#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:26:15 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/26/4062627.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_4062627
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om034363u
_journal_year                    2004
_chemical_formula_moiety         'C29 H47 P2 Rh '
_chemical_formula_sum            'C29 H47 P2 Rh'
_chemical_formula_weight         560.54
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                98.4(5)
_cell_angle_beta                 95.920(12)
_cell_angle_gamma                101.5(3)
_cell_formula_units_Z            2
_cell_length_a                   8.86(10)
_cell_length_b                   9.0(2)
_cell_length_c                   18.3(2)
_cell_measurement_temperature    173.0
_cell_volume                     1393.7(34)
_exptl_crystal_density_diffrn    1.336
_cod_original_formula_sum        'C29 H47 P2 Rh '
_cod_database_code               4062627
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
Rh(1) Rh 0.39934(13) 0.38003(13) 0.26497(6) 0.0238(3) Uani 1.00 1 d . . .
P(1) P 0.2374(4) 0.4209(4) 0.3462(2) 0.0255(9) Uani 1.00 1 d . . .
P(2) P 0.1888(4) 0.2809(4) 0.1805(2) 0.0249(8) Uani 1.00 1 d . . .
C(1) C 0.573(2) 0.887(2) 0.2666(8) 0.037(4) Uani 1.00 1 d . . .
H(1A1) H 0.4929 0.8561 0.2251 0.0450 Uiso 1.00 1 c . . .
C(2) C 0.584(2) 1.024(2) 0.3143(10) 0.047(5) Uani 1.00 1 d . . .
H(2A1) H 0.5116 1.0872 0.3054 0.0570 Uiso 1.00 1 c . . .
C(3) C 0.698(2) 1.069(2) 0.3742(9) 0.045(5) Uani 1.00 1 d . . .
H(3A1) H 0.7049 1.1637 0.4070 0.0540 Uiso 1.00 1 c . . .
C(4) C 0.808(2) 0.977(2) 0.3881(9) 0.044(4) Uani 1.00 1 d . . .
H(4A1) H 0.8890 1.0077 0.4292 0.0530 Uiso 1.00 1 c . . .
C(5) C 0.791(2) 0.838(2) 0.3377(8) 0.037(4) Uani 1.00 1 d . . .
H(5A1) H 0.8615 0.7731 0.3460 0.0450 Uiso 1.00 1 c . . .
C(6) C 0.677(2) 0.791(1) 0.2781(7) 0.027(3) Uani 1.00 1 d . . .
C(7) C 0.658(1) 0.641(2) 0.2256(7) 0.026(3) Uani 1.00 1 d . . .
C(8) C 0.6399(13) 0.497(1) 0.2566(7) 0.022(3) Uani 1.00 1 d . . .
C(9) C 0.617(2) 0.360(2) 0.2037(8) 0.035(4) Uani 1.00 1 d . . .
H(9A1) H 0.6725 0.2845 0.2231 0.0420 Uiso 1.00 1 c . . .
C(10) C 0.625(2) 0.358(2) 0.1272(8) 0.033(4) Uani 1.00 1 d . . .
C(11) C 0.649(2) 0.495(2) 0.1006(8) 0.034(4) Uani 1.00 1 d . . .
H(11A1) H 0.6572 0.4950 0.0491 0.0400 Uiso 1.00 1 c . . .
C(12) C 0.661(2) 0.638(2) 0.1508(8) 0.034(4) Uani 1.00 1 d . . .
C(13) C 0.622(2) 0.484(1) 0.3325(7) 0.026(3) Uani 1.00 1 d . . .
H(13A1) H 0.6276 0.5823 0.3667 0.0310 Uiso 1.00 1 c . . .
H(13B1) H 0.6779 0.4133 0.3551 0.0310 Uiso 1.00 1 c . . .
C(14) C 0.682(2) 0.782(2) 0.1139(9) 0.041(4) Uani 1.00 1 d . . .
H(14A1) H 0.7499 0.8693 0.1484 0.0620 Uiso 1.00 1 c . . .
H(14B1) H 0.5806 0.8063 0.1014 0.0620 Uiso 1.00 1 c . . .
H(14C1) H 0.7294 0.7626 0.0682 0.0620 Uiso 1.00 1 c . . .
C(15) C 0.615(2) 0.212(2) 0.0752(9) 0.043(4) Uani 1.00 1 d . . .
H(15A1) H 0.5797 0.2241 0.0242 0.0630 Uiso 1.00 1 c . . .
H(15B1) H 0.5416 0.1285 0.0900 0.0630 Uiso 1.00 1 c . . .
H(15C1) H 0.7181 0.1865 0.0770 0.0630 Uiso 1.00 1 c . . .
C(16) C 0.227(2) 0.625(2) 0.3819(8) 0.034(4) Uani 1.00 1 d . . .
H(16A1) H 0.1405 0.6192 0.4135 0.0410 Uiso 1.00 1 c . . .
C(17) C 0.372(2) 0.716(2) 0.4313(8) 0.041(4) Uani 1.00 1 d . . .
H(17A1) H 0.3561 0.8173 0.4523 0.0610 Uiso 1.00 1 c . . .
H(17B1) H 0.4587 0.7284 0.4018 0.0610 Uiso 1.00 1 c . . .
H(17C1) H 0.3962 0.6602 0.4719 0.0610 Uiso 1.00 1 c . . .
C(18) C 0.184(2) 0.711(2) 0.3190(9) 0.046(5) Uani 1.00 1 d . . .
H(18A1) H 0.1915 0.8196 0.3398 0.0690 Uiso 1.00 1 c . . .
H(18B1) H 0.0782 0.6643 0.2948 0.0690 Uiso 1.00 1 c . . .
H(18C1) H 0.2568 0.7043 0.2822 0.0690 Uiso 1.00 1 c . . .
C(19) C 0.255(2) 0.339(2) 0.4337(7) 0.030(4) Uani 1.00 1 d . . .
H(19A1) H 0.3574 0.3952 0.4632 0.0360 Uiso 1.00 1 c . . .
C(20) C 0.263(2) 0.171(2) 0.4177(8) 0.042(5) Uani 1.00 1 d . . .
H(20A1) H 0.2926 0.1363 0.4646 0.0630 Uiso 1.00 1 c . . .
H(20B1) H 0.3400 0.1575 0.3839 0.0630 Uiso 1.00 1 c . . .
H(20C1) H 0.1607 0.1089 0.3942 0.0630 Uiso 1.00 1 c . . .
C(21) C 0.130(2) 0.359(2) 0.4843(8) 0.035(4) Uani 1.00 1 d . . .
H(21A1) H 0.1502 0.3140 0.5291 0.0530 Uiso 1.00 1 c . . .
H(21B1) H 0.0277 0.3072 0.4572 0.0530 Uiso 1.00 1 c . . .
H(21C1) H 0.1335 0.4695 0.4989 0.0530 Uiso 1.00 1 c . . .
C(22) C 0.033(2) 0.336(2) 0.3048(8) 0.035(4) Uani 1.00 1 d . . .
H(22A1) H 0.0019 0.2312 0.3175 0.0420 Uiso 1.00 1 c . . .
H(22B1) H -0.0353 0.4000 0.3264 0.0420 Uiso 1.00 1 c . . .
C(23) C 0.012(2) 0.324(2) 0.2194(8) 0.031(4) Uani 1.00 1 d . . .
H(23A1) H -0.0073 0.4225 0.2063 0.0380 Uiso 1.00 1 c . . .
H(23B1) H -0.0800 0.2412 0.1970 0.0380 Uiso 1.00 1 c . . .
C(24) C 0.123(2) 0.070(2) 0.1457(8) 0.032(4) Uani 1.00 1 d . . .
H(24A1) H 0.0236 0.0529 0.1114 0.0390 Uiso 1.00 1 c . . .
C(25) C 0.091(2) -0.021(2) 0.2092(8) 0.041(5) Uani 1.00 1 d . . .
H(25A1) H 0.0562 -0.1308 0.1886 0.0610 Uiso 1.00 1 c . . .
H(25B1) H 0.0107 0.0153 0.2353 0.0610 Uiso 1.00 1 c . . .
H(25C1) H 0.1870 -0.0042 0.2443 0.0610 Uiso 1.00 1 c . . .
C(26) C 0.239(2) 0.004(2) 0.1016(9) 0.041(4) Uani 1.00 1 d . . .
H(26A1) H 0.1972 -0.1067 0.0832 0.0620 Uiso 1.00 1 c . . .
H(26B1) H 0.3376 0.0177 0.1340 0.0620 Uiso 1.00 1 c . . .
H(26C1) H 0.2560 0.0574 0.0591 0.0620 Uiso 1.00 1 c . . .
C(27) C 0.187(2) 0.364(2) 0.0932(7) 0.031(4) Uani 1.00 1 d . . .
H(27A1) H 0.2734 0.3334 0.0677 0.0370 Uiso 1.00 1 c . . .
C(28) C 0.042(2) 0.308(2) 0.0372(8) 0.042(5) Uani 1.00 1 d . . .
H(28A1) H 0.0580 0.3523 -0.0082 0.0620 Uiso 1.00 1 c . . .
H(28B1) H -0.0454 0.3406 0.0585 0.0620 Uiso 1.00 1 c . . .
H(28C1) H 0.0204 0.1953 0.0249 0.0620 Uiso 1.00 1 c . . .
C(29) C 0.229(2) 0.543(2) 0.1130(8) 0.043(5) Uani 1.00 1 d . . .
H(29A1) H 0.2526 0.5865 0.0683 0.0650 Uiso 1.00 1 c . . .
H(29B1) H 0.3197 0.5756 0.1517 0.0650 Uiso 1.00 1 c . . .
H(29C1) H 0.1406 0.5798 0.1316 0.0650 Uiso 1.00 1 c . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Rh(1) P(1) 2.210(4) yes . .
Rh(1) P(2) 2.234(3) yes . .
Rh(1) C(8) 2.21(1) yes . .
Rh(1) C(9) 2.35(2) yes . .
Rh(1) C(13) 2.17(1) yes . .
P(1) C(16) 1.87(1) yes . .
P(1) C(19) 1.86(1) yes . .
P(1) C(22) 1.85(1) yes . .
P(2) C(23) 1.87(1) yes . .
P(2) C(24) 1.86(1) yes . .
P(2) C(27) 1.86(1) yes . .
C(1) C(2) 1.38(2) yes . .
C(1) C(6) 1.40(2) yes . .
C(2) C(3) 1.36(2) yes . .
C(3) C(4) 1.43(3) yes . .
C(4) C(5) 1.41(2) yes . .
C(5) C(6) 1.36(2) yes . .
C(6) C(7) 1.50(2) yes . .
C(7) C(8) 1.48(2) yes . .
C(7) C(12) 1.37(2) yes . .
C(8) C(9) 1.41(2) yes . .
C(8) C(13) 1.43(2) yes . .
C(9) C(10) 1.40(2) yes . .
C(10) C(11) 1.37(2) yes . .
C(10) C(15) 1.48(2) yes . .
C(11) C(12) 1.45(2) yes . .
C(12) C(14) 1.53(2) yes . .
C(16) C(17) 1.51(2) yes . .
C(16) C(18) 1.53(2) yes . .
C(19) C(20) 1.51(2) yes . .
C(19) C(21) 1.54(2) yes . .
C(22) C(23) 1.54(2) yes . .
C(24) C(25) 1.53(2) yes . .
C(24) C(26) 1.52(2) yes . .
C(27) C(28) 1.50(2) yes . .
C(27) C(29) 1.55(2) yes . .
