# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex1_lz640_1
_database_code_depnum_ccdc_archive 'CCDC 1050052'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H49 O4 P2 Rh Si'
_chemical_formula_sum            'C22 H49 O4 P2 Rh Si'
_chemical_formula_weight         570.55

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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)/n
_symmetry_space_group_name_Hall  '-P 2yn'



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

_cell_length_a                   8.9988(6)
_cell_length_b                   34.279(2)
_cell_length_c                   9.3215(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.216(3)
_cell_angle_gamma                90.00
_cell_volume                     2810.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.58

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1208
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6213
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40486
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         27.59
_reflns_number_total             6482
_reflns_number_gt                5683
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0166P)²+3.3128P] where P=(Fo²+2Fc²)/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         6482
_refine_ls_number_parameters     309
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0258
_refine_ls_wR_factor_ref         0.0551
_refine_ls_wR_factor_gt          0.0524
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.006
_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 0.4095(2) 0.69248(5) 0.6958(2) 0.0155(4) Uani 1 1 d . . .
H1A H 0.4986 0.7072 0.7495 0.019 Uiso 1 1 calc R . .
H1B H 0.3181 0.7035 0.7241 0.019 Uiso 1 1 calc R . .
C2 C 0.4261(2) 0.65009(6) 0.7468(2) 0.0178(4) Uani 1 1 d . . .
H2A H 0.4475 0.6494 0.8554 0.021 Uiso 1 1 calc R . .
H2B H 0.5140 0.6383 0.7145 0.021 Uiso 1 1 calc R . .
C3 C 0.2838(2) 0.62564(6) 0.6869(2) 0.0177(4) Uani 1 1 d . . .
H3A H 0.1928 0.6423 0.6808 0.021 Uiso 1 1 calc R . .
H3B H 0.2777 0.6043 0.7568 0.021 Uiso 1 1 calc R . .
C4 C 0.2563(2) 0.74171(5) 0.4574(2) 0.0165(4) Uani 1 1 d . . .
H4 H 0.2521 0.7497 0.3535 0.020 Uiso 1 1 calc R . .
C5 C 0.0975(2) 0.72701(6) 0.4649(2) 0.0206(4) Uani 1 1 d . . .
H5A H 0.0990 0.7168 0.5633 0.027(6) Uiso 1 1 calc R . .
H5B H 0.0672 0.7063 0.3922 0.027(6) Uiso 1 1 calc R . .
H5C H 0.0248 0.7486 0.4439 0.030(7) Uiso 1 1 calc R . .
C6 C 0.3003(3) 0.77802(6) 0.5527(3) 0.0250(5) Uani 1 1 d . . .
H6A H 0.3966 0.7885 0.5359 0.034(7) Uiso 1 1 calc R . .
H6B H 0.3120 0.7710 0.6564 0.032(7) Uiso 1 1 calc R . .
H6C H 0.2206 0.7978 0.5267 0.033(7) Uiso 1 1 calc R . .
C7 C 0.5792(2) 0.72386(6) 0.4985(2) 0.0186(4) Uani 1 1 d . . .
H7 H 0.5965 0.7443 0.5769 0.022 Uiso 1 1 calc R . .
C8 C 0.5848(3) 0.74372(7) 0.3534(2) 0.0275(5) Uani 1 1 d . . .
H8A H 0.6818 0.7575 0.3627 0.037(7) Uiso 1 1 calc R . .
H8B H 0.5009 0.7624 0.3285 0.040(8) Uiso 1 1 calc R . .
H8C H 0.5755 0.7240 0.2758 0.033(7) Uiso 1 1 calc R . .
C9 C 0.7053(2) 0.69355(7) 0.5382(3) 0.0330(6) Uani 1 1 d . . .
H9A H 0.7027 0.6821 0.6340 0.028(7) Uiso 1 1 calc R . .
H9B H 0.8040 0.7061 0.5425 0.042(8) Uiso 1 1 calc R . .
H9C H 0.6901 0.6730 0.4635 0.049(9) Uiso 1 1 calc R . .
C10 C 0.0857(2) 0.58406(6) 0.4531(2) 0.0180(4) Uani 1 1 d . . .
