# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
S.Timpa
C.Fafard
D.Herbert
O.Ozerov
_publ_contact_author_name        O.Ozerov
_publ_contact_author_email       ozerov@chem.tamu.edu

data_oz230_sdt166
_database_code_depnum_ccdc_archive 'CCDC 807205'
#TrackingRef '- oz230_sdt166.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            (POCOP)Rh(H)Cl
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H32 Cl O2 P2 Rh'
_chemical_formula_sum            'C18 H32 Cl O2 P2 Rh'
_chemical_formula_weight         480.74

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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.035(3)
_cell_length_b                   12.024(4)
_cell_length_c                   23.036(7)
_cell_angle_alpha                87.162(3)
_cell_angle_beta                 82.962(3)
_cell_angle_gamma                79.823(3)
_cell_volume                     2173.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9991
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      29.51

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             992
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7286
_exptl_absorpt_correction_T_max  0.8622
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23594
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9854
_reflns_number_gt                9079
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0152P)^2^+2.1126P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9854
_refine_ls_number_parameters     455
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0599
_refine_ls_wR_factor_gt          0.0584
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.4181(2) 0.17430(16) 0.13691(8) 0.0178(4) Uani 1 1 d . . .
C2 C 0.4299(2) 0.09718(16) 0.09272(8) 0.0183(4) Uani 1 1 d . . .
C3 C 0.5307(3) -0.00898(16) 0.09325(8) 0.0225(4) Uani 1 1 d . . .
H3 H 0.5369 -0.0591 0.0621 0.027 Uiso 1 1 calc R . .
C4 C 0.6225(3) -0.04012(17) 0.14070(9) 0.0244(4) Uani 1 1 d . . .
H4 H 0.6917 -0.1127 0.1420 0.029 Uiso 1 1 calc R . .
C5 C 0.6149(3) 0.03323(16) 0.18648(8) 0.0228(4) Uani 1 1 d . . .
H5 H 0.6781 0.0113 0.2187 0.027 Uiso 1 1 calc R . .
C6 C 0.5128(2) 0.13894(16) 0.18380(8) 0.0191(4) Uani 1 1 d . . .
C7 C 0.3261(3) 0.31915(18) -0.02148(9) 0.0263(4) Uani 1 1 d . . .
H7 H 0.3216 0.2683 -0.0541 0.032 Uiso 1 1 calc R . .
C8 C 0.5125(3) 0.3236(2) -0.01546(13) 0.0469(7) Uani 1 1 d . . .
H8A H 0.5674 0.3505 -0.0525 0.070 Uiso 1 1 calc R . .
H8B H 0.5714 0.2478 -0.0056 0.070 Uiso 1 1 calc R . .
H8C H 0.5179 0.3752 0.0156 0.070 Uiso 1 1 calc R . .
C9 C 0.2255(3) 0.43644(19) -0.03444(10) 0.0339(5) Uani 1 1 d . . .
H9A H 0.2143 0.4833 -0.0001 0.051 Uiso 1 1 calc R . .
H9B H 0.1120 0.4290 -0.0436 0.051 Uiso 1 1 calc R . .
H9C H 0.2856 0.4720 -0.0679 0.051 Uiso 1 1 calc R . .
C10 C 0.0173(3) 0.23941(19) 0.03483(9) 0.0266(4) Uani 1 1 d . . .
H10 H -0.0554 0.3157 0.0322 0.032 Uiso 1 1 calc R . .
C11 C 0.0155(3) 0.1794(2) -0.02232(11) 0.0392(6) Uani 1 1 d . . .
H11A H 0.0944 0.1072 -0.0226 0.059 Uiso 1 1 calc R . .
H11B H 0.0507 0.2271 -0.0557 0.059 Uiso 1 1 calc R . .
H11C H -0.0997 0.1655 -0.0252 0.059 Uiso 1 1 calc R . .
C12 C -0.0611(4) 0.1747(3) 0.08669(12) 0.0477(7) Uani 1 1 d . . .
H12A H -0.1788 0.1703 0.0813 0.072 Uiso 1 1 calc R . .
H12B H -0.0597 0.2141 0.1228 0.072 Uiso 1 1 calc R . .
H12C H 0.0049 0.0983 0.0893 0.072 Uiso 1 1 calc R . .
C13 C 0.4956(3) 0.43862(18) 0.23772(9) 0.0251(4) Uani 1 1 d . . .
H13 H 0.4168 0.5129 0.2409 0.030 Uiso 1 1 calc R . .
C14 C 0.6275(5) 0.4491(4) 0.18561(13) 0.0854(15) Uani 1 1 d . . .
H14A H 0.6966 0.5049 0.1935 0.128 Uiso 1 1 calc R . .
H14B H 0.5700 0.4735 0.1508 0.128 Uiso 1 1 calc R . .
H14C H 0.7010 0.3756 0.1788 0.128 Uiso 1 1 calc R . .
C15 C 0.5771(3) 0.41821(18) 0.29425(9) 0.0262(4) Uani 1 1 d . . .
H15A H 0.6512 0.3441 0.2936 0.039 Uiso 1 1 calc R . .
H15B H 0.4881 0.4202 0.3275 0.039 Uiso 1 1 calc R . .
H15C H 0.6448 0.4772 0.2981 0.039 Uiso 1 1 calc R . .
C16 C 0.2091(3) 0.32915(17) 0.28625(8) 0.0221(4) Uani 1 1 d . . .
H16 H 0.2644 0.3334 0.3225 0.027 Uiso 1 1 calc R . .
C17 C 0.1390(4) 0.2194(3) 0.28887(14) 0.0583(9) Uani 1 1 d . . .
H17A H 0.0512 0.2196 0.3224 0.087 Uiso 1 1 calc R . .
H17B H 0.2314 0.1554 0.2932 0.087 Uiso 1 1 calc R . .
H17C H 0.0894 0.2123 0.2527 0.087 Uiso 1 1 calc R . .
C18 C 0.0694(3) 0.4321(2) 0.28269(11) 0.0446(7) Uani 1 1 d . . .
H18A H 0.0184 0.4314 0.2462 0.067 Uiso 1 1 calc R . .
