618(2) 0.65010(18) 0.29097(15) 0.0782(8) Uani 1 1 d . . .
C3 C 0.8310(3) 0.2476(2) 0.21355(18) 0.0483(8) Uani 1 1 d . . .
O3 O 0.9221(2) 0.2337(2) 0.22061(16) 0.0834(8) Uani 1 1 d . . .
C4 C 0.3072(3) 0.0917(2) 0.08514(19) 0.0472(8) Uani 1 1 d . . .
O4 O 0.2220(2) 0.01662(18) 0.07110(19) 0.0939(9) Uani 1 1 d . . .
C51 C 0.3342(3) 0.2569(3) 0.2673(2) 0.0627(9) Uani 1 1 d . . .
O51 O 0.2361(2) 0.2530(3) 0.25617(17) 0.0951(9) Uani 1 1 d . . .
C52 C 0.5552(3) 0.3824(3) 0.3917(2) 0.0639(10) Uani 1 1 d . . .
O52 O 0.5855(3) 0.4604(2) 0.44525(16) 0.1061(10) Uani 1 1 d . . .
C53 C 0.4455(3) 0.0952(3) 0.29749(18) 0.0572(9) Uani 1 1 d . . .
O53 O 0.4146(3) 0.00018(19) 0.29415(15) 0.0877(9) Uani 1 1 d . . .
C12B C 0.6068(2) 0.4786(2) 0.10166(16) 0.0313(6) Uani 1 1 d . . .
O12B O 0.61462(16) 0.56357(14) 0.08090(11) 0.0399(5) Uani 1 1 d . . .
C14B C 0.4557(2) 0.23801(18) 0.00511(15) 0.0286(6) Uani 1 1 d . . .
O14B O 0.38980(16) 0.20707(14) -0.06241(11) 0.0387(4) Uani 1 1 d . . .
C23B C 0.7446(2) 0.4422(2) 0.26759(16) 0.0338(6) Uani 1 1 d . . .
O23B O 0.82841(17) 0.50990(15) 0.31490(12) 0.0492(5) Uani 1 1 d . . .
C24B C 0.3892(2) 0.3538(2) 0.13469(16) 0.0327(6) Uani 1 1 d . . .
O24B O 0.30328(16) 0.37975(15) 0.11553(13) 0.0504(5) Uani 1 1 d . . .
C34B C 0.5675(2) 0.1185(2) 0.13193(16) 0.0362(6) Uani 1 1 d . . .
O34B O 0.56662(18) 0.02775(15) 0.10732(13) 0.0586(6) Uani 1 1 d . . .
C35B C 0.6667(3) 0.2380(2) 0.31487(18) 0.0464(7) Uani 1 1 d . . .
O35B O 0.7301(2) 0.21852(19) 0.36891(13) 0.0698(7) Uani 1 1 d . . .
N1 N 0.6144(3) 0.3752(2) -0.07342(16) 0.0395(6) Uani 1 1 d . . .
H1 H 0.542(2) 0.358(2) -0.0931(16) 0.031(8) Uiso 1 1 d . . .
H2 H 0.649(3) 0.445(3) -0.0693(19) 0.065(11) Uiso 1 1 d . . .
C1N C 0.6691(4) 0.3099(3) -0.1232(2) 0.0704(11) Uani 1 1 d . . .
H3 H 0.6364 0.3047 -0.1822 0.084 Uiso 1 1 calc R . .
H4 H 0.756 0.3489 -0.1091 0.084 Uiso 1 1 calc R . .
C2N C 0.6476(3) 0.1969(2) -0.11011(18) 0.0611(9) Uani 1 1 d . . .
H5 H 0.6992 0.1622 -0.1357 0.073 Uiso 1 1 calc R . .
H6 H 0.5639 0.1516 -0.1382 0.073 Uiso 1 1 calc R . .
N2 N 0.6709(3) 0.1945(2) -0.02228(15) 0.0368(6) Uani 1 1 d . . .
H7 H 0.629(2) 0.138(2) -0.0206(17) 0.040(10) Uiso 1 1 d . . .
H8 H 0.743(3) 0.197(2) -0.0049(18) 0.054(10) Uiso 1 1 d . . .
P P 0.91393(6) 0.19221(5) 0.58302(4) 0.03121(15) Uani 1 1 d . . .
C111 C 0.7940(2) 0.0722(2) 0.51598(16) 0.0324(6) Uani 1 1 d . . .
C112 C 0.6984(2) 0.0205(2) 0.54705(18) 0.0446(7) Uani 1 1 d . . .
H112 H 0.6982 0.0485 0.6021 0.054 Uiso 1 1 calc R . .
C113 C 0.6047(3) -0.0716(2) 0.4968(2) 0.0507(8) Uani 1 1 d . . .
H113 H 0.5411 -0.1071 0.5179 0.061 Uiso 1 1 calc R . .
C114 C 0.6044(3) -0.1112(2) 0.4160(2) 0.0540(9) Uani 1 1 d . . .
H114 H 0.54 -0.1736 0.3819 0.065 Uiso 1 1 calc R . .
C115 C 0.6967(3) -0.0611(2) 0.38465(19) 0.0529(8) Uani 1 1 d . . .
H115 H 0.6952 -0.0891 0.3291 0.063 Uiso 1 1 calc R . .
C116 C 0.7930(2) 0.0311(2) 0.43442(17) 0.0390(7) Uani 1 1 d . . .
H116 H 0.8567 0.0651 0.4129 0.047 Uiso 1 1 calc R . .
C121 C 1.0012(2) 0.1477(2) 0.66220(15) 0.0322(6) Uani 1 1 d . . .
C122 C 1.1107(2) 0.2225(2) 0.71291(16) 0.0370(6) Uani 1 1 d . . .
H122 H 1.139 0.2959 0.7058 0.044 Uiso 1 1 calc R . .
C123 C 1.1779(3) 0.1887(2) 0.77387(17) 0.0436(7) Uani 1 1 d . . .
H123 H 1.2514 0.2394 0.8084 0.052 Uiso 1 1 calc R . .
C124 C 1.1372(3) 0.0810(2) 0.78396(17) 0.0470(7) Uani 1 1 d . . .
H124 H 1.1831 0.0583 0.8253 0.056 Uiso 1 1 calc R . .
C125 C 1.0296(3) 0.0063(2) 0.73371(19) 0.0541(8) Uani 1 1 d . . .
H125 H 1.0029 -0.0673 0.7407 0.065 Uiso 1 1 calc R . .
C126 C 0.9602(3) 0.0388(2) 0.67273(17) 0.0436(7) Uani 1 1 d . . .
H126 H 0.8863 -0.0121 0.6389 0.052 Uiso 1 1 calc R . .
C131 C 0.8450(2) 0.2882(2) 0.62771(15) 0.0321(6) Uani 1 1 d . . .
C132 C 0.8969(2) 0.3577(2) 0.70671(17) 0.0435(7) Uani 1 1 d . . .
H132 H 0.9688 0.3544 0.7388 0.052 Uiso 1 1 calc R . .
C133 C 0.8430(3) 0.4320(2) 0.73856(19) 0.0509(8) Uani 1 1 d . . .
H133 H 0.879 0.4796 0.7921 0.061 Uiso 1 1 calc R . .
C134 C 0.7382(3) 0.4367(2) 0.69296(19) 0.0463(7) Uani 1 1 d . . .
H134 H 0.7014 0.4865 0.7155 0.056 Uiso 1 1 calc R . .
C135 C 0.6862(3) 0.3689(2) 0.61434(19) 0.0471(7) Uani 1 1 d . . .
H135 H 0.6141 0.3728 0.5829 0.056 Uiso 1 1 calc R . .
C136 C 0.7392(2) 0.2951(2) 0.58105(17) 0.0408(7) Uani 1 1 d . . .
H136 H 0.7038 0.2494 0.5268 0.049 Uiso 1 1 calc R . .
C141 C 1.0109(2) 0.2574(2) 0.52492(15) 0.0322(6) Uani 1 1 d . . .
C142 C 1.1091(3) 0.2238(2) 0.51546(19) 0.0469(7) Uani 1 1 d . . .
H142 H 1.1273 0.1695 0.542 0.056 Uiso 1 1 calc R . .
C143 C 1.1796(3) 0.2702(3) 0.4672(2) 0.0602(9) Uani 1 1 d . . .
H143 H 1.247 0.2488 0.4615 0.072 Uiso 1 1 calc R . .
C144 C 1.1510(3) 0.3480(3) 0.4274(2) 0.0609(9) Uani 1 1 d . . .
H144 H 1.1986 0.3788 0.3938 0.073 Uiso 1 1 calc R . .
C145 C 1.0550(3) 0.3812(2) 0.43587(19) 0.0543(8) Uani 1 1 d . . .
H145 H 1.0366 0.4344 0.4082 0.065 Uiso 1 1 calc R . .
C146 C 0.9844(3) 0.3370(2) 0.48484(17) 0.0416(7) Uani 1 1 d . . .
H146 H 0.9185 0.3607 0.4911 0.05 Uiso 1 1 calc R . .
O1S O 0.9443(2) 0.2651(2) 0.03060(17) 0.0795(7) Uani 1 1 d . . .
C1S C 1.0633(3) 0.1733(3) -0.0278(2) 0.0681(10) Uani 1 1 d . . .
H1SA H 1.0143 0.1022 -0.068 0.082 Uiso 1 1 calc R . .
H1SB H 1.1463 0.1735 -0.0111 0.082 Uiso 1 1 calc R . .
C2S C 1.0138(3) 0.1907(3) 0.0453(2) 0.0729(10) Uani 1 1 d . . .
H2SA H 0.9625 0.1189 0.0506 0.087 Uiso 1 1 calc R . .
H2SB H 1.079 0.2251 0.0964 0.087 Uiso 1 1 calc R . .
C3S C 1.0139(4) 0.3423(4) -0.0046(3) 0.0927(13) Uani 1 1 d . . .
H3SA H 1.0817 0.3984 0.0382 0.111 Uiso 1 1 calc R . .
H3SB H 0.9653 0.3812 -0.0336 0.111 Uiso 1 1 calc R . .
C4S C 1.0571(4) 0.2737(4) -0.0638(3) 0.1047(15) Uani 1 1 d . . .
H4SA H 1.1366 0.3169 -0.0677 0.126 Uiso 1 1 calc R . .
H4SB H 1.0011 0.249 -0.1192 0.126 Uiso 1 1 calc R . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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
C1 Rh1 C12B 85.27(10) . . ?
C1 Rh1 C14B 173.60(10) . . ?
C12B Rh1 C14B 97.08(9) . . ?
C1 Rh1 N1 100.25(11) . . ?
C12B Rh1 N1 94.20(10) . . ?
C14B Rh1 N1 85.54(10) . . ?
C1 Rh1 N2 94.03(11) . . ?
C12B Rh1 N2 173.11(10) . . ?
C14B Rh1 N2 84.34(10) . . ?
N1 Rh1 N2 79.16(9) . . ?
C1 Rh1 Rh4 131.98(8) . . ?
C12B Rh1 Rh4 87.33(8) . . ?
C14B Rh1 Rh4 42.56(7) . . ?
N1 Rh1 Rh4 127.61(8) . . ?
N2 Rh1 Rh4 98.16(8) . . ?
C1 Rh1 Rh3 77.41(8) . . ?
C12B Rh1 Rh3 92.73(8) . . ?
C14B Rh1 Rh3 96.51(7) . . ?
N1 Rh1 Rh3 172.48(7) . . ?
N2 Rh1 Rh3 93.81(7) . . ?
Rh4 Rh1 Rh3 55.641(12) . . ?
C1 Rh1 Rh2 92.19(8) . . ?
C12B Rh1 Rh2 41.76(8) . . ?
C14B Rh1 Rh2 85.71(7) . . ?
N1 Rh1 Rh2 133.17(7) . . ?
N2 Rh1 Rh2 145.12(7) . . ?
Rh4 Rh1 Rh2 54.046(12) . . ?
Rh3 Rh1 Rh2 54.310(10) . . ?
C2 Rh2 C12B 96.03(11) . . ?
C2 Rh2 C24B 100.45(11) . . ?
C12B Rh2 C24B 89.26(10) . . ?
C2 Rh2 C23B 97.48(11) . . ?
C12B Rh2 C23B 98.78(10) . . ?
C24B Rh2 C23B 159.45(9) . . ?
C2 Rh2 Rh4 149.21(8) . . ?
C12B Rh2 Rh4 93.75(7) . . ?
C24B Rh2 Rh4 50.50(7) . . ?
C23B Rh2 Rh4 109.77(7) . . ?
C2 Rh2 Rh3 144.60(9) . . ?
C12B Rh2 Rh3 99.65(7) . . ?
C24B Rh2 Rh3 111.23(7) . . ?
C23B Rh2 Rh3 48.91(7) . . ?
Rh4 Rh2 Rh3 60.886(14) . . ?
C2 Rh2 Rh1 136.97(9) . . ?
C12B Rh2 Rh1 41.49(7) . . ?
C24B Rh2 Rh1 87.87(7) . . ?
C23B Rh2 Rh1 85.82(7) . . ?
Rh4 Rh2 Rh1 61.513(12) . . ?
Rh3 Rh2 Rh1 61.841(11) . . ?
C2 Rh2 Rh5 109.68(9) . . ?
C12B Rh2 Rh5 153.96(7) . . ?
C24B Rh2 Rh5 82.25(7) . . ?
C23B Rh2 Rh5 82.34(7) . . ?
Rh4 Rh2 Rh5 61.973(13) . . ?
Rh3 Rh2 Rh5 61.465(12) . . ?
Rh1 Rh2 Rh5 113.275(13) . . ?
C3 Rh3 C35B 94.57(13) . . ?
C3 Rh3 C23B 99.34(11) . . ?
C35B Rh3 C23B 88.03(10) . . ?
C3 Rh3 C34B 99.44(11) . . ?
C35B Rh3 C34B 96.48(11) . . ?
C23B Rh3 C34B 160.26(10) . . ?
C3 Rh3 Rh2 145.48(9) . . ?
C35B Rh3 Rh2 100.69(9) . . ?
C23B Rh3 Rh2 51.01(7) . . ?
C34B Rh3 Rh2 109.25(7) . . ?
C3 Rh3 Rh4 145.73(9) . . ?
C35B Rh3 Rh4 103.32(9) . . ?
C23B Rh3 Rh4 110.13(7) . . ?
C34B Rh3 Rh4 50.13(7) . . ?
Rh2 Rh3 Rh4 59.151(13) . . ?
C3 Rh3 Rh1 103.30(9) . . ?
C35B Rh3 Rh1 162.12(9) . . ?
C23B Rh3 Rh1 88.39(7) . . ?
C34B Rh3 Rh1 81.44(7) . . ?
Rh2 Rh3 Rh1 63.849(11) . . ?
Rh4 Rh3 Rh1 61.740(12) . . ?
C3 Rh3 Rh5 138.76(9) . . ?
C35B Rh3 Rh5 44.45(9) . . ?
C23B Rh3 Rh5 85.81(7) . . ?
C34B Rh3 Rh5 84.08(8) . . ?
Rh2 Rh3 Rh5 65.052(12) . . ?
Rh4 Rh3 Rh5 62.799(13) . . ?
Rh1 Rh3 Rh5 117.788(13) . . ?
C4 Rh4 C14B 98.40(12) . . ?
C4 Rh4 C24B 103.23(11) . . ?
C14B Rh4 C24B 86.98(9) . . ?
C4 Rh4 C34B 96.08(11) . . ?
C14B Rh4 C34B 100.25(10) . . ?
C24B Rh4 C34B 158.20(10) . . ?
C4 Rh4 Rh2 147.82(9) . . ?
C14B Rh4 Rh2 96.94(7) . . ?
C24B Rh4 Rh2 49.61(7) . . ?
C34B Rh4 Rh2 108.78(7) . . ?
C4 Rh4 Rh3 139.58(9) . . ?
C14B Rh4 Rh3 106.35(7) . . ?
C24B Rh4 Rh3 109.42(7) . . ?
C34B Rh4 Rh3 48.84(7) . . ?
Rh2 Rh4 Rh3 59.963(13) . . ?
C4 Rh4 Rh1 141.80(10) . . ?
C14B Rh4 Rh1 45.73(7) . . ?
C24B Rh4 Rh1 89.44(7) . . ?
C34B Rh4 Rh1 81.39(7) . . ?
Rh2 Rh4 Rh1 64.441(12) . . ?
Rh3 Rh4 Rh1 62.618(13) . . ?
C4 Rh4 Rh5 99.14(10) . . ?
C14B Rh4 Rh5 161.68(7) . . ?
C24B Rh4 Rh5 83.90(7) . . ?
C34B Rh4 Rh5 83.12(7) . . ?
Rh2 Rh4 Rh5 65.132(13) . . ?
Rh3 Rh4 Rh5 62.343(13) . . ?
Rh1 Rh4 Rh5 118.155(14) . . ?
C53 Rh5 C52 130.69(13) . . ?
C53 Rh5 C51 94.33(15) . . ?
C52 Rh5 C51 96.40(15) . . ?
C53 Rh5 C35B 84.90(13) . . ?
C52 Rh5 C35B 90.76(13) . . ?
C51 Rh5 C35B 171.11(13) . . ?
C53 Rh5 Rh3 102.90(10) . . ?
C52 Rh5 Rh3 106.18(11) . . ?
C51 Rh5 Rh3 129.97(10) . . ?
C35B Rh5 Rh3 42.18(8) . . ?
C53 Rh5 Rh4 94.35(9) . . ?
C52 Rh5 Rh4 134.96(10) . . ?
C51 Rh5 Rh4 77.53(10) . . ?
C35B Rh5 Rh4 93.68(8) . . ?
Rh3 Rh5 Rh4 54.858(12) . . ?
C53 Rh5 Rh2 146.08(9) . . ?
C52 Rh5 Rh2 82.52(10) . . ?
C51 Rh5 Rh2 87.30(10) . . ?
C35B Rh5 Rh2 88.43(8) . . ?
Rh3 Rh5 Rh2 53.483(10) . . ?
Rh4 Rh5 Rh2 52.895(12) . . ?
O1 C1 Rh1 173.1(2) . . ?
O2 C2 Rh2 179.6(3) . . ?
O3 C3 Rh3 177.5(3) . . ?
O4 C4 Rh4 175.7(3) . . ?
O51 C51 Rh5 171.1(3) . . ?
O52 C52 Rh5 177.0(4) . . ?
O53 C53 Rh5 178.4(3) . . ?
O12B C12B Rh1 130.7(2) . . ?
O12B C12B Rh2 132.54(19) . . ?
Rh1 C12B Rh2 96.75(11) . . ?
O14B C14B Rh4 136.9(2) . . ?
O14B C14B Rh1 131.4(2) . . ?
Rh4 C14B Rh1 91.72(10) . . ?
O23B C23B Rh3 141.0(2) . . ?
O23B C23B Rh2 138.8(2) . . ?
Rh3 C23B Rh2 80.07(9) . . ?
O24B C24B Rh2 138.9(2) . . ?
O24B C24B Rh4 141.1(2) . . ?
Rh2 C24B Rh4 79.89(10) . . ?
O34B C34B Rh3 140.8(2) . . ?
O34B C34B Rh4 138.1(2) . . ?
Rh3 C34B Rh4 81.03(9) . . ?
O35B C35B Rh3 134.2(3) . . ?
O35B C35B Rh5 132.4(2) . . ?
Rh3 C35B Rh5 93.37(12) . . ?
C1N N1 Rh1 109.42(18) . . ?
C2N C1N N1 112.2(3) . . ?
C1N C2N N2 113.4(3) . . ?
C2N N2 Rh1 108.98(17) . . ?
C141 P C111 110.28(12) . . ?
C141 P C131 110.46(12) . . ?
C111 P C131 106.77(12) . . ?
C141 P C121 108.50(12) . . ?
C111 P C121 109.43(11) . . ?
C131 P C121 111.40(12) . . ?
C116 C111 C112 119.6(2) . . ?
C116 C111 P 121.7(2) . . ?
C112 C111 P 118.7(2) . . ?
C113 C112 C111 120.0(3) . . ?
C114 C113 C112 119.9(3) . . ?
C115 C114 C113 120.8(3) . . ?
C114 C115 C116 120.4(3) . . ?
C111 C116 C115 119.4(3) . . ?
C126 C121 C122 119.7(2) . . ?
C126 C121 P 120.5(2) . . ?
C122 C121 P 119.81(19) . . ?
C123 C122 C121 120.0(2) . . ?
C124 C123 C122 120.1(3) . . ?
C125 C124 C123 120.3(3) . . ?
C124 C125 C126 120.6(3) . . ?
C125 C126 C121 119.4(3) . . ?
C132 C131 C136 119.1(2) . . ?
C132 C131 P 121.4(2) . . ?
C136 C131 P 119.5(2) . . ?
C131 C132 C133 120.0(3) . . ?
C134 C133 C132 120.5(3) . . ?
C133 C134 C135 120.1(3) . . ?
C134 C135 C136 120.3(3) . . ?
C135 C136 C131 120.0(3) . . ?
C146 C141 C142 119.5(3) . . ?
C146 C141 P 120.2(2) . . ?
C142 C141 P 120.2(2) . . ?
C143 C142 C141 119.8(3) . . ?
C144 C143 C142 119.7(3) . . ?
C145 C144 C143 120.9(3) . . ?
C144 C145 C146 120.3(3) . . ?
C145 C146 C141 119.7(3) . . ?
C3S O1S C2S 103.6(3) . . ?
C2S C1S C4S 103.0(3) . . ?
O1S C2S C1S 105.9(3) . . ?
O1S C3S C4S 104.9(3) . . ?
C3S C4S C1S 104.8(3) . . ?
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 C1 1.934(3) . ?
Rh1 C12B 1.994(2) . ?
Rh1 C14B 2.086(2) . ?
Rh1 N1 2.177(2) . ?
Rh1 N2 2.222(2) . ?
Rh1 Rh4 2.9123(5) . ?
Rh1 Rh3 2.9360(4) . ?
Rh1 Rh2 2.9892(4) . ?
Rh2 C2 1.867(3) . ?
Rh2 C12B 2.005(3) . ?
Rh2 C24B 2.075(3) . ?
Rh2 C23B 2.134(3) . ?
Rh2 Rh4 2.6822(6) . ?
Rh2 Rh3 2.7047(4) . ?
Rh2 Rh5 3.0513(5) . ?
Rh3 C3 1.887(3) . ?
Rh3 C35B 1.989(3) . ?
Rh3 C23B 2.070(3) . ?
Rh3 C34B 2.081(3) . ?
Rh3 Rh4 2.7295(6) . ?
Rh3 Rh5 2.9565(5) . ?
Rh4 C4 1.870(3) . ?
Rh4 C14B 1.971(3) . ?
Rh4 C24B 2.102(3) . ?
Rh4 C34B 2.121(3) . ?
Rh4 Rh5 2.9687(5) . ?
Rh5 C53 1.909(3) . ?
Rh5 C52 1.926(3) . ?
Rh5 C51 1.932(4) . ?
Rh5 C35B 2.074(3) . ?
C1 O1 1.132(3) . ?
C2 O2 1.135(3) . ?
C3 O3 1.142(3) . ?
C4 O4 1.138(3) . ?
C51 O51 1.141(4) . ?
C52 O52 1.140(4) . ?
C53 O53 1.152(3) . ?
C12B O12B 1.181(3) . ?
C14B O14B 1.183(3) . ?
C23B O23B 1.163(3) . ?
C24B O24B 1.172(3) . ?
C34B O34B 1.157(3) . ?
C35B O35B 1.177(3) . ?
N1 C1N 1.456(4) . ?
C1N C2N 1.456(4) . ?
C2N N2 1.464(4) . ?
P C141 1.790(3) . ?
P C111 1.795(2) . ?
P C131 1.803(3) . ?
P C121 1.804(3) . ?
C111 C116 1.386(3) . ?
C111 C112 1.400(4) . ?
C112 C113 1.379(4) . ?
C113 C114 1.372(4) . ?
C114 C115 1.367(4) . ?
C115 C116 1.392(4) . ?
C121 C126 1.392(3) . ?
C121 C122 1.394(3) . ?
C122 C123 1.386(3) . ?
C123 C124 1.376(4) . ?
C124 C125 1.376(4) . ?
C125 C126 1.390(4) . ?
C131 C132 1.383(3) . ?
C131 C136 1.390(3) . ?
C132 C133 1.384(4) . ?
C133 C134 1.362(4) . ?
C134 C135 1.371(4) . ?
C135 C136 1.381(4) . ?
C141 C146 1.388(3) . ?
C141 C142 1.391(4) . ?
C142 C143 1.374(4) . ?
C143 C144 1.374(4) . ?
C144 C145 1.358(4) . ?
C145 C146 1.375(4) . ?
O1S C3S 1.400(4) . ?
O1S C2S 1.449(4) . ?
C1S C2S 1.484(4) . ?
C1S C4S 1.524(5) . ?
C3S C4S 1.481(5) . ?