H10 H 0.0784 0.5706 0.3567 0.022 Uiso 1 1 calc R . .
C11 C -0.0303(2) 0.61729(6) 0.4270(2) 0.0220(4) Uani 1 1 d . . .
H11A H -0.1314 0.6067 0.3854 0.033 Uiso 1 1 calc R . .
H11B H -0.0020 0.6362 0.3584 0.033 Uiso 1 1 calc R . .
H11C H -0.0316 0.6303 0.5203 0.033 Uiso 1 1 calc R . .
C12 C 0.0434(3) 0.55397(7) 0.5589(3) 0.0289(5) Uani 1 1 d . . .
H12A H 0.0599 0.5652 0.6578 0.043 Uiso 1 1 calc R . .
H12B H 0.1070 0.5307 0.5604 0.043 Uiso 1 1 calc R . .
H12C H -0.0639 0.5468 0.5264 0.043 Uiso 1 1 calc R . .
C13 C 0.4111(2) 0.56183(6) 0.5422(2) 0.0184(4) Uani 1 1 d . . .
H13 H 0.3682 0.5413 0.4688 0.022 Uiso 1 1 calc R . .
C14 C 0.5686(2) 0.57215(7) 0.5157(2) 0.0248(5) Uani 1 1 d . . .
H14A H 0.6275 0.5482 0.5135 0.030(7) Uiso 1 1 calc R . .
H14B H 0.6215 0.5891 0.5951 0.042(8) Uiso 1 1 calc R . .
H14C H 0.5577 0.5858 0.4217 0.033(7) Uiso 1 1 calc R . .
C15 C 0.4286(3) 0.54321(7) 0.6945(3) 0.0302(5) Uani 1 1 d . . .
H15A H 0.3279 0.5368 0.7124 0.043(8) Uiso 1 1 calc R . .
H15B H 0.4797 0.5616 0.7695 0.043(8) Uiso 1 1 calc R . .
H15C H 0.4892 0.5193 0.6989 0.043(8) Uiso 1 1 calc R . .
C16 C 0.3377(2) 0.67964(6) 0.1681(2) 0.0170(4) Uani 1 1 d . . .
C17 C 0.5870(2) 0.59938(6) 0.1130(2) 0.0178(4) Uani 1 1 d . . .
H17A H 0.6021 0.6139 0.2069 0.021 Uiso 1 1 calc R . .
H17B H 0.6402 0.6137 0.0466 0.021 Uiso 1 1 calc R . .
C18 C 0.6543(3) 0.55898(7) 0.1409(3) 0.0278(5) Uani 1 1 d . . .
H18A H 0.6380 0.5445 0.0483 0.042(8) Uiso 1 1 calc R . .
H18B H 0.6049 0.5452 0.2104 0.037(8) Uiso 1 1 calc R . .
H18C H 0.7636 0.5611 0.1822 0.038(7) Uiso 1 1 calc R . .
C19 C 0.0022(2) 0.61833(6) 0.0139(2) 0.0201(4) Uani 1 1 d . . .
H19A H 0.0053 0.6399 0.0852 0.024 Uiso 1 1 calc R . .
H19B H -0.0435 0.5952 0.0516 0.024 Uiso 1 1 calc R . .
C20 C -0.0926(3) 0.63012(7) -0.1329(2) 0.0269(5) Uani 1 1 d . . .
H20A H -0.1960 0.6364 -0.1222 0.043(8) Uiso 1 1 calc R . .
H20B H -0.0963 0.6086 -0.2026 0.041(8) Uiso 1 1 calc R . .
H20C H -0.0472 0.6531 -0.1693 0.051(9) Uiso 1 1 calc R . .
C21 C 0.2359(2) 0.52409(6) 0.1010(2) 0.0190(4) Uani 1 1 d . . .
H21A H 0.3341 0.5132 0.0880 0.023 Uiso 1 1 calc R . .
H21B H 0.1774 0.5326 0.0039 0.023 Uiso 1 1 calc R . .
C22 C 0.1478(3) 0.49332(6) 0.1638(2) 0.0252(5) Uani 1 1 d . . .
H22A H 0.0486 0.5038 0.1717 0.040(8) Uiso 1 1 calc R . .
H22B H 0.2046 0.4856 0.2613 0.034(7) Uiso 1 1 calc R . .
H22C H 0.1330 0.4705 0.0990 0.032(7) Uiso 1 1 calc R . .
O1 O 0.3347(2) 0.69825(4) 0.06514(16) 0.0306(4) Uani 1 1 d . . .
O2 O 0.42937(15) 0.59754(4) 0.04904(14) 0.0153(3) Uani 1 1 d . . .
O3 O 0.15120(15) 0.60942(4) -0.00225(14) 0.0160(3) Uani 1 1 d . . .
O4 O 0.26216(16) 0.55656(4) 0.19945(14) 0.0160(3) Uani 1 1 d . . .
Si1 Si 0.29181(6) 0.601312(14) 0.14246(5) 0.01101(10) Uani 1 1 d . . .
P1 P 0.39303(5) 0.700662(13) 0.49730(5) 0.01096(10) Uani 1 1 d . . .
P2 P 0.28051(6) 0.604503(14) 0.50546(5) 0.01203(10) Uani 1 1 d . . .
Rh1 Rh 0.332045(16) 0.649015(4) 0.328949(15) 0.00968(4) Uani 1 1 d . . .


_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 1.526(3) . ?
C1 P1 1.8463(19) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.533(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 P2 1.834(2) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.530(3) . ?
C4 C6 1.532(3) . ?
C4 P1 1.854(2) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.524(3) . ?
C7 C9 1.525(3) . ?
C7 P1 1.852(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 C11 1.529(3) . ?
C10 C12 1.530(3) . ?
C10 P2 1.855(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 1.530(3) . ?
C13 C15 1.535(3) . ?
C13 P2 1.862(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 O1 1.148(2) . ?
C16 Rh1 1.840(2) . ?
C17 O2 1.419(2) . ?
C17 C18 1.512(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 O3 1.414(2) . ?
C19 C20 1.506(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 O4 1.430(2) . ?
C21 C22 1.510(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
O2 Si1 1.6623(14) . ?
O3 Si1 1.6660(13) . ?
O4 Si1 1.6635(14) . ?
Si1 Rh1 2.3581(5) . ?
P1 Rh1 2.3524(5) . ?
P2 Rh1 2.3608(5) . ?

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 P1 115.99(13) . . ?
C2 C1 H1A 108.3 . . ?
P1 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
P1 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 C3 112.82(16) . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 P2 113.64(14) . . ?
C2 C3 H3A 108.8 . . ?
P2 C3 H3A 108.8 . . ?
C2 C3 H3B 108.8 . . ?
P2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C5 C4 C6 111.77(17) . . ?
C5 C4 P1 109.10(13) . . ?
C6 C4 P1 114.89(15) . . ?
C5 C4 H4 106.9 . . ?
C6 C4 H4 106.9 . . ?
P1 C4 H4 106.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 110.89(19) . . ?
C8 C7 P1 112.74(14) . . ?
C9 C7 P1 109.55(15) . . ?
C8 C7 H7 107.8 . . ?
C9 C7 H7 107.8 . . ?
P1 C7 H7 107.8 . . ?
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 . . ?
C11 C10 C12 110.52(18) . . ?
C11 C10 P2 109.60(13) . . ?
C12 C10 P2 115.79(15) . . ?
C11 C10 H10 106.8 . . ?
C12 C10 H10 106.8 . . ?
P2 C10 H10 106.8 . . ?
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 109.16(17) . . ?
C14 C13 P2 111.04(14) . . ?
C15 C13 P2 115.70(16) . . ?
C14 C13 H13 106.8 . . ?
C15 C13 H13 106.8 . . ?
P2 C13 H13 106.8 . . ?
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 . . ?
O1 C16 Rh1 176.96(19) . . ?
O2 C17 C18 111.11(17) . . ?
O2 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
O2 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O3 C19 C20 109.18(17) . . ?
O3 C19 H19A 109.8 . . ?
C20 C19 H19A 109.8 . . ?
O3 C19 H19B 109.8 . . ?
C20 C19 H19B 109.8 . . ?
H19A C19 H19B 108.3 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O4 C21 C22 108.91(17) . . ?
O4 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
O4 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C17 O2 Si1 124.42(12) . . ?
C19 O3 Si1 121.65(12) . . ?
C21 O4 Si1 121.91(12) . . ?
O2 Si1 O4 106.44(7) . . ?
O2 Si1 O3 96.37(7) . . ?
O4 Si1 O3 105.47(7) . . ?
O2 Si1 Rh1 115.15(5) . . ?
O4 Si1 Rh1 114.46(5) . . ?
O3 Si1 Rh1 116.94(5) . . ?
C1 P1 C7 100.29(9) . . ?
C1 P1 C4 103.02(9) . . ?
C7 P1 C4 103.67(9) . . ?
C1 P1 Rh1 120.81(6) . . ?
C7 P1 Rh1 114.21(7) . . ?
C4 P1 Rh1 112.71(6) . . ?
C3 P2 C10 102.82(9) . . ?
C3 P2 C13 104.74(9) . . ?
C10 P2 C13 106.04(9) . . ?
C3 P2 Rh1 114.84(7) . . ?
C10 P2 Rh1 112.01(7) . . ?
C13 P2 Rh1 115.23(7) . . ?
C16 Rh1 P1 94.10(6) . . ?
C16 Rh1 Si1 79.70(6) . . ?
P1 Rh1 Si1 172.494(19) . . ?
C16 Rh1 P2 168.55(6) . . ?
P1 Rh1 P2 94.243(18) . . ?
Si1 Rh1 P2 92.490(18) . . ?

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
P1 C1 C2 C3 -66.1(2) . . . . ?
C1 C2 C3 P2 86.76(19) . . . . ?
C18 C17 O2 Si1 96.96(19) . . . . ?
C20 C19 O3 Si1 171.33(14) . . . . ?
C22 C21 O4 Si1 -155.32(14) . . . . ?
C17 O2 Si1 O4 -87.13(15) . . . . ?
C17 O2 Si1 O3 164.64(14) . . . . ?
C17 O2 Si1 Rh1 40.85(15) . . . . ?
C21 O4 Si1 O2 -51.58(16) . . . . ?
C21 O4 Si1 O3 50.07(16) . . . . ?
C21 O4 Si1 Rh1 -179.97(13) . . . . ?
C19 O3 Si1 O2 -174.67(15) . . . . ?
C19 O3 Si1 O4 76.28(16) . . . . ?
C19 O3 Si1 Rh1 -52.23(16) . . . . ?
C2 C1 P1 C7 -109.80(16) . . . . ?
C2 C1 P1 C4 143.43(15) . . . . ?
C2 C1 P1 Rh1 16.61(18) . . . . ?
C8 C7 P1 C1 -165.15(16) . . . . ?
C9 C7 P1 C1 70.86(17) . . . . ?
C8 C7 P1 C4 -58.90(17) . . . . ?
C9 C7 P1 C4 177.11(15) . . . . ?
C8 C7 P1 Rh1 64.13(17) . . . . ?
C9 C7 P1 Rh1 -59.87(16) . . . . ?
C5 C4 P1 C1 -71.52(15) . . . . ?
C6 C4 P1 C1 54.88(17) . . . . ?
C5 C4 P1 C7 -175.70(14) . . . . ?
C6 C4 P1 C7 -49.31(17) . . . . ?
C5 C4 P1 Rh1 60.29(15) . . . . ?
C6 C4 P1 Rh1 -173.31(13) . . . . ?
C2 C3 P2 C10 -171.42(14) . . . . ?
C2 C3 P2 C13 77.91(16) . . . . ?
C2 C3 P2 Rh1 -49.49(16) . . . . ?
C11 C10 P2 C3 67.97(16) . . . . ?
C12 C10 P2 C3 -57.85(17) . . . . ?
C11 C10 P2 C13 177.66(14) . . . . ?
C12 C10 P2 C13 51.84(18) . . . . ?
C11 C10 P2 Rh1 -55.85(15) . . . . ?
C12 C10 P2 Rh1 178.32(14) . . . . ?
C14 C13 P2 C3 -98.34(16) . . . . ?
C15 C13 P2 C3 26.79(18) . . . . ?
C14 C13 P2 C10 153.34(15) . . . . ?
C15 C13 P2 C10 -81.54(17) . . . . ?
C14 C13 P2 Rh1 28.82(16) . . . . ?
C15 C13 P2 Rh1 153.95(14) . . . . ?
O1 C16 Rh1 P1 -123(4) . . . . ?
O1 C16 Rh1 Si1 61(4) . . . . ?
O1 C16 Rh1 P2 14(4) . . . . ?
C1 P1 Rh1 C16 179.91(10) . . . . ?
C7 P1 Rh1 C16 -60.33(10) . . . . ?
C4 P1 Rh1 C16 57.64(10) . . . . ?
C1 P1 Rh1 Si1 -145.95(14) . . . . ?
C7 P1 Rh1 Si1 -26.20(16) . . . . ?
C4 P1 Rh1 Si1 91.78(15) . . . . ?
C1 P1 Rh1 P2 7.75(8) . . . . ?
C7 P1 Rh1 P2 127.51(7) . . . . ?
C4 P1 Rh1 P2 -114.52(7) . . . . ?
O2 Si1 Rh1 C16 59.02(9) . . . . ?
O4 Si1 Rh1 C16 -177.13(9) . . . . ?
O3 Si1 Rh1 C16 -53.08(9) . . . . ?
O2 Si1 Rh1 P1 24.34(16) . . . . ?
O4 Si1 Rh1 P1 148.20(13) . . . . ?
O3 Si1 Rh1 P1 -87.76(15) . . . . ?
O2 Si1 Rh1 P2 -129.41(6) . . . . ?
O4 Si1 Rh1 P2 -5.56(6) . . . . ?
O3 Si1 Rh1 P2 118.49(6) . . . . ?
C3 P2 Rh1 C16 -130.3(3) . . . . ?
C10 P2 Rh1 C16 -13.5(3) . . . . ?
C13 P2 Rh1 C16 107.8(3) . . . . ?
C3 P2 Rh1 P1 6.40(8) . . . . ?
C10 P2 Rh1 P1 123.20(7) . . . . ?
C13 P2 Rh1 P1 -115.47(7) . . . . ?
C3 P2 Rh1 Si1 -176.92(8) . . . . ?
C10 P2 Rh1 Si1 -60.12(7) . . . . ?
C13 P2 Rh1 Si1 61.21(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.070
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex2_lzss4
_database_code_depnum_ccdc_archive 'CCDC 1050053'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H47 O4 P2 Rh Si'
_chemical_formula_sum            'C21 H47 O4 P2 Rh Si'
_chemical_formula_weight         556.52

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   18.0682(13)
_cell_length_b                   9.0148(6)
_cell_length_c                   17.3434(13)
_cell_angle_alpha                90
_cell_angle_beta                 101.737(3)
_cell_angle_gamma                90
_cell_volume                     2765.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2486
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      33.28

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_F_000             1176
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    0.798
_shelx_estimated_absorpt_T_min   0.8696
_shelx_estimated_absorpt_T_max   0.9103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6686
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            92126
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.399
_diffrn_reflns_theta_max         33.276
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10619
_reflns_number_gt                8644
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+1.4103P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10619
_refine_ls_number_parameters     293
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0695
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.32020(9) 1.02660(15) 0.07809(9) 0.0212(3) Uani 1 1 d . . . . .
H1A H 0.3566 1.1087 0.0931 0.025 Uiso 1 1 calc R U . . .
H1B H 0.2993 1.0343 0.0209 0.025 Uiso 1 1 calc R U . . .
C2 C 0.25616(9) 1.04170(15) 0.12298(9) 0.0204(3) Uani 1 1 d . . . . .
H2A H 0.2218 1.1222 0.0989 0.025 Uiso 1 1 calc R U . . .
H2B H 0.2777 1.0704 0.1781 0.025 Uiso 1 1 calc R U . . .
C3 C 0.41552(9) 0.82451(17) 0.01368(9) 0.0244(3) Uani 1 1 d . . . . .
H3 H 0.4385 0.9216 0.0035 0.029 Uiso 1 1 calc R U . . .
C4 C 0.47802(11) 0.7078(2) 0.02817(11) 0.0357(4) Uani 1 1 d . . . . .
H4A H 0.4566 0.6117 0.0385 0.053 Uiso 1 1 calc R U . . .
H4B H 0.5169 0.7368 0.0737 0.053 Uiso 1 1 calc R U . . .
H4C H 0.5007 0.6999 -0.0184 0.053 Uiso 1 1 calc R U . . .
C5 C 0.35629(11) 0.7835(2) -0.05927(10) 0.0343(4) Uani 1 1 d . . . . .
H5A H 0.3806 0.7747 -0.1047 0.051 Uiso 1 1 calc R U . . .
H5B H 0.3174 0.8610 -0.0695 0.051 Uiso 1 1 calc R U . . .
H5C H 0.3329 0.6887 -0.0504 0.051 Uiso 1 1 calc R U . . .
C6 C 0.44977(9) 0.88592(17) 0.18262(9) 0.0220(3) Uani 1 1 d . . . . .
H6 H 0.4821 0.7949 0.1897 0.026 Uiso 1 1 calc R U . . .
C7 C 0.50092(10) 1.0148(2) 0.16941(11) 0.0344(4) Uani 1 1 d . . . . .
H7A H 0.4723 1.1079 0.1657 0.052 Uiso 1 1 calc R U . . .
H7B H 0.5189 0.9987 0.1204 0.052 Uiso 1 1 calc R U . . .
H7C H 0.5443 1.0205 0.2136 0.052 Uiso 1 1 calc R U . . .
C8 C 0.42132(10) 0.9067(2) 0.25891(10) 0.0338(4) Uani 1 1 d . . . . .
H8A H 0.4643 0.9065 0.3036 0.051 Uiso 1 1 calc R U . . .
H8B H 0.3869 0.8254 0.2649 0.051 Uiso 1 1 calc R U . . .
H8C H 0.3944 1.0014 0.2572 0.051 Uiso 1 1 calc R U . . .
C9 C 0.15541(9) 0.89522(16) 0.20833(9) 0.0208(3) Uani 1 1 d . . . . .
H9 H 0.1150 0.8183 0.2046 0.025 Uiso 1 1 calc R U . . .
C10 C 0.21229(10) 0.86792(19) 0.28536(9) 0.0295(3) Uani 1 1 d . . . . .
H10A H 0.2517 0.9443 0.2921 0.044 Uiso 1 1 calc R U . . .
H10B H 0.2354 0.7699 0.2837 0.044 Uiso 1 1 calc R U . . .
H10C H 0.1862 0.8720 0.3296 0.044 Uiso 1 1 calc R U . . .
C11 C 0.11739(10) 1.04664(17) 0.20830(11) 0.0287(3) Uani 1 1 d . . . . .
H11A H 0.0926 1.0534 0.2535 0.043 Uiso 1 1 calc R U . . .
H11B H 0.0796 1.0587 0.1594 0.043 Uiso 1 1 calc R U . . .
H11C H 0.1556 1.1250 0.2120 0.043 Uiso 1 1 calc R U . . .
C12 C 0.12182(9) 0.89451(17) 0.03685(9) 0.0250(3) Uani 1 1 d . . . . .
H12 H 0.1059 1.0008 0.0366 0.030 Uiso 1 1 calc R U . . .
C13 C 0.05244(10) 0.8001(2) 0.04060(11) 0.0355(4) Uani 1 1 d . . . . .
H13A H 0.0133 0.8178 -0.0066 0.053 Uiso 1 1 calc R U . . .
H13B H 0.0330 0.8270 0.0875 0.053 Uiso 1 1 calc R U . . .
H13C H 0.0665 0.6950 0.0433 0.053 Uiso 1 1 calc R U . . .
C14 C 0.14835(11) 0.8662(2) -0.04015(10) 0.0328(4) Uani 1 1 d . . . . .
H14A H 0.1686 0.7653 -0.0398 0.049 Uiso 1 1 calc R U . . .
H14B H 0.1879 0.9378 -0.0453 0.049 Uiso 1 1 calc R U . . .
H14C H 0.1056 0.8773 -0.0846 0.049 Uiso 1 1 calc R U . . