#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/08/4100868.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_4100868
loop_
_publ_author_name
'Arthur J. Esswein'
'Adam S. Veige'
'Daniel G.Nocera'
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C35 H46 Cl3 F36 N O12 P6 Rh2'
_chemical_formula_weight         1854.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.279(3)
_cell_angle_beta                 94.226(3)
_cell_angle_gamma                104.932(3)
_cell_formula_units_Z            4
_cell_length_a                   16.226(2)
_cell_length_b                   19.218(3)
_cell_length_c                   24.237(3)
_cell_measurement_temperature    150(2)
_cell_volume                     6738.3(16)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.828
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100868
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 0.59752(4) 0.69643(4) 0.36487(3) 0.0206(2) Uani 1 1 d . . .
Rh2 Rh 0.43305(4) 0.63762(4) 0.28669(3) 0.0222(2) Uani 1 1 d . . .
Rh3 Rh 0.77034(4) -0.10462(4) 0.14832(3) 0.0217(2) Uani 1 1 d . . .
Rh4 Rh 0.86751(5) 0.02304(4) 0.25497(3) 0.0224(2) Uani 1 1 d . . .
P1 P 0.65233(15) 0.64212(13) 0.28186(11) 0.0234(5) Uani 1 1 d . . .
P2 P 0.57890(15) 0.59245(13) 0.38677(11) 0.0245(5) Uani 1 1 d . . .
P3 P 0.52389(15) 0.75769(13) 0.43360(11) 0.0239(5) Uani 1 1 d . . .
P4 P 0.49990(15) 0.63059(13) 0.20631(11) 0.0240(5) Uani 1 1 d . . .
P5 P 0.40328(16) 0.53270(13) 0.31135(11) 0.0268(6) Uani 1 1 d . . .
P6 P 0.39997(16) 0.74782(13) 0.33584(11) 0.0260(5) Uani 1 1 d . . .
P7 P 0.82748(15) -0.18211(13) 0.18154(11) 0.0247(5) Uani 1 1 d . . .
P8 P 0.87459(16) -0.08548(14) 0.09766(11) 0.0273(6) Uani 1 1 d . . .
P9 P 0.70518(16) -0.01740(14) 0.13542(11) 0.0267(6) Uani 1 1 d . . .
P10 P 0.87956(15) -0.06112(13) 0.29892(10) 0.0228(5) Uani 1 1 d . . .
P11 P 0.97326(16) 0.05301(14) 0.20477(11) 0.0279(6) Uani 1 1 d . . .
P12 P 0.75517(17) 0.07213(14) 0.26399(11) 0.0300(6) Uani 1 1 d . . .
Cl1 Cl 0.73753(15) 0.75748(13) 0.43934(11) 0.0295(5) Uani 1 1 d . . .
Cl2 Cl 0.62972(14) 0.81252(12) 0.34072(10) 0.0261(5) Uani 1 1 d . . .
Cl3 Cl 0.67787(16) -0.20958(13) 0.05463(10) 0.0330(6) Uani 1 1 d . . .
Cl4 Cl 0.65363(14) -0.13621(13) 0.20182(10) 0.0275(5) Uani 1 1 d . . .
O1 O 0.6263(4) 0.5475(3) 0.2565(3) 0.0299(15) Uani 1 1 d . . .
O2 O 0.7561(4) 0.6674(4) 0.2835(3) 0.0294(15) Uani 1 1 d . . .
O3 O 0.6654(4) 0.5660(4) 0.3825(3) 0.0312(15) Uani 1 1 d . . .
O4 O 0.5567(4) 0.5939(3) 0.4505(3) 0.0291(15) Uani 1 1 d . . .
O5 O 0.5785(4) 0.8185(3) 0.4983(3) 0.0292(15) Uani 1 1 d . . .
O6 O 0.4534(4) 0.7043(3) 0.4571(3) 0.0319(16) Uani 1 1 d . . .
O7 O 0.4711(4) 0.6743(3) 0.1650(3) 0.0274(14) Uani 1 1 d . . .
O8 O 0.4900(4) 0.5452(3) 0.1545(3) 0.0305(15) Uani 1 1 d . . .
O9 O 0.3513(5) 0.4538(4) 0.2536(3) 0.0396(17) Uani 1 1 d . D .
O10 O 0.3451(4) 0.5217(4) 0.3614(3) 0.0381(17) Uani 1 1 d . . .
O11 O 0.3028(4) 0.7283(4) 0.3526(3) 0.0418(18) Uani 1 1 d . . .
O12 O 0.3908(6) 0.8110(4) 0.3076(3) 0.053(2) Uani 1 1 d . E .
O13 O 0.7827(4) -0.2753(3) 0.1530(3) 0.0315(15) Uani 1 1 d . . .
O14 O 0.9282(4) -0.1732(4) 0.1768(3) 0.0306(15) Uani 1 1 d . . .
O15 O 0.8891(4) -0.1675(4) 0.0593(3) 0.0331(16) Uani 1 1 d . . .
O16 O 0.8671(4) -0.0468(4) 0.0495(3) 0.0338(16) Uani 1 1 d . . .
O17 O 0.6233(4) -0.0496(4) 0.0825(3) 0.0355(16) Uani 1 1 d . . .
O18 O 0.7606(4) 0.0503(4) 0.1168(3) 0.0327(15) Uani 1 1 d . . .
O19 O 0.8502(4) -0.0410(3) 0.3637(3) 0.0280(14) Uani 1 1 d . . .
O20 O 0.9741(4) -0.0729(4) 0.3144(3) 0.0304(15) Uani 1 1 d . . .
O21 O 1.0689(4) 0.0812(4) 0.2452(3) 0.0417(18) Uani 1 1 d . F .
O22 O 0.9826(4) 0.1173(4) 0.1740(3) 0.0354(16) Uani 1 1 d . . .
O23 O 0.7855(5) 0.1649(4) 0.2754(3) 0.0411(18) Uani 1 1 d . . .
O24 O 0.7027(5) 0.0799(4) 0.3198(3) 0.049(2) Uani 1 1 d . . .
N1 N 0.2523(5) 0.5752(5) 0.2063(4) 0.036(2) Uani 1 1 d . . .
N2 N 0.9654(6) 0.1633(5) 0.3715(4) 0.041(2) Uani 1 1 d . G .
C1 C 0.6182(6) 0.6629(5) 0.2187(4) 0.025(2) Uani 1 1 d . . .
H1A H 0.6395 0.6343 0.1831 0.030 Uiso 1 1 calc R . .
H1B H 0.6404 0.7193 0.2273 0.030 Uiso 1 1 calc R . .
C2 C 0.4924(6) 0.5066(5) 0.3396(4) 0.029(2) Uani 1 1 d . . .
H2A H 0.4715 0.4742 0.3627 0.035 Uiso 1 1 calc R . .
H2B H 0.5147 0.4756 0.3056 0.035 Uiso 1 1 calc R . .
C3 C 0.4659(6) 0.8132(5) 0.4085(4) 0.025(2) Uani 1 1 d . . .
H3A H 0.5071 0.8587 0.4049 0.031 Uiso 1 1 calc R . .
H3B H 0.4286 0.8320 0.4372 0.031 Uiso 1 1 calc R . .
C4 C 0.6497(8) 0.5038(5) 0.2016(5) 0.040(3) Uani 1 1 d . . .
H4A H 0.7068 0.5329 0.1967 0.047 Uiso 1 1 calc R . .
H4B H 0.6059 0.4933 0.1668 0.047 Uiso 1 1 calc R . .
C5 C 0.6535(11) 0.4304(7) 0.2067(6) 0.065(4) Uani 1 1 d . . .
C6 C 0.8088(6) 0.6485(6) 0.3226(5) 0.038(3) Uani 1 1 d . . .
H6A H 0.7883 0.5920 0.3141 0.046 Uiso 1 1 calc R . .
H6B H 0.8061 0.6772 0.3648 0.046 Uiso 1 1 calc R . .
C7 C 0.8989(8) 0.6711(8) 0.3117(7) 0.060(4) Uani 1 1 d . . .
C8 C 0.6723(6) 0.4987(5) 0.3929(5) 0.033(2) Uani 1 1 d . . .
H8A H 0.6567 0.4531 0.3546 0.040 Uiso 1 1 calc R . .
H8B H 0.6321 0.4870 0.4195 0.040 Uiso 1 1 calc R . .
C9 C 0.7624(7) 0.5146(6) 0.4208(6) 0.044(3) Uani 1 1 d . . .
C10 C 0.6159(7) 0.6477(6) 0.5048(4) 0.036(2) Uani 1 1 d . . .
H10A H 0.5998 0.6963 0.5206 0.043 Uiso 1 1 calc R . .
H10B H 0.6758 0.6609 0.4967 0.043 Uiso 1 1 calc R . .
C11 C 0.6109(8) 0.6094(7) 0.5491(5) 0.048(3) Uani 1 1 d . . .
C12 C 0.6426(6) 0.8895(5) 0.5060(4) 0.028(2) Uani 1 1 d . . .
H12A H 0.6436 0.8966 0.4675 0.034 Uiso 1 1 calc R . .
H12B H 0.7007 0.8886 0.5207 0.034 Uiso 1 1 calc R . .
C13 C 0.6189(7) 0.9548(5) 0.5509(5) 0.034(2) Uani 1 1 d . . .
C14 C 0.4030(7) 0.7386(6) 0.4997(5) 0.044(3) Uani 1 1 d . . .
H14A H 0.3433 0.7276 0.4792 0.052 Uiso 1 1 calc R . .
H14B H 0.4297 0.7958 0.5184 0.052 Uiso 1 1 calc R . .
C15 C 0.4009(11) 0.7040(8) 0.5469(8) 0.069(4) Uani 1 1 d . . .
C16 C 0.5035(6) 0.6740(6) 0.1119(4) 0.033(2) Uani 1 1 d . . .
H16A H 0.5231 0.6276 0.0944 0.040 Uiso 1 1 calc R . .
H16B H 0.5532 0.7211 0.1209 0.040 Uiso 1 1 calc R . .
C17 C 0.4319(7) 0.6724(6) 0.0697(5) 0.040(3) Uani 1 1 d . . .
C18 C 0.4042(7) 0.4924(5) 0.1301(4) 0.036(2) Uani 1 1 d . . .
H18A H 0.3653 0.5194 0.1191 0.043 Uiso 1 1 calc R . .
H18B H 0.3808 0.4720 0.1599 0.043 Uiso 1 1 calc R . .
C19 C 0.4095(9) 0.4260(7) 0.0751(5) 0.051(3) Uani 1 1 d . . .
C20 C 0.3157(8) 0.3800(5) 0.2575(4) 0.053(3) Uani 1 1 d D . .
H20A H 0.2638 0.3789 0.2766 0.064 Uiso 1 1 calc R A 1
H20B H 0.3589 0.3680 0.2808 0.064 Uiso 1 1 calc R A 1
C22 C 0.2792(8) 0.5568(7) 0.3757(7) 0.062(4) Uani 1 1 d . . .
H22A H 0.2823 0.5953 0.3567 0.074 Uiso 1 1 calc R . .
H22B H 0.2883 0.5849 0.4195 0.074 Uiso 1 1 calc R . .
C23 C 0.1936(9) 0.4989(8) 0.3552(8) 0.073(4) Uani 1 1 d . . .
C24 C 0.2594(7) 0.7863(7) 0.3738(7) 0.058(3) Uani 1 1 d . . .
H24A H 0.2425 0.8027 0.3413 0.069 Uiso 1 1 calc R . .
H24B H 0.2982 0.8326 0.4072 0.069 Uiso 1 1 calc R . .
C25 C 0.1825(9) 0.7517(8) 0.3941(7) 0.059(3) Uani 1 1 d . . .
C26 C 0.4226(9) 0.8186(8) 0.2583(6) 0.058(3) Uani 1 1 d . . .
H26A H 0.4068 0.7665 0.2259 0.070 Uiso 1 1 calc R B 1
H26B H 0.4866 0.8386 0.2685 0.070 Uiso 1 1 calc R B 1
C28 C 0.3181(7) 0.5981(5) 0.2353(4) 0.028(2) Uani 1 1 d . . .
C29 C 0.1679(8) 0.5470(7) 0.1689(6) 0.059(3) Uani 1 1 d . . .
C30 C 0.1047(9) 0.5769(10) 0.2083(7) 0.081(5) Uani 1 1 d . . .
H30A H 0.1058 0.5606 0.2423 0.122 Uiso 1 1 calc R . .
H30B H 0.0459 0.5554 0.1847 0.122 Uiso 1 1 calc R . .
H30C H 0.1220 0.6339 0.2229 0.122 Uiso 1 1 calc R . .
C31 C 0.1742(11) 0.5823(13) 0.1213(7) 0.103(6) Uani 1 1 d . . .
H31A H 0.2091 0.6371 0.1396 0.155 Uiso 1 1 calc R . .
H31B H 0.1159 0.5784 0.1040 0.155 Uiso 1 1 calc R . .
H31C H 0.2015 0.5540 0.0899 0.155 Uiso 1 1 calc R . .
C32 C 0.1397(11) 0.4612(9) 0.1436(10) 0.126(9) Uani 1 1 d . . .
H32A H 0.1790 0.4428 0.1172 0.188 Uiso 1 1 calc R . .
H32B H 0.0807 0.4420 0.1206 0.188 Uiso 1 1 calc R . .
H32C H 0.1408 0.4419 0.1760 0.188 Uiso 1 1 calc R . .
C33 C 0.8245(6) -0.1641(5) 0.2596(4) 0.026(2) Uani 1 1 d . . .
H33A H 0.8548 -0.1955 0.2733 0.031 Uiso 1 1 calc R . .
H33B H 0.7639 -0.1773 0.2663 0.031 Uiso 1 1 calc R . .
C34 C 0.9815(6) -0.0246(5) 0.1379(4) 0.032(2) Uani 1 1 d . . .
H34A H 1.0137 -0.0018 0.1120 0.038 Uiso 1 1 calc R . .
H34B H 1.0138 -0.0562 0.1494 0.038 Uiso 1 1 calc R . .
C35 C 0.6656(6) 0.0343(5) 0.2017(4) 0.030(2) Uani 1 1 d . . .
H35A H 0.6474 0.0773 0.1965 0.037 Uiso 1 1 calc R . .
H35B H 0.6154 -0.0016 0.2086 0.037 Uiso 1 1 calc R . .
C36 C 0.7820(8) -0.3177(6) 0.0910(5) 0.044(3) Uani 1 1 d . . .
H36A H 0.8378 -0.2964 0.0800 0.053 Uiso 1 1 calc R . .
H36B H 0.7349 -0.3129 0.0656 0.053 Uiso 1 1 calc R . .
C37 C 0.7685(10) -0.3996(6) 0.0818(6) 0.057(4) Uani 1 1 d . . .
C38 C 0.9757(7) -0.2139(6) 0.2003(5) 0.041(3) Uani 1 1 d . . .
H38A H 0.9376 -0.2662 0.1944 0.049 Uiso 1 1 calc R . .
H38B H 0.9979 -0.1846 0.2437 0.049 Uiso 1 1 calc R . .
C39 C 1.0494(9) -0.2206(9) 0.1671(7) 0.062(4) Uani 1 1 d . . .
C40 C 0.9587(7) -0.1709(6) 0.0261(5) 0.040(3) Uani 1 1 d . . .
H40A H 1.0115 -0.1672 0.0515 0.048 Uiso 1 1 calc R . .
H40B H 0.9721 -0.1275 0.0119 0.048 Uiso 1 1 calc R . .
C41 C 0.9287(8) -0.2481(7) -0.0264(5) 0.051(3) Uani 1 1 d . . .
C42 C 0.7955(7) -0.0818(6) -0.0004(4) 0.039(3) Uani 1 1 d . . .
H42A H 0.7471 -0.0602 0.0101 0.047 Uiso 1 1 calc R . .
H42B H 0.7744 -0.1389 -0.0115 0.047 Uiso 1 1 calc R . .
C43 C 0.8294(8) -0.0632(8) -0.0511(5) 0.052(3) Uani 1 1 d . . .
C44 C 0.5439(6) -0.1070(6) 0.0797(5) 0.038(2) Uani 1 1 d . . .
H44A H 0.5450 -0.1168 0.1171 0.045 Uiso 1 1 calc R . .
H44B H 0.5368 -0.1566 0.0459 0.045 Uiso 1 1 calc R . .
C45 C 0.4701(8) -0.0758(8) 0.0709(7) 0.059(4) Uani 1 1 d . . .
C46 C 0.7236(8) 0.1086(6) 0.1097(5) 0.044(3) Uani 1 1 d . . .
H46A H 0.7431 0.1565 0.1464 0.053 Uiso 1 1 calc R . .
H46B H 0.6595 0.0888 0.1027 0.053 Uiso 1 1 calc R . .
C47 C 0.7525(8) 0.1263(7) 0.0577(6) 0.052(3) Uani 1 1 d . . .
C48 C 0.8585(7) -0.0825(6) 0.4012(4) 0.034(2) Uani 1 1 d . . .
H48A H 0.9099 -0.1012 0.3959 0.040 Uiso 1 1 calc R . .
H48B H 0.8064 -0.1279 0.3913 0.040 Uiso 1 1 calc R . .
C49 C 0.8682(7) -0.0270(6) 0.4637(4) 0.035(2) Uani 1 1 d . . .
C50 C 1.0467(6) -0.0060(6) 0.3450(5) 0.034(2) Uani 1 1 d . . .
H50A H 1.0357 0.0247 0.3845 0.040 Uiso 1 1 calc R . .
H50B H 1.0577 0.0275 0.3215 0.040 Uiso 1 1 calc R . .
C51 C 1.1240(7) -0.0346(8) 0.3530(5) 0.054(3) Uani 1 1 d . . .
C52 C 1.1479(7) 0.1030(8) 0.2235(5) 0.056(3) Uani 1 1 d D . .
H52A H 1.1542 0.1536 0.2194 0.067 Uiso 1 1 calc R C 1
H52B H 1.1438 0.0638 0.1832 0.067 Uiso 1 1 calc R C 1
C54 C 0.9538(8) 0.1829(6) 0.1978(6) 0.048(3) Uani 1 1 d . . .
H54A H 0.9190 0.1768 0.2286 0.057 Uiso 1 1 calc R . .
H54B H 0.9160 0.1866 0.1656 0.057 Uiso 1 1 calc R . .
C55 C 1.0266(11) 0.2544(7) 0.2243(6) 0.068(4) Uani 1 1 d . . .
C56 C 0.7290(9) 0.2116(6) 0.2967(6) 0.052(3) Uani 1 1 d . . .
H56A H 0.7239 0.2187 0.3386 0.063 Uiso 1 1 calc R . .
H56B H 0.6704 0.1867 0.2717 0.063 Uiso 1 1 calc R . .
C57 C 0.7708(11) 0.2884(8) 0.2922(6) 0.063(4) Uani 1 1 d . . .
C58 C 0.6856(7) 0.0252(6) 0.3465(5) 0.036(2) Uani 1 1 d . . .
H58A H 0.7404 0.0176 0.3602 0.044 Uiso 1 1 calc R . .
H58B H 0.6473 -0.0254 0.3172 0.044 Uiso 1 1 calc R . .
C59 C 0.6435(9) 0.0538(7) 0.3971(6) 0.049(3) Uani 1 1 d . . .
C60 C 0.9299(7) 0.1113(6) 0.3278(5) 0.032(2) Uani 1 1 d . . .
C61 C 1.0082(10) 0.2301(6) 0.4250(5) 0.064(4) Uani 1 1 d D . .
C21A C 0.2923(13) 0.3236(8) 0.1938(6) 0.049(8) Uiso 0.407(15) 1 d PD D 1
C27A C 0.392(2) 0.8694(18) 0.2362(16) 0.48(12) Uiso 0.480(19) 1 d PD E 1
C53A C 1.2261(10) 0.1097(14) 0.2630(9) 0.076(9) Uiso 0.517(17) 1 d PD F 1
C62A C 1.046(2) 0.2987(16) 0.4067(14) 0.062(8) Uiso 0.51(3) 1 d P G 1
H62A H 1.0794 0.3441 0.4422 0.093 Uiso 0.51(3) 1 calc PR G 1
H62B H 0.9989 0.3111 0.3883 0.093 Uiso 0.51(3) 1 calc PR G 1
H62C H 1.0843 0.2848 0.3780 0.093 Uiso 0.51(3) 1 calc PR G 1
C63A C 1.071(2) 0.2148(17) 0.4578(14) 0.070(9) Uiso 0.51(3) 1 d P G 1
H63A H 1.0465 0.1649 0.4616 0.105 Uiso 0.51(3) 1 calc PR G 1
H63B H 1.0907 0.2563 0.4976 0.105 Uiso 0.51(3) 1 calc PR G 1
H63C H 1.1207 0.2126 0.4370 0.105 Uiso 0.51(3) 1 calc PR G 1
C64A C 0.9405(17) 0.2401(18) 0.4641(13) 0.083(11) Uiso 0.51(3) 1 d PD G 1
H64A H 0.9151 0.1913 0.4696 0.124 Uiso 0.51(3) 1 calc PR G 1
H64B H 0.8950 0.2536 0.4451 0.124 Uiso 0.51(3) 1 calc PR G 1
H64C H 0.9675 0.2817 0.5031 0.124 Uiso 0.51(3) 1 calc PR G 1
C21B C 0.3279(8) 0.3189(6) 0.2048(5) 0.029(4) Uiso 0.593(15) 1 d PD D 2
C27B C 0.4007(9) 0.8763(9) 0.2437(7) 0.022(5) Uiso 0.520(19) 1 d PD E 2
C53B C 1.2142(15) 0.1534(12) 0.2792(9) 0.089(11) Uiso 0.483(17) 1 d PD F 2
C62B C 1.1020(16) 0.235(3) 0.422(3) 0.15(2) Uiso 0.49(3) 1 d PD G 2
H62D H 1.1150 0.1927 0.4318 0.232 Uiso 0.49(3) 1 calc PR G 2
H62E H 1.1394 0.2850 0.4512 0.232 Uiso 0.49(3) 1 calc PR G 2
H62F H 1.1126 0.2294 0.3819 0.232 Uiso 0.49(3) 1 calc PR G 2
C63B C 1.006(3) 0.212(2) 0.4776(18) 0.102(14) Uiso 0.49(3) 1 d P G 2
H63D H 1.0407 0.1769 0.4764 0.153 Uiso 0.49(3) 1 calc PR G 2
H63E H 0.9463 0.1875 0.4794 0.153 Uiso 0.49(3) 1 calc PR G 2
H63F H 1.0308 0.2605 0.5130 0.153 Uiso 0.49(3) 1 calc PR G 2
C64B C 1.010(2) 0.3016(16) 0.4182(13) 0.054(8) Uiso 0.49(3) 1 d P G 2
H64D H 1.0497 0.3453 0.4520 0.081 Uiso 0.49(3) 1 calc PR G 2
H64E H 0.9514 0.3071 0.4172 0.081 Uiso 0.49(3) 1 calc PR G 2
H64F H 1.0294 0.3011 0.3808 0.081 Uiso 0.49(3) 1 calc PR G 2
C1S C 0.4495(16) 0.1551(17) 0.126(2) 0.29(3) Uani 1 1 d . . .
H1S1 H 0.4111 0.1627 0.1564 0.344 Uiso 1 1 calc R . .
H1S2 H 0.4374 0.0984 0.1047 0.344 Uiso 1 1 calc R . .
C2S C 0.903(6) 0.429(3) 0.2008(15) 0.43(4) Uiso 0.70(4) 1 d PD H 1
H2S1 H 0.8879 0.4004 0.2267 0.648 Uiso 0.70(4) 1 calc PR H 1
H2S2 H 0.8710 0.4674 0.2066 0.648 Uiso 0.70(4) 1 calc PR H 1
H2S3 H 0.9656 0.4568 0.2110 0.648 Uiso 0.70(4) 1 calc PR H 1
C3S C 0.881(2) 0.374(2) 0.1371(15) 0.135(15) Uiso 0.70(4) 1 d PD H 1
H3S1 H 0.8323 0.3300 0.1358 0.162 Uiso 0.70(4) 1 calc PR H 1
H3S2 H 0.9310 0.3542 0.1299 0.162 Uiso 0.70(4) 1 calc PR H 1
C4S C 0.857(3) 0.389(3) 0.0823(14) 0.28(2) Uiso 0.70(4) 1 d PD H 1
H4S1 H 0.8371 0.4355 0.0992 0.333 Uiso 0.70(4) 1 calc PR H 1
H4S2 H 0.8023 0.3455 0.0624 0.333 Uiso 0.70(4) 1 calc PR H 1
C5S C 0.892(3) 0.401(2) 0.0299(19) 0.29(2) Uiso 1 1 d D . .
H5S1 H 0.9550 0.4088 0.0330 0.351 Uiso 1 1 calc R H 1
H5S2 H 0.8752 0.4410 0.0191 0.351 Uiso 1 1 calc R H 1
C6S C 0.838(3) 0.319(2) -0.0082(19) 0.33(3) Uiso 1 1 d D H .
H6S1 H 0.8568 0.3024 -0.0468 0.489 Uiso 1 1 calc R . .
H6S2 H 0.7765 0.3170 -0.0148 0.489 Uiso 1 1 calc R . .
H6S3 H 0.8438 0.2840 0.0121 0.489 Uiso 1 1 calc R . .
C2SA C 0.903(6) 0.429(3) 0.2008(15) 0.43(4) Uiso 0.30(4) 1 d P H 2
H2S4 H 0.9661 0.4390 0.2051 0.648 Uiso 0.30(4) 1 calc PR H 2
H2S5 H 0.8751 0.3760 0.1971 0.648 Uiso 0.30(4) 1 calc PR H 2
H2S6 H 0.8899 0.4660 0.2360 0.648 Uiso 0.30(4) 1 calc PR H 2
C3SA C 0.871(4) 0.441(3) 0.1462(16) 0.09(2) Uiso 0.30(4) 1 d PD H 2
H3S3 H 0.8143 0.4496 0.1525 0.112 Uiso 0.30(4) 1 calc PR H 2
H3S4 H 0.9104 0.4909 0.1490 0.112 Uiso 0.30(4) 1 calc PR H 2
C4SA C 0.857(3) 0.389(3) 0.0823(14) 0.28(2) Uiso 0.30(4) 1 d PD H 2
H4S3 H 0.7928 0.3719 0.0694 0.333 Uiso 0.30(4) 1 calc PR H 2
H4S4 H 0.8707 0.3421 0.0833 0.333 Uiso 0.30(4) 1 calc PR H 2
Cl1S Cl 0.5557(5) 0.1945(4) 0.1626(4) 0.171(3) Uani 1 1 d . . .
Cl2S Cl 0.4252(6) 0.1964(5) 0.0757(4) 0.174(3) Uani 1 1 d . . .
F1 F 0.6675(7) 0.3828(4) 0.1552(4) 0.090(3) Uani 1 1 d . . .
F2 F 0.7193(9) 0.4427(6) 0.2500(4) 0.115(4) Uani 1 1 d . . .
F3 F 0.5842(9) 0.3934(4) 0.2197(5) 0.135(5) Uani 1 1 d . . .
F4 F 0.9083(6) 0.6398(7) 0.2574(5) 0.114(4) Uani 1 1 d . . .
F5 F 0.9311(5) 0.7484(5) 0.3280(5) 0.111(4) Uani 1 1 d . . .
F6 F 0.9498(4) 0.6517(5) 0.3476(5) 0.085(3) Uani 1 1 d . . .
F7 F 0.8180(4) 0.5247(4) 0.3839(4) 0.065(2) Uani 1 1 d . . .
F8 F 0.7725(4) 0.4545(4) 0.4341(3) 0.0559(18) Uani 1 1 d . . .
F9 F 0.7889(5) 0.5770(4) 0.4708(4) 0.069(2) Uani 1 1 d . . .
F10 F 0.6365(5) 0.5452(4) 0.5310(3) 0.0622(19) Uani 1 1 d . . .
F11 F 0.6601(6) 0.6578(4) 0.6013(3) 0.074(2) Uani 1 1 d . . .
F12 F 0.5309(5) 0.5859(4) 0.5599(3) 0.0571(18) Uani 1 1 d . . .
F13 F 0.6789(4) 1.0232(3) 0.5610(3) 0.0471(16) Uani 1 1 d . . .
F14 F 0.6144(4) 0.9467(3) 0.6026(3) 0.0466(15) Uani 1 1 d . . .
F15 F 0.5420(4) 0.9596(3) 0.5306(3) 0.0483(16) Uani 1 1 d . . .
F16 F 0.3751(6) 0.6269(4) 0.5229(4) 0.080(3) Uani 1 1 d . . .
F17 F 0.4786(7) 0.7274(5) 0.5816(4) 0.085(3) Uani 1 1 d . . .
F18 F 0.3443(7) 0.7263(5) 0.5806(4) 0.107(4) Uani 1 1 d . . .
F19 F 0.4020(5) 0.7327(4) 0.0926(3) 0.065(2) Uani 1 1 d . . .
F20 F 0.3632(4) 0.6088(4) 0.0544(3) 0.0619(19) Uani 1 1 d . . .
F21 F 0.4566(5) 0.6747(4) 0.0188(3) 0.0588(18) Uani 1 1 d . . .
F22 F 0.3314(5) 0.3760(4) 0.0519(3) 0.073(2) Uani 1 1 d . . .
F23 F 0.4392(5) 0.4510(4) 0.0334(3) 0.064(2) Uani 1 1 d . . .
F24 F 0.4629(5) 0.3895(4) 0.0892(3) 0.067(2) Uani 1 1 d . . .
F28 F 0.1766(6) 0.4702(6) 0.2935(5) 0.106(3) Uani 1 1 d . . .
F29 F 0.1828(5) 0.4383(5) 0.3686(5) 0.103(3) Uani 1 1 d . . .
F30 F 0.1296(5) 0.5291(5) 0.3696(6) 0.114(4) Uani 1 1 d . . .
F31 F 0.1311(5) 0.6902(6) 0.3534(6) 0.120(4) Uani 1 1 d . . .
F32 F 0.1378(5) 0.8019(5) 0.4150(4) 0.086(3) Uani 1 1 d . . .
F33 F 0.2008(7) 0.7273(7) 0.4373(5) 0.114(4) Uani 1 1 d . . .
F37 F 0.6903(7) -0.4323(4) 0.0925(4) 0.113(4) Uani 1 1 d . . .
F38 F 0.7714(5) -0.4416(4) 0.0261(3) 0.066(2) Uani 1 1 d . . .
F39 F 0.8237(10) -0.4103(6) 0.1177(4) 0.140(5) Uani 1 1 d . . .
F40 F 1.0966(5) -0.1529(5) 0.1671(4) 0.079(2) Uani 1 1 d . . .
F41 F 1.0210(6) -0.2682(6) 0.1093(4) 0.099(3) Uani 1 1 d . . .
F42 F 1.1026(6) -0.2483(6) 0.1916(4) 0.093(3) Uani 1 1 d . . .
F43 F 0.8580(5) -0.2574(5) -0.0608(3) 0.075(2) Uani 1 1 d . . .
F44 F 0.9123(5) -0.3078(4) -0.0080(3) 0.069(2) Uani 1 1 d . . .
F45 F 0.9907(5) -0.2545(4) -0.0591(4) 0.084(3) Uani 1 1 d . . .
F46 F 0.8689(5) 0.0116(4) -0.0376(3) 0.0616(19) Uani 1 1 d . . .
F47 F 0.7654(5) -0.0870(5) -0.0972(3) 0.076(2) Uani 1 1 d . . .
F48 F 0.8899(5) -0.0992(5) -0.0710(3) 0.072(2) Uani 1 1 d . . .
F49 F 0.4761(5) -0.0114(5) 0.1176(5) 0.095(3) Uani 1 1 d . . .
F50 F 0.3949(4) -0.1269(5) 0.0660(4) 0.072(2) Uani 1 1 d . . .
F51 F 0.4678(5) -0.0588(6) 0.0226(5) 0.101(4) Uani 1 1 d . . .
F52 F 0.7243(5) 0.1832(4) 0.0533(4) 0.075(2) Uani 1 1 d . . .
F53 F 0.7216(5) 0.0651(4) 0.0061(3) 0.0635(19) Uani 1 1 d . . .
F54 F 0.8391(5) 0.1469(5) 0.0616(4) 0.074(2) Uani 1 1 d . . .
F55 F 0.7989(4) -0.0004(4) 0.4728(3) 0.0510(16) Uani 1 1 d . . .
F56 F 0.9369(4) 0.0355(3) 0.4794(3) 0.0469(15) Uani 1 1 d . . .
F57 F 0.8761(4) -0.0608(4) 0.5033(3) 0.0495(16) Uani 1 1 d . . .
F58 F 1.1924(4) 0.0270(4) 0.3825(3) 0.0600(19) Uani 1 1 d . . .
F59 F 1.1072(6) -0.0784(5) 0.3866(5) 0.095(3) Uani 1 1 d . . .
F60 F 1.1407(5) -0.0737(7) 0.3040(5) 0.134(5) Uani 1 1 d . . .
F64 F 0.9987(7) 0.3174(4) 0.2445(5) 0.102(3) Uani 1 1 d . . .
F65 F 1.0752(8) 0.2537(5) 0.2723(5) 0.126(4) Uani 1 1 d . . .
F66 F 1.0823(7) 0.2657(5) 0.1901(5) 0.105(3) Uani 1 1 d . . .
F67 F 0.7176(6) 0.3339(4) 0.3100(4) 0.084(3) Uani 1 1 d . . .
F68 F 0.8482(7) 0.3255(4) 0.3244(5) 0.099(3) Uani 1 1 d . . .
F69 F 0.7757(7) 0.2799(4) 0.2356(4) 0.093(3) Uani 1 1 d . . .
F70 F 0.6991(9) 0.1182(5) 0.4395(4) 0.125(4) Uani 1 1 d . . .
F71 F 0.5845(7) 0.0832(7) 0.3905(5) 0.115(4) Uani 1 1 d . . .
F72 F 0.6213(5) 0.0046(4) 0.4239(4) 0.074(2) Uani 1 1 d . . .
F25A F 0.2337(15) 0.3425(14) 0.1663(11) 0.101(9) Uiso 0.407(15) 1 d PD D 1
F26A F 0.2586(13) 0.2508(8) 0.1897(8) 0.052(5) Uiso 0.407(15) 1 d PD D 1
F27A F 0.3519(13) 0.3199(11) 0.1594(9) 0.073(7) Uiso 0.407(15) 1 d PD D 1
F34A F 0.3622(13) 0.9224(11) 0.2730(9) 0.076(6) Uiso 0.480(19) 1 d PD E 1
F35A F 0.3162(16) 0.8229(15) 0.2026(12) 0.119(9) Uiso 0.480(19) 1 d PD E 1
F36A F 0.4495(12) 0.9017(9) 0.2090(7) 0.057(5) Uiso 0.480(19) 1 d PD E 1
F61A F 1.2242(15) 0.1617(14) 0.3187(10) 0.123(8) Uiso 0.517(17) 1 d PD F 1
F62A F 1.2958(9) 0.1201(10) 0.2362(7) 0.070(5) Uiso 0.517(17) 1 d PD F 1
F63A F 1.2232(12) 0.0489(12) 0.2764(9) 0.096(7) Uiso 0.517(17) 1 d PD F 1
F25B F 0.2993(9) 0.3239(7) 0.1542(5) 0.064(4) Uiso 0.593(15) 1 d PD D 2
F26B F 0.2966(10) 0.2495(6) 0.2077(6) 0.064(4) Uiso 0.593(15) 1 d PD D 2
F27B F 0.4112(8) 0.3301(9) 0.2066(7) 0.091(5) Uiso 0.593(15) 1 d PD D 2
F34B F 0.3220(11) 0.8809(12) 0.2474(9) 0.087(6) Uiso 0.520(19) 1 d PD E 2
F35B F 0.4475(14) 0.9446(10) 0.2870(9) 0.111(8) Uiso 0.520(19) 1 d PD E 2
F36B F 0.4051(16) 0.8736(13) 0.1881(9) 0.102(7) Uiso 0.520(19) 1 d PD E 2
F61B F 1.2055(16) 0.2218(14) 0.3044(11) 0.129(10) Uiso 0.483(17) 1 d PD F 2
F62B F 1.2264(13) 0.1054(14) 0.3079(10) 0.092(7) Uiso 0.483(17) 1 d PD F 2
F63B F 1.2919(16) 0.1747(17) 0.2654(12) 0.127(9) Uiso 0.483(17) 1 d PD F 2
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 P2 2.194(2) . ?
Rh1 P1 2.284(2) . ?
Rh1 P3 2.291(2) . ?
Rh1 Cl2 2.438(2) . ?
Rh1 Cl1 2.520(2) . ?
Rh1 Rh2 2.8646(10) . ?
Rh2 C28 1.970(11) . ?
Rh2 P5 2.243(2) . ?
Rh2 P6 2.264(2) . ?
Rh2 P4 2.279(2) . ?
Rh3 P8 2.191(2) . ?
Rh3 P7 2.271(2) . ?
Rh3 P9 2.292(3) . ?
Rh3 Cl4 2.440(2) . ?
Rh3 Cl3 2.498(2) . ?
Rh3 Rh4 2.8630(10) . ?
Rh4 C60 1.948(11) . ?
Rh4 P11 2.245(2) . ?
Rh4 P12 2.250(3) . ?
Rh4 P10 2.262(2) . ?
P1 O2 1.621(6) . ?
P1 O1 1.629(6) . ?
P1 C1 1.795(9) . ?
P2 O4 1.605(6) . ?
P2 O3 1.609(6) . ?
P2 C2 1.805(9) . ?
P3 O6 1.608(6) . ?
P3 O5 1.613(7) . ?
P3 C3 1.811(9) . ?
P4 O7 1.627(6) . ?
P4 O8 1.644(6) . ?
P4 C1 1.825(9) . ?
P5 O10 1.629(7) . ?
P5 O9 1.632(7) . ?
P5 C2 1.810(10) . ?
P6 O12 1.619(7) . ?
P6 O11 1.640(7) . ?
P6 C3 1.821(9) . ?
P7 O14 1.616(6) . ?
P7 O13 1.616(6) . ?
P7 C33 1.809(9) . ?
P8 O16 1.600(7) . ?
P8 O15 1.616(7) . ?
P8 C34 1.801(10) . ?
P9 O17 1.602(7) . ?
P9 O18 1.602(7) . ?
P9 C35 1.831(9) . ?
P10 O19 1.620(6) . ?
P10 O20 1.642(7) . ?
P10 C33 1.811(9) . ?
P11 O21 1.624(7) . ?
P11 O22 1.632(7) . ?
P11 C34 1.824(9) . ?
P12 O24 1.635(7) . ?
P12 O23 1.638(7) . ?
P12 C35 1.815(10) . ?
O1 C4 1.444(11) . ?
O2 C6 1.428(12) . ?
O3 C8 1.429(11) . ?
O4 C10 1.443(12) . ?
O5 C12 1.429(11) . ?
O6 C14 1.449(11) . ?
O7 C16 1.423(11) . ?
O8 C18 1.433(11) . ?
O9 C20 1.426(12) . ?
O10 C22 1.408(13) . ?
O11 C24 1.436(12) . ?
O12 C26 1.375(14) . ?
O13 C36 1.438(11) . ?
O14 C38 1.443(12) . ?
O15 C40 1.436(11) . ?
O16 C42 1.445(12) . ?
O17 C44 1.443(11) . ?
O18 C46 1.454(12) . ?
O19 C48 1.421(11) . ?
O20 C50 1.422(11) . ?
O21 C52 1.439(13) . ?
O22 C54 1.406(13) . ?
O23 C56 1.444(12) . ?
O24 C58 1.395(12) . ?
N1 C28 1.123(12) . ?
N1 C29 1.443(15) . ?
N2 C60 1.153(12) . ?
N2 C61 1.437(14) . ?
C4 C5 1.473(16) . ?
C5 F3 1.289(16) . ?
C5 F1 1.342(14) . ?
C5 F2 1.353(18) . ?
C6 C7 1.485(15) . ?
C7 F4 1.283(17) . ?
C7 F5 1.341(15) . ?
C7 F6 1.363(14) . ?
C8 C9 1.474(15) . ?
C9 F9 1.320(14) . ?
C9 F7 1.344(13) . ?
C9 F8 1.345(11) . ?
C10 C11 1.495(14) . ?
C11 F11 1.325(13) . ?
C11 F12 1.336(13) . ?
C11 F10 1.342(13) . ?
C12 C13 1.506(13) . ?
C13 F14 1.319(12) . ?
C13 F15 1.346(11) . ?
C13 F13 1.348(11) . ?
C14 C15 1.508(18) . ?
C15 F16 1.325(15) . ?
C15 F18 1.328(14) . ?
C15 F17 1.337(18) . ?
C16 C17 1.478(15) . ?
C17 F19 1.329(12) . ?
C17 F21 1.337(12) . ?
C17 F20 1.341(12) . ?
C18 C19 1.518(15) . ?
C19 F22 1.318(14) . ?
C19 F23 1.332(14) . ?
C19 F24 1.342(14) . ?
C20 C21B 1.473(9) . ?
C20 C21A 1.499(10) . ?
C22 C23 1.461(19) . ?
C23 F29 1.288(16) . ?
C23 F30 1.327(15) . ?
C23 F28 1.379(19) . ?
C24 C25 1.459(17) . ?
C25 F31 1.275(16) . ?
C25 F33 1.332(16) . ?
C25 F32 1.337(14) . ?
C26 C27B 1.391(19) . ?
C26 C27A 1.44(5) . ?
C29 C32 1.473(19) . ?
C29 C31 1.52(2) . ?
C29 C30 1.537(18) . ?
C36 C37 1.464(15) . ?
C37 F39 1.305(16) . ?
C37 F38 1.323(13) . ?
C37 F37 1.350(16) . ?
C38 C39 1.498(15) . ?
C39 F42 1.327(14) . ?
C39 F40 1.330(16) . ?
C39 F41 1.346(17) . ?
C40 C41 1.510(15) . ?
C41 F43 1.302(15) . ?
C41 F45 1.331(12) . ?
C41 F44 1.341(14) . ?
C42 C43 1.498(14) . ?
C43 F46 1.323(14) . ?
C43 F47 1.329(14) . ?
C43 F48 1.366(14) . ?
C44 C45 1.501(16) . ?
C45 F51 1.321(16) . ?
C45 F50 1.322(13) . ?
C45 F49 1.332(16) . ?
C46 C47 1.492(15) . ?
C47 F52 1.322(14) . ?
C47 F53 1.336(14) . ?
C47 F54 1.345(14) . ?
C48 C49 1.489(14) . ?
C49 F56 1.327(11) . ?
C49 F57 1.347(11) . ?
C49 F55 1.352(12) . ?
C50 C51 1.519(15) . ?
C51 F60 1.258(14) . ?
C51 F58 1.329(13) . ?
C51 F59 1.355(16) . ?
C52 C53A 1.481(10) . ?
C52 C53B 1.504(10) . ?
C54 C55 1.461(17) . ?
C55 F66 1.299(16) . ?
C55 F64 1.346(16) . ?
C55 F65 1.363(18) . ?
C56 C57 1.502(17) . ?
C57 F68 1.305(17) . ?
C57 F69 1.334(15) . ?
C57 F67 1.371(15) . ?
C58 C59 1.458(14) . ?
C59 F71 1.257(14) . ?
C59 F72 1.316(12) . ?
C59 F70 1.344(16) . ?
C61 C63A 1.40(3) . ?
C61 C63B 1.43(4) . ?
C61 C64B 1.43(3) . ?
C61 C64A 1.509(10) . ?
C61 C62B 1.510(10) . ?
C61 C62A 1.53(3) . ?
C21A F25A 1.318(10) . ?
C21A F27A 1.322(10) . ?
C21A F26A 1.328(10) . ?
C27A F35A 1.32(2) . ?
C27A F34A 1.32(2) . ?
C27A F36A 1.33(2) . ?
C53A F63A 1.308(17) . ?
C53A F62A 1.350(17) . ?
C53A F61A 1.382(18) . ?
C21B F27B 1.308(9) . ?
C21B F25B 1.321(9) . ?
C21B F26B 1.327(9) . ?
C27B F34B 1.311(16) . ?
C27B F36B 1.338(17) . ?
C27B F35B 1.347(16) . ?
C53B F61B 1.293(18) . ?
C53B F63B 1.325(18) . ?
C53B F62B 1.375(18) . ?
C1S Cl1S 1.72(3) . ?
C1S Cl2S 1.75(3) . ?
C2S C3S 1.492(11) . ?
C3S C4S 1.493(10) . ?
C4S C5S 1.495(10) . ?
C5S C6S 1.502(10) . ?