H18B H 0.1182 0.5011 0.2835 0.067 Uiso 1 1 calc R . .
H18C H -0.0184 0.4301 0.3161 0.067 Uiso 1 1 calc R . .
C19 C 0.1419(2) 0.09380(14) 0.62296(7) 0.0139(3) Uani 1 1 d . . .
C20 C 0.2756(2) 0.06012(14) 0.57925(7) 0.0144(3) Uani 1 1 d . . .
C21 C 0.3848(2) -0.04275(15) 0.58116(8) 0.0178(3) Uani 1 1 d . . .
H21 H 0.4730 -0.0638 0.5503 0.021 Uiso 1 1 calc R . .
C22 C 0.3610(2) -0.11440(15) 0.62985(8) 0.0194(4) Uani 1 1 d . . .
H22 H 0.4351 -0.1850 0.6322 0.023 Uiso 1 1 calc R . .
C23 C 0.2313(2) -0.08503(15) 0.67513(8) 0.0172(3) Uani 1 1 d . . .
H23 H 0.2168 -0.1343 0.7082 0.021 Uiso 1 1 calc R . .
C24 C 0.1238(2) 0.01819(15) 0.67064(7) 0.0146(3) Uani 1 1 d . . .
C25 C 0.2861(3) 0.36123(16) 0.52306(9) 0.0214(4) Uani 1 1 d . . .
H25 H 0.2129 0.4324 0.5106 0.026 Uiso 1 1 calc R . .
C26 C 0.4392(3) 0.33725(19) 0.47665(12) 0.0353(5) Uani 1 1 d . . .
H26A H 0.5009 0.4011 0.4732 0.053 Uiso 1 1 calc R . .
H26B H 0.4003 0.3266 0.4389 0.053 Uiso 1 1 calc R . .
H26C H 0.5150 0.2686 0.4879 0.053 Uiso 1 1 calc R . .
C27 C 0.3374(4) 0.3812(2) 0.58301(12) 0.0473(7) Uani 1 1 d . . .
H27A H 0.4031 0.3112 0.5978 0.071 Uiso 1 1 calc R . .
H27B H 0.2350 0.4042 0.6103 0.071 Uiso 1 1 calc R . .
H27C H 0.4071 0.4409 0.5793 0.071 Uiso 1 1 calc R . .
C28 C 0.0783(2) 0.24119(15) 0.46032(8) 0.0191(4) Uani 1 1 d . . .
H28 H 0.1773 0.2351 0.4291 0.023 Uiso 1 1 calc R . .
C29 C -0.0488(3) 0.34788(17) 0.44769(9) 0.0253(4) Uani 1 1 d . . .
H29A H -0.1037 0.3367 0.4132 0.038 Uiso 1 1 calc R . .
H29B H 0.0114 0.4122 0.4403 0.038 Uiso 1 1 calc R . .
H29C H -0.1354 0.3630 0.4815 0.038 Uiso 1 1 calc R . .
C30 C -0.0014(3) 0.13476(18) 0.46042(11) 0.0342(5) Uani 1 1 d . . .
H30A H -0.0992 0.1398 0.4907 0.051 Uiso 1 1 calc R . .
H30B H 0.0832 0.0683 0.4686 0.051 Uiso 1 1 calc R . .
H30C H -0.0392 0.1280 0.4221 0.051 Uiso 1 1 calc R . .
C31 C -0.1085(2) 0.24232(16) 0.77392(8) 0.0198(4) Uani 1 1 d . . .
H31 H -0.1871 0.3168 0.7747 0.024 Uiso 1 1 calc R . .
C32 C 0.0725(3) 0.26573(18) 0.77288(11) 0.0306(5) Uani 1 1 d . . .
H32A H 0.0811 0.3058 0.8081 0.046 Uiso 1 1 calc R . .
H32B H 0.1001 0.3124 0.7381 0.046 Uiso 1 1 calc R . .
H32C H 0.1527 0.1940 0.7717 0.046 Uiso 1 1 calc R . .
C33 C -0.1602(3) 0.1746(2) 0.82909(9) 0.0310(5) Uani 1 1 d . . .
H33A H -0.0847 0.1011 0.8297 0.047 Uiso 1 1 calc R . .
H33B H -0.2780 0.1630 0.8292 0.047 Uiso 1 1 calc R . .
H33C H -0.1511 0.2162 0.8638 0.047 Uiso 1 1 calc R . .
C34 C -0.3390(3) 0.13980(18) 0.71371(9) 0.0257(4) Uani 1 1 d . . .
H34 H -0.3515 0.0866 0.7481 0.031 Uiso 1 1 calc R . .
C35 C -0.3670(4) 0.0823(2) 0.65907(13) 0.0508(7) Uani 1 1 d . . .
H35A H -0.4771 0.0566 0.6653 0.076 Uiso 1 1 calc R . .
H35B H -0.2759 0.0172 0.6511 0.076 Uiso 1 1 calc R . .
H35C H -0.3658 0.1360 0.6257 0.076 Uiso 1 1 calc R . .
C36 C -0.4708(3) 0.2474(2) 0.72456(11) 0.0331(5) Uani 1 1 d . . .
H36A H -0.4455 0.3058 0.6952 0.050 Uiso 1 1 calc R . .
H36B H -0.4665 0.2742 0.7637 0.050 Uiso 1 1 calc R . .
H36C H -0.5847 0.2310 0.7216 0.050 Uiso 1 1 calc R . .
Cl1 Cl 0.16572(10) 0.52417(4) 0.12257(2) 0.04203(16) Uani 1 1 d . . .
Cl2 Cl -0.21110(7) 0.41332(5) 0.60771(3) 0.03744(14) Uani 1 1 d . . .
O1 O 0.33583(18) 0.12861(11) 0.04577(6) 0.0227(3) Uani 1 1 d . . .
O2 O 0.50351(19) 0.21357(12) 0.22913(6) 0.0248(3) Uani 1 1 d . . .
O3 O 0.30014(17) 0.13379(11) 0.53158(6) 0.0185(3) Uani 1 1 d . . .
O4 O -0.00759(17) 0.04796(11) 0.71528(6) 0.0200(3) Uani 1 1 d . . .
P1 P 0.23101(6) 0.26047(4) 0.04663(2) 0.01889(10) Uani 1 1 d . . .
P2 P 0.36922(6) 0.33340(4) 0.22269(2) 0.01800(10) Uani 1 1 d . . .
P3 P 0.15563(6) 0.25055(4) 0.53102(2) 0.01597(9) Uani 1 1 d . . .
P4 P -0.12596(6) 0.17395(4) 0.70623(2) 0.01663(9) Uani 1 1 d . . .
Rh1 Rh 0.280006(19) 0.328232(12) 0.132860(6) 0.01774(4) Uani 1 1 d . . .
H1 H 0.157(3) 0.2544(18) 0.1616(10) 0.021 Uiso 1 1 d . . .
Rh2 Rh -0.016911(17) 0.239918(11) 0.617187(6) 0.01487(4) Uani 1 1 d . . .
H2 H -0.113(3) 0.1559(18) 0.5897(9) 0.018 Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0185(9) 0.0182(9) 0.0151(8) 0.0000(7) -0.0018(7) 0.0009(7)
C2 0.0202(9) 0.0199(9) 0.0142(8) 0.0002(7) -0.0046(7) -0.0004(7)
C3 0.0270(10) 0.0200(9) 0.0189(9) -0.0052(7) -0.0041(8) 0.0023(8)
C4 0.0285(10) 0.0182(9) 0.0236(10) -0.0019(7) -0.0058(8) 0.0060(8)
C5 0.0258(10) 0.0213(9) 0.0196(9) 0.0005(7) -0.0082(8) 0.0037(8)
C6 0.0223(9) 0.0192(9) 0.0147(8) -0.0020(7) -0.0031(7) 0.0003(7)
C7 0.0277(10) 0.0285(11) 0.0199(9) 0.0002(8) 0.0005(8) 0.0001(9)
C8 0.0290(12) 0.0486(16) 0.0616(18) 0.0098(13) 0.0003(12) -0.0091(11)
C9 0.0442(13) 0.0314(12) 0.0219(10) 0.0075(9) -0.0015(9) 0.0011(10)
C10 0.0206(9) 0.0302(11) 0.0272(10) -0.0015(8) -0.0032(8) 0.0013(8)
C11 0.0305(12) 0.0516(15) 0.0391(13) -0.0103(11) -0.0129(10) -0.0082(11)
C12 0.0389(14) 0.0620(18) 0.0413(14) 0.0033(13) 0.0065(11) -0.0153(13)
C13 0.0269(10) 0.0241(10) 0.0260(10) 0.0061(8) -0.0070(8) -0.0083(8)
C14 0.080(2) 0.170(4) 0.0259(14) 0.0160(19) -0.0004(15) -0.085(3)
C15 0.0282(10) 0.0275(10) 0.0248(10) -0.0040(8) -0.0061(8) -0.0074(8)
C16 0.0260(10) 0.0232(9) 0.0185(9) 0.0015(7) -0.0053(8) -0.0068(8)
C17 0.076(2) 0.0497(17) 0.0561(18) -0.0076(14) 0.0139(16) -0.0434(17)
C18 0.0375(13) 0.0587(17) 0.0254(12) 0.0065(11) 0.0076(10) 0.0149(12)
C19 0.0149(8) 0.0130(8) 0.0144(8) -0.0014(6) -0.0037(6) -0.0021(6)
C20 0.0170(8) 0.0127(8) 0.0143(8) -0.0001(6) -0.0035(6) -0.0036(7)
C21 0.0170(8) 0.0154(8) 0.0203(9) -0.0018(7) -0.0012(7) -0.0007(7)
C22 0.0211(9) 0.0128(8) 0.0232(9) 0.0000(7) -0.0042(7) 0.0012(7)
C23 0.0224(9) 0.0134(8) 0.0165(8) 0.0026(6) -0.0060(7) -0.0032(7)
C24 0.0170(8) 0.0147(8) 0.0126(8) -0.0018(6) -0.0033(6) -0.0024(7)
C25 0.0252(10) 0.0135(8) 0.0256(10) -0.0018(7) -0.0057(8) -0.0014(7)
C26 0.0296(11) 0.0215(10) 0.0542(15) -0.0017(10) 0.0071(10) -0.0106(9)
C27 0.0653(18) 0.0388(14) 0.0437(15) -0.0073(11) -0.0312(14) -0.0064(13)
C28 0.0242(9) 0.0163(8) 0.0170(9) 0.0014(7) -0.0029(7) -0.0039(7)
C29 0.0301(11) 0.0227(10) 0.0215(10) 0.0038(8) -0.0067(8) 0.0009(8)
C30 0.0436(13) 0.0228(10) 0.0414(13) 0.0037(9) -0.0161(11) -0.0136(10)
C31 0.0186(9) 0.0200(9) 0.0194(9) -0.0032(7) -0.0012(7) 0.0007(7)
C32 0.0200(10) 0.0249(10) 0.0473(13) -0.0043(9) -0.0084(9) -0.0009(8)
C33 0.0383(12) 0.0383(12) 0.0158(9) -0.0003(8) -0.0021(8) -0.0059(10)
C34 0.0221(10) 0.0262(10) 0.0305(11) 0.0033(8) -0.0073(8) -0.0069(8)
C35 0.0582(18) 0.0450(15) 0.0556(17) -0.0104(13) -0.0341(14) -0.0051(13)
C36 0.0171(10) 0.0367(12) 0.0442(13) 0.0052(10) -0.0016(9) -0.0042(9)
Cl1 0.0784(5) 0.0189(2) 0.0242(3) -0.00276(19) -0.0159(3) 0.0113(3)
Cl2 0.0282(3) 0.0267(3) 0.0454(3) 0.0156(2) 0.0108(2) 0.0131(2)
O1 0.0292(7) 0.0201(7) 0.0178(6) -0.0042(5) -0.0107(6) 0.0052(6)
O2 0.0343(8) 0.0207(7) 0.0176(7) -0.0047(5) -0.0122(6) 0.0074(6)
O3 0.0210(6) 0.0140(6) 0.0167(6) 0.0029(5) 0.0030(5) 0.0025(5)
O4 0.0255(7) 0.0159(6) 0.0150(6) 0.0030(5) 0.0019(5) 0.0021(5)
P1 0.0231(2) 0.0186(2) 0.0137(2) -0.00173(17) -0.00572(18) 0.00279(19)
P2 0.0235(2) 0.0163(2) 0.0138(2) -0.00117(17) -0.00555(18) 0.00029(18)
P3 0.0191(2) 0.0131(2) 0.0134(2) 0.00173(16) 0.00043(17) 0.00130(17)
P4 0.0180(2) 0.0161(2) 0.0136(2) 0.00169(17) 0.00063(17) 0.00065(18)
Rh1 0.02275(8) 0.01599(7) 0.01324(7) -0.00158(5) -0.00574(5) 0.00287(6)
Rh2 0.01669(7) 0.01277(7) 0.01295(7) 0.00166(5) 0.00023(5) 0.00159(5)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C2 1.394(3) . ?
C1 C6 1.403(2) . ?
C1 Rh1 1.9870(19) . ?
C2 C3 1.386(3) . ?
C2 O1 1.394(2) . ?
C3 C4 1.392(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.397(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(3) . ?
C5 H5 0.9500 . ?
C6 O2 1.397(2) . ?
C7 C8 1.531(3) . ?
C7 C9 1.532(3) . ?
C7 P1 1.825(2) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.525(3) . ?
C10 C11 1.535(3) . ?
C10 P1 1.833(2) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.517(3) . ?
C13 C15 1.518(3) . ?
C13 P2 1.826(2) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.520(3) . ?
C16 C18 1.524(3) . ?
C16 P2 1.832(2) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.397(2) . ?
C19 C24 1.401(2) . ?
C19 Rh2 1.9898(18) . ?
C20 C21 1.386(2) . ?
C20 O3 1.394(2) . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.392(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(2) . ?
C23 H23 0.9500 . ?
C24 O4 1.392(2) . ?
C25 C26 1.524(3) . ?
C25 C27 1.530(3) . ?
C25 P3 1.824(2) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.528(3) . ?
C28 C29 1.532(3) . ?
C28 P3 1.8283(19) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.527(3) . ?
C31 C33 1.529(3) . ?
C31 P4 1.830(2) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.524(3) . ?
C34 C36 1.529(3) . ?
C34 P4 1.816(2) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Cl1 Rh1 2.3840(9) . ?
Cl2 Rh2 2.3912(8) . ?
O1 P1 1.6586(15) . ?
O2 P2 1.6526(15) . ?
O3 P3 1.6569(14) . ?
O4 P4 1.6587(14) . ?
P1 Rh1 2.2870(7) . ?
P2 Rh1 2.2785(8) . ?
P3 Rh2 2.2894(7) . ?
P4 Rh2 2.2909(7) . ?
Rh1 H1 1.51(2) . ?
Rh2 H2 1.57(2) . ?

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
C2 C1 C6 116.59(17) . . ?
C2 C1 Rh1 121.94(13) . . ?
C6 C1 Rh1 121.45(14) . . ?
C3 C2 O1 118.54(16) . . ?
C3 C2 C1 123.16(17) . . ?
O1 C2 C1 118.30(16) . . ?
C2 C3 C4 118.10(17) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C3 C4 C5 121.36(18) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C6 C5 C4 118.38(17) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
C5 C6 O2 119.28(16) . . ?
C5 C6 C1 122.41(17) . . ?
O2 C6 C1 118.31(16) . . ?
C8 C7 C9 111.8(2) . . ?
C8 C7 P1 108.44(16) . . ?
C9 C7 P1 109.72(15) . . ?
C8 C7 H7 108.9 . . ?
C9 C7 H7 108.9 . . ?
P1 C7 H7 108.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C10 C11 110.3(2) . . ?
C12 C10 P1 110.59(16) . . ?
C11 C10 P1 112.77(15) . . ?
C12 C10 H10 107.7 . . ?
C11 C10 H10 107.7 . . ?
P1 C10 H10 107.7 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 111.3(2) . . ?
C14 C13 P2 108.99(19) . . ?
C15 C13 P2 115.08(14) . . ?
C14 C13 H13 107.0 . . ?
C15 C13 H13 107.0 . . ?
P2 C13 H13 107.0 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 111.8(2) . . ?
C17 C16 P2 110.59(16) . . ?
C18 C16 P2 108.62(14) . . ?
C17 C16 H16 108.6 . . ?
C18 C16 H16 108.6 . . ?
P2 C16 H16 108.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 116.41(16) . . ?
C20 C19 Rh2 121.88(13) . . ?
C24 C19 Rh2 121.71(13) . . ?
C21 C20 O3 118.58(16) . . ?
C21 C20 C19 123.17(16) . . ?
O3 C20 C19 118.26(15) . . ?
C20 C21 C22 117.87(17) . . ?
C20 C21 H21 121.1 . . ?
C22 C21 H21 121.1 . . ?
C23 C22 C21 121.64(17) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C24 C23 C22 118.19(16) . . ?
C24 C23 H23 120.9 . . ?
C22 C23 H23 120.9 . . ?
C23 C24 O4 118.75(15) . . ?
C23 C24 C19 122.71(16) . . ?
O4 C24 C19 118.53(15) . . ?
C26 C25 C27 112.3(2) . . ?
C26 C25 P3 113.44(14) . . ?
C27 C25 P3 108.74(16) . . ?
C26 C25 H25 107.3 . . ?
C27 C25 H25 107.3 . . ?
P3 C25 H25 107.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C30 C28 C29 111.61(17) . . ?
C30 C28 P3 109.26(14) . . ?
C29 C28 P3 110.22(13) . . ?
C30 C28 H28 108.6 . . ?
C29 C28 H28 108.6 . . ?
P3 C28 H28 108.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C33 111.27(17) . . ?
C32 C31 P4 109.11(14) . . ?
C33 C31 P4 113.25(14) . . ?
C32 C31 H31 107.7 . . ?
C33 C31 H31 107.7 . . ?
P4 C31 H31 107.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C36 110.76(19) . . ?
C35 C34 P4 110.19(18) . . ?
C36 C34 P4 109.80(15) . . ?
C35 C34 H34 108.7 . . ?
C36 C34 H34 108.7 . . ?
P4 C34 H34 108.7 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C2 O1 P1 114.86(11) . . ?
C6 O2 P2 114.57(11) . . ?
C20 O3 P3 114.98(11) . . ?
C24 O4 P4 114.83(11) . . ?
O1 P1 C7 101.33(9) . . ?
O1 P1 C10 101.35(9) . . ?
C7 P1 C10 107.34(10) . . ?
O1 P1 Rh1 104.36(5) . . ?
C7 P1 Rh1 118.10(8) . . ?
C10 P1 Rh1 120.91(7) . . ?
O2 P2 C13 102.33(9) . . ?
O2 P2 C16 103.64(9) . . ?
C13 P2 C16 106.36(10) . . ?
O2 P2 Rh1 104.76(5) . . ?
C13 P2 Rh1 120.52(7) . . ?
C16 P2 Rh1 116.86(7) . . ?
O3 P3 C25 102.44(9) . . ?
O3 P3 C28 100.91(8) . . ?
C25 P3 C28 106.94(9) . . ?
O3 P3 Rh2 104.42(5) . . ?
C25 P3 Rh2 117.37(7) . . ?
C28 P3 Rh2 121.55(7) . . ?
O4 P4 C34 101.91(9) . . ?
O4 P4 C31 101.58(8) . . ?
C34 P4 C31 106.01(9) . . ?
O4 P4 Rh2 104.51(5) . . ?
C34 P4 Rh2 118.51(7) . . ?
C31 P4 Rh2 121.12(7) . . ?
C1 Rh1 P2 80.45(5) . . ?
C1 Rh1 P1 80.39(6) . . ?
P2 Rh1 P1 160.60(2) . . ?
C1 Rh1 Cl1 168.97(6) . . ?
P2 Rh1 Cl1 97.69(2) . . ?
P1 Rh1 Cl1 101.71(2) . . ?
C1 Rh1 H1 75.1(8) . . ?
P2 Rh1 H1 86.7(8) . . ?
P1 Rh1 H1 85.5(8) . . ?
Cl1 Rh1 H1 115.7(8) . . ?
C19 Rh2 P3 80.33(5) . . ?
C19 Rh2 P4 80.35(5) . . ?
P3 Rh2 P4 160.670(18) . . ?
C19 Rh2 Cl2 178.21(5) . . ?
P3 Rh2 Cl2 98.95(2) . . ?
P4 Rh2 Cl2 100.38(2) . . ?
C19 Rh2 H2 77.9(8) . . ?
P3 Rh2 H2 90.5(8) . . ?
P4 Rh2 H2 86.2(8) . . ?
Cl2 Rh2 H2 100.5(8) . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.230
_refine_diff_density_min         -0.869
_refine_diff_density_rms         0.068

data_m:\stimpa\ovo579~g\ovo579~g\oz241d
_database_code_depnum_ccdc_archive 'CCDC 807206'
#TrackingRef '- oz241_sdt175.cif'

_audit_creation_method           SHELXL-97

# start Validation Reply Form: Two Alert B issues

_vrf_PLAT148_m:\stimpa\ovo579~g\ovo579~g\oz241d 
;
PROBLEM: su on the b - Axis is Too Large (x 1000) . 13 Ang.

RESPONSE: Result of low quality of crystals and collected diffraction data.

;
_vrf_PLAT342_m:\stimpa\ovo579~g\ovo579~g\oz241d 
;
PROBLEM: Low Bond Precision on C-C Bonds (x 1000) Ang .. 21

RESPONSE: Result of low quality of crystals and collected diffraction data.
;

# end Validation Reply Form

_chemical_name_systematic        
;
?
;
_chemical_name_common            (POCOP)Rh(Ph)I
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H36 I O2 P2 Rh'
_chemical_formula_sum            'C24 H36 I O2 P2 Rh'
_chemical_formula_weight         648.28

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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.865(2)
_cell_length_b                   10.113(13)
_cell_length_c                   23.16(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 131.95(5)
_cell_angle_gamma                90.00
_cell_volume                     2764(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9991
_cell_measurement_theta_min      0.5252
_cell_measurement_theta_max      0.7456

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296
_exptl_absorpt_coefficient_mu    1.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8350
_exptl_absorpt_correction_T_max  0.9123
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25712
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_sigmaI/netI    0.0747
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         27.18
_reflns_number_total             5994
_reflns_number_gt                4797
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+35.5033P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5994
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0777
_refine_ls_wR_factor_ref         0.1954
_refine_ls_wR_factor_gt          0.1880
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
I1 I 0.71594(6) 0.51245(7) 0.38007(4) 0.0406(2) Uani 1 1 d . . .
Rh1 Rh 0.73933(5) 0.36380(7) 0.49170(4) 0.02557(19) Uani 1 1 d . . .
P1 P 0.8423(2) 0.5228(2) 0.59026(15) 0.0344(5) Uani 1 1 d . . .
P2 P 0.6057(2) 0.1993(3) 0.41165(15) 0.0411(6) Uani 1 1 d . . .
O1 O 0.5921(6) 0.1213(8) 0.4706(4) 0.052(2) Uani 1 1 d . . .
O2 O 0.8369(7) 0.4665(6) 0.6570(4) 0.0407(16) Uani 1 1 d . . .
C1 C 0.7643(8) 0.3607(9) 0.6335(5) 0.0300(18) Uani 1 1 d . . .
C2 C 0.7485(8) 0.3151(10) 0.6839(5) 0.034(2) Uani 1 1 d . . .
H3 H 0.7840 0.3587 0.7316 0.041 Uiso 1 1 calc R . .
C3 C 0.6787(7) 0.2032(10) 0.6611(5) 0.035(2) Uani 1 1 d . . .
H2 H 0.6669 0.1708 0.6937 0.042 Uiso 1 1 calc R . .
C4 C 0.6260(8) 0.1389(11) 0.5889(5) 0.038(2) Uani 1 1 d . . .
H1 H 0.5803 0.0627 0.5738 0.045 Uiso 1 1 calc R . .
C5 C 0.6426(7) 0.1895(10) 0.5405(5) 0.033(2) Uani 1 1 d . . .
C6 C 0.7112(7) 0.2985(9) 0.5608(5) 0.0290(19) Uani 1 1 d . . .
C7 C 0.8731(7) 0.2312(8) 0.5496(5) 0.0286(18) Uani 1 1 d . . .
C8 C 0.9110(7) 0.1449(9) 0.6111(5) 0.0305(19) Uani 1 1 d . . .
H4 H 0.8727 0.1412 0.6295 0.037 Uiso 1 1 calc R . .
C9 C 1.0078(9) 0.0632(11) 0.6450(7) 0.046(3) Uani 1 1 d . . .
H5 H 1.0346 0.0059 0.6868 0.055 Uiso 1 1 calc R . .
C10 C 1.0640(12) 0.0672(15) 0.6168(8) 0.076(5) Uani 1 1 d . . .
H6 H 1.1262 0.0099 0.6381 0.091 Uiso 1 1 calc R . .
C11 C 1.0277(12) 0.1557(15) 0.5574(9) 0.076(5) Uani 1 1 d . . .
H7 H 1.0676 0.1619 0.5402 0.091 Uiso 1 1 calc R . .
C12 C 0.9317(9) 0.2357(11) 0.5232(7) 0.046(3) Uani 1 1 d . . .
H8 H 0.9060 0.2934 0.4819 0.055 Uiso 1 1 calc R . .
C13 C 0.6235(15) 0.0626(14) 0.3691(9) 0.074(4) Uani 1 1 d . . .
H9 H 0.5480 0.0181 0.3324 0.089 Uiso 1 1 calc R . .
C14 C 0.6992(18) -0.0345(17) 0.4228(11) 0.100(6) Uani 1 1 d . . .
H15 H 0.6861 -0.1165 0.3952 0.150 Uiso 1 1 calc R . .
H13 H 0.6875 -0.0507 0.4587 0.150 Uiso 1 1 calc R . .
H14 H 0.7771 -0.0044 0.4520 0.150 Uiso 1 1 calc R . .
C15 C 0.6474(13) 0.1152(16) 0.3182(8) 0.073(4) Uani 1 1 d . . .
H10 H 0.7140 0.1731 0.3494 0.110 Uiso 1 1 calc R . .
H12 H 0.5816 0.1652 0.2743 0.110 Uiso 1 1 calc R . .
H11 H 0.6616 0.0406 0.2987 0.110 Uiso 1 1 calc R . .
C16 C 0.4565(9) 0.2618(17) 0.3289(6) 0.068(4) Uani 1 1 d . . .
H16 H 0.4486 0.2769 0.2828 0.081 Uiso 1 1 calc R . .
C17 C 0.3613(12) 0.176(2) 0.3041(9) 0.101(7) Uani 1 1 d . . .
H18 H 0.3415 0.1973 0.3351 0.152 Uiso 1 1 calc R . .
H17 H 0.3840 0.0833 0.3118 0.152 Uiso 1 1 calc R . .
H19 H 0.2955 0.1919 0.2491 0.152 Uiso 1 1 calc R . .
C18 C 0.4387(11) 0.4060(18) 0.3540(8) 0.080(5) Uani 1 1 d . . .
H22 H 0.3612 0.4375 0.3121 0.119 Uiso 1 1 calc R . .
H20 H 0.4926 0.4706 0.3632 0.119 Uiso 1 1 calc R . .
H21 H 0.4519 0.3949 0.4015 0.119 Uiso 1 1 calc R . .
C19 C 0.7652(12) 0.6838(11) 0.5587(8) 0.059(4) Uani 1 1 d . . .
H23 H 0.7710 0.7255 0.5223 0.071 Uiso 1 1 calc R . .
C21 C 0.6376(13) 0.6573(15) 0.5117(10) 0.083(5) Uani 1 1 d . . .
H24 H 0.6294 0.6023 0.5426 0.125 Uiso 1 1 calc R . .
H25 H 0.6045 0.6113 0.4634 0.125 Uiso 1 1 calc R . .
H26 H 0.5982 0.7416 0.4996 0.125 Uiso 1 1 calc R . .
C20 C 0.8167(19) 0.7848(14) 0.6269(12) 0.102(7) Uani 1 1 d . . .
H29 H 0.7767 0.8694 0.6056 0.153 Uiso 1 1 calc R . .
H27 H 0.8973 0.7981 0.6554 0.153 Uiso 1 1 calc R . .
H28 H 0.8083 0.7497 0.6623 0.153 Uiso 1 1 calc R . .
C22 C 0.9954(9) 0.5672(10) 0.6544(6) 0.044(2) Uani 1 1 d . . .
H30 H 1.0135 0.6281 0.6955 0.053 Uiso 1 1 calc R . .
C24 C 1.0731(11) 0.4472(14) 0.6954(9) 0.079(5) Uani 1 1 d . . .
H32 H 1.0725 0.3975 0.6589 0.119 Uiso 1 1 calc R . .
H31 H 1.0462 0.3904 0.7145 0.119 Uiso 1 1 calc R . .
H33 H 1.1504 0.4768 0.7392 0.119 Uiso 1 1 calc R . .
C23 C 1.0165(10) 0.6460(12) 0.6065(7) 0.052(3) Uani 1 1 d . . .
H35 H 1.0960 0.6737 0.6410 0.078 Uiso 1 1 calc R . .
H34 H 0.9675 0.7242 0.5831 0.078 Uiso 1 1 calc R . .
H36 H 0.9991 0.5892 0.5654 0.078 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
I1 0.0424(4) 0.0462(4) 0.0394(4) 0.0100(3) 0.0299(3) 0.0015(3)
Rh1 0.0222(3) 0.0278(3) 0.0283(3) 0.0035(3) 0.0175(3) 0.0034(3)
P1 0.0468(14) 0.0240(11) 0.0398(13) -0.0010(10) 0.0321(12) -0.0033(10)
P2 0.0338(13) 0.0575(17) 0.0340(13) -0.0109(12) 0.0236(11) -0.0183(12)
O1 0.051(4) 0.066(5) 0.040(4) -0.016(4) 0.031(4) -0.032(4)
O2 0.066(5) 0.026(3) 0.050(4) -0.005(3) 0.046(4) -0.006(3)
C1 0.035(5) 0.028(4) 0.035(5) -0.002(4) 0.027(4) -0.001(4)
C2 0.032(5) 0.038(5) 0.032(5) -0.001(4) 0.021(4) -0.001(4)
C3 0.029(4) 0.052(6) 0.028(5) 0.004(4) 0.021(4) 0.003(4)
C4 0.027(4) 0.050(6) 0.033(5) 0.002(4) 0.018(4) -0.007(4)
C5 0.024(4) 0.042(5) 0.028(4) 0.000(4) 0.015(4) -0.001(4)
C6 0.020(4) 0.036(5) 0.033(5) 0.002(4) 0.018(4) 0.005(4)
C7 0.028(4) 0.019(4) 0.039(5) 0.001(4) 0.022(4) 0.006(3)
C8 0.031(4) 0.025(4) 0.035(5) 0.005(4) 0.022(4) 0.005(4)
C9 0.046(6) 0.040(6) 0.052(6) 0.023(5) 0.033(5) 0.021(5)
C10 0.076(9) 0.088(10) 0.085(10) 0.055(9) 0.063(9) 0.066(8)
C11 0.081(9) 0.089(10) 0.101(11) 0.054(9) 0.079(9) 0.055(8)
C12 0.046(6) 0.052(6) 0.054(6) 0.024(5) 0.039(6) 0.027(5)
C13 0.108(12) 0.049(8) 0.094(11) -0.033(8) 0.080(11) -0.035(8)
C14 0.141(17) 0.065(10) 0.098(13) 0.001(10) 0.082(14) 0.012(11)
C15 0.084(10) 0.094(11) 0.071(9) -0.022(8) 0.063(8) -0.028(9)
C16 0.027(5) 0.141(14) 0.028(5) 0.005(7) 0.016(5) -0.007(7)
C17 0.049(8) 0.17(2) 0.064(9) 0.024(11) 0.030(7) -0.015(10)
C18 0.044(7) 0.129(14) 0.068(9) 0.014(9) 0.038(7) 0.021(8)
C19 0.102(10) 0.029(5) 0.097(10) 0.020(6) 0.087(9) 0.024(6)
C21 0.103(12) 0.070(9) 0.117(13) 0.047(9) 0.090(11) 0.060(9)
C20 0.20(2) 0.044(8) 0.170(19) -0.007(10) 0.170(19) -0.007(10)
C22 0.056(6) 0.031(5) 0.041(6) -0.005(4) 0.031(5) -0.015(5)
C24 0.046(7) 0.068(9) 0.075(9) 0.025(8) 0.021(7) -0.017(7)
C23 0.065(7) 0.059(7) 0.059(7) -0.011(6) 0.052(6) -0.025(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
I1 Rh1 2.792(2) . ?
Rh1 C6 2.037(9) . ?
Rh1 C7 2.072(8) . ?
Rh1 P2 2.334(3) . ?
Rh1 P1 2.341(3) . ?
P1 O2 1.702(7) . ?
P1 C19 1.867(11) . ?
P1 C22 1.867(11) . ?
P2 O1 1.710(8) . ?
P2 C13 1.826(14) . ?
P2 C16 1.901(12) . ?
O1 C5 1.416(12) . ?
O2 C1 1.390(11) . ?
C1 C2 1.424(13) . ?
C1 C6 1.429(13) . ?
C2 C3 1.416(14) . ?
C2 H3 0.9500 . ?
C3 C4 1.431(14) . ?
C3 H2 0.9500 . ?
C4 C5 1.408(13) . ?
C4 H1 0.9500 . ?
C5 C6 1.392(13) . ?
C7 C12 1.414(13) . ?
C7 C8 1.416(12) . ?
C8 C9 1.430(13) . ?
C8 H4 0.9500 . ?
C9 C10 1.414(16) . ?
C9 H5 0.9500 . ?
C10 C11 1.403(17) . ?
C10 H6 0.9500 . ?
C11 C12 1.410(14) . ?
C11 H7 0.9500 . ?
C12 H8 0.9500 . ?
C13 C14 1.40(2) . ?
C13 C15 1.554(19) . ?
C13 H9 1.0000 . ?
C14 H15 0.9800 . ?
C14 H13 0.9800 . ?
C14 H14 0.9800 . ?
C15 H10 0.9800 . ?
C15 H12 0.9800 . ?
C15 H11 0.9800 . ?
C16 C17 1.483(19) . ?
C16 C18 1.66(2) . ?
C16 H16 1.0000 . ?
C17 H18 0.9800 . ?
C17 H17 0.9800 . ?
C17 H19 0.9800 . ?
C18 H22 0.9800 . ?
C18 H20 0.9800 . ?
C18 H21 0.9800 . ?
C19 C21 1.55(2) . ?
C19 C20 1.58(2) . ?
C19 H23 1.0000 . ?
C21 H24 0.9800 . ?
C21 H25 0.9800 . ?
C21 H26 0.9800 . ?
C20 H29 0.9800 . ?
C20 H27 0.9800 . ?
C20 H28 0.9800 . ?
C22 C24 1.526(18) . ?
C22 C23 1.575(14) . ?
C22 H30 1.0000 . ?
C24 H32 0.9800 . ?
C24 H31 0.9800 . ?
C24 H33 0.9800 . ?
C23 H35 0.9800 . ?
C23 H34 0.9800 . ?
C23 H36 0.9800 . ?

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
C6 Rh1 C7 87.1(4) . . ?
C6 Rh1 P2 80.4(3) . . ?
C7 Rh1 P2 92.7(3) . . ?
C6 Rh1 P1 80.4(3) . . ?
C7 Rh1 P1 93.9(3) . . ?
P2 Rh1 P1 159.33(10) . . ?
C6 Rh1 I1 159.8(2) . . ?
C7 Rh1 I1 113.1(3) . . ?
P2 Rh1 I1 99.24(11) . . ?
P1 Rh1 I1 96.15(11) . . ?
O2 P1 C19 103.3(5) . . ?
O2 P1 C22 100.7(4) . . ?
C19 P1 C22 105.4(6) . . ?
O2 P1 Rh1 103.3(3) . . ?
C19 P1 Rh1 111.7(5) . . ?
C22 P1 Rh1 129.1(4) . . ?
O1 P2 C13 103.2(6) . . ?
O1 P2 C16 102.8(5) . . ?
C13 P2 C16 104.2(7) . . ?
O1 P2 Rh1 103.1(3) . . ?
C13 P2 Rh1 125.6(5) . . ?
C16 P2 Rh1 115.0(5) . . ?
C5 O1 P2 114.3(6) . . ?
C1 O2 P1 115.7(6) . . ?
O2 C1 C2 118.8(8) . . ?
O2 C1 C6 118.8(8) . . ?
C2 C1 C6 122.3(8) . . ?
C3 C2 C1 118.4(9) . . ?
C3 C2 H3 120.8 . . ?
C1 C2 H3 120.8 . . ?
C2 C3 C4 120.0(9) . . ?
C2 C3 H2 120.0 . . ?
C4 C3 H2 120.0 . . ?
C5 C4 C3 119.3(9) . . ?
C5 C4 H1 120.3 . . ?
C3 C4 H1 120.3 . . ?
C6 C5 C4 122.7(9) . . ?
C6 C5 O1 119.2(8) . . ?
C4 C5 O1 118.0(8) . . ?
C5 C6 C1 117.3(8) . . ?
C5 C6 Rh1 121.6(7) . . ?
C1 C6 Rh1 121.1(7) . . ?
C12 C7 C8 119.5(8) . . ?
C12 C7 Rh1 112.6(7) . . ?
C8 C7 Rh1 127.8(7) . . ?
C7 C8 C9 119.2(9) . . ?
C7 C8 H4 120.4 . . ?
C9 C8 H4 120.4 . . ?
C10 C9 C8 120.5(9) . . ?
C10 C9 H5 119.8 . . ?
C8 C9 H5 119.8 . . ?
C11 C10 C9 119.9(10) . . ?
C11 C10 H6 120.0 . . ?
C9 C10 H6 120.0 . . ?
C10 C11 C12 119.8(11) . . ?
C10 C11 H7 120.1 . . ?
C12 C11 H7 120.1 . . ?
C11 C12 C7 121.0(10) . . ?
C11 C12 H8 119.5 . . ?
C7 C12 H8 119.5 . . ?
C14 C13 C15 114.5(15) . . ?
C14 C13 P2 113.8(12) . . ?
C15 C13 P2 110.7(10) . . ?
C14 C13 H9 105.6 . . ?
C15 C13 H9 105.6 . . ?
P2 C13 H9 105.6 . . ?
C13 C14 H15 109.5 . . ?
C13 C14 H13 109.5 . . ?
H15 C14 H13 109.5 . . ?
C13 C14 H14 109.5 . . ?
H15 C14 H14 109.5 . . ?
H13 C14 H14 109.5 . . ?
C13 C15 H10 109.5 . . ?
C13 C15 H12 109.5 . . ?
H10 C15 H12 109.5 . . ?
C13 C15 H11 109.5 . . ?
H10 C15 H11 109.5 . . ?
H12 C15 H11 109.5 . . ?
C17 C16 C18 106.2(12) . . ?
C17 C16 P2 117.2(12) . . ?
C18 C16 P2 109.1(8) . . ?
C17 C16 H16 108.0 . . ?
C18 C16 H16 108.0 . . ?
P2 C16 H16 108.0 . . ?
C16 C17 H18 109.5 . . ?
C16 C17 H17 109.5 . . ?
H18 C17 H17 109.5 . . ?
C16 C17 H19 109.5 . . ?
H18 C17 H19 109.5 . . ?
H17 C17 H19 109.5 . . ?
C16 C18 H22 109.5 . . ?
C16 C18 H20 109.5 . . ?
H22 C18 H20 109.5 . . ?
C16 C18 H21 109.5 . . ?
H22 C18 H21 109.5 . . ?
H20 C18 H21 109.5 . . ?
C21 C19 C20 112.0(11) . . ?
C21 C19 P1 109.3(9) . . ?
C20 C19 P1 114.1(11) . . ?
C21 C19 H23 107.0 . . ?
C20 C19 H23 107.0 . . ?
P1 C19 H23 107.0 . . ?
C19 C21 H24 109.5 . . ?
C19 C21 H25 109.5 . . ?
H24 C21 H25 109.5 . . ?
C19 C21 H26 109.5 . . ?
H24 C21 H26 109.5 . . ?
H25 C21 H26 109.5 . . ?
C19 C20 H29 109.5 . . ?
C19 C20 H27 109.5 . . ?
H29 C20 H27 109.5 . . ?
C19 C20 H28 109.5 . . ?
H29 C20 H28 109.5 . . ?
H27 C20 H28 109.5 . . ?
C24 C22 C23 112.2(11) . . ?
C24 C22 P1 112.6(7) . . ?
C23 C22 P1 109.7(7) . . ?
C24 C22 H30 107.4 . . ?
C23 C22 H30 107.4 . . ?
P1 C22 H30 107.4 . . ?
C22 C24 H32 109.5 . . ?
C22 C24 H31 109.5 . . ?
H32 C24 H31 109.5 . . ?
C22 C24 H33 109.5 . . ?
H32 C24 H33 109.5 . . ?
H31 C24 H33 109.5 . . ?
C22 C23 H35 109.5 . . ?
C22 C23 H34 109.5 . . ?
H35 C23 H34 109.5 . . ?
C22 C23 H36 109.5 . . ?
H35 C23 H36 109.5 . . ?
H34 C23 H36 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 Rh1 P1 O2 6.4(4) . . . . ?
C7 Rh1 P1 O2 -80.0(4) . . . . ?
P2 Rh1 P1 O2 28.2(4) . . . . ?
I1 Rh1 P1 O2 166.2(3) . . . . ?
C6 Rh1 P1 C19 -104.0(5) . . . . ?
C7 Rh1 P1 C19 169.6(5) . . . . ?
P2 Rh1 P1 C19 -82.1(5) . . . . ?
I1 Rh1 P1 C19 55.9(4) . . . . ?
C6 Rh1 P1 C22 122.3(5) . . . . ?
C7 Rh1 P1 C22 36.0(5) . . . . ?
P2 Rh1 P1 C22 144.2(5) . . . . ?
I1 Rh1 P1 C22 -77.8(4) . . . . ?
C6 Rh1 P2 O1 -8.7(4) . . . . ?
C7 Rh1 P2 O1 77.9(4) . . . . ?
P1 Rh1 P2 O1 -30.6(5) . . . . ?
I1 Rh1 P2 O1 -168.2(3) . . . . ?
C6 Rh1 P2 C13 -125.9(7) . . . . ?
C7 Rh1 P2 C13 -39.3(7) . . . . ?
P1 Rh1 P2 C13 -147.7(7) . . . . ?
I1 Rh1 P2 C13 74.7(7) . . . . ?
C6 Rh1 P2 C16 102.3(5) . . . . ?
C7 Rh1 P2 C16 -171.1(5) . . . . ?
P1 Rh1 P2 C16 80.5(5) . . . . ?
I1 Rh1 P2 C16 -57.1(4) . . . . ?
C13 P2 O1 C5 144.0(8) . . . . ?
C16 P2 O1 C5 -107.8(8) . . . . ?
Rh1 P2 O1 C5 12.0(7) . . . . ?
C19 P1 O2 C1 107.5(8) . . . . ?
C22 P1 O2 C1 -143.7(7) . . . . ?
Rh1 P1 O2 C1 -9.0(7) . . . . ?
P1 O2 C1 C2 -175.1(7) . . . . ?
P1 O2 C1 C6 7.1(11) . . . . ?
O2 C1 C2 C3 -177.0(8) . . . . ?
C6 C1 C2 C3 0.8(13) . . . . ?
C1 C2 C3 C4 0.0(14) . . . . ?
C2 C3 C4 C5 -1.2(14) . . . . ?
C3 C4 C5 C6 1.8(14) . . . . ?
C3 C4 C5 O1 178.2(8) . . . . ?
P2 O1 C5 C6 -9.5(11) . . . . ?
P2 O1 C5 C4 174.0(7) . . . . ?
C4 C5 C6 C1 -1.1(13) . . . . ?
O1 C5 C6 C1 -177.4(8) . . . . ?
C4 C5 C6 Rh1 177.0(7) . . . . ?
O1 C5 C6 Rh1 0.7(12) . . . . ?
O2 C1 C6 C5 177.5(8) . . . . ?
C2 C1 C6 C5 -0.3(13) . . . . ?
O2 C1 C6 Rh1 -0.6(11) . . . . ?
C2 C1 C6 Rh1 -178.4(7) . . . . ?
C7 Rh1 C6 C5 -87.6(7) . . . . ?
P2 Rh1 C6 C5 5.6(7) . . . . ?
P1 Rh1 C6 C5 177.9(7) . . . . ?
I1 Rh1 C6 C5 96.3(10) . . . . ?
C7 Rh1 C6 C1 90.4(7) . . . . ?
P2 Rh1 C6 C1 -176.4(7) . . . . ?
P1 Rh1 C6 C1 -4.0(6) . . . . ?
I1 Rh1 C6 C1 -85.7(10) . . . . ?
C6 Rh1 C7 C12 -179.0(8) . . . . ?
P2 Rh1 C7 C12 100.8(8) . . . . ?
P1 Rh1 C7 C12 -98.8(8) . . . . ?
I1 Rh1 C7 C12 -0.4(8) . . . . ?
C6 Rh1 C7 C8 -1.1(8) . . . . ?
P2 Rh1 C7 C8 -81.3(8) . . . . ?
P1 Rh1 C7 C8 79.1(8) . . . . ?
I1 Rh1 C7 C8 177.5(7) . . . . ?
C12 C7 C8 C9 -0.3(14) . . . . ?
Rh1 C7 C8 C9 -178.1(8) . . . . ?
C7 C8 C9 C10 -0.9(17) . . . . ?
C8 C9 C10 C11 3(2) . . . . ?
C9 C10 C11 C12 -3(3) . . . . ?
C10 C11 C12 C7 2(2) . . . . ?
C8 C7 C12 C11 -0.2(18) . . . . ?
Rh1 C7 C12 C11 177.9(11) . . . . ?
O1 P2 C13 C14 -44.7(14) . . . . ?
C16 P2 C13 C14 -151.8(13) . . . . ?
Rh1 P2 C13 C14 72.4(14) . . . . ?
O1 P2 C13 C15 -175.3(10) . . . . ?
C16 P2 C13 C15 77.6(12) . . . . ?
Rh1 P2 C13 C15 -58.2(14) . . . . ?
O1 P2 C16 C17 -36.1(13) . . . . ?
C13 P2 C16 C17 71.3(13) . . . . ?
Rh1 P2 C16 C17 -147.4(11) . . . . ?
O1 P2 C16 C18 84.5(9) . . . . ?
C13 P2 C16 C18 -168.1(9) . . . . ?
Rh1 P2 C16 C18 -26.8(9) . . . . ?
O2 P1 C19 C21 -68.9(10) . . . . ?
C22 P1 C19 C21 -174.2(9) . . . . ?
Rh1 P1 C19 C21 41.5(10) . . . . ?
O2 P1 C19 C20 57.3(10) . . . . ?
C22 P1 C19 C20 -48.0(10) . . . . ?
Rh1 P1 C19 C20 167.7(8) . . . . ?
O2 P1 C22 C24 64.4(10) . . . . ?
C19 P1 C22 C24 171.5(10) . . . . ?
Rh1 P1 C22 C24 -52.7(11) . . . . ?
O2 P1 C22 C23 -170.0(7) . . . . ?
C19 P1 C22 C23 -62.9(9) . . . . ?
Rh1 P1 C22 C23 73.0(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        27.18
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         1.589
_refine_diff_density_min         -1.734
_refine_diff_density_rms         0.196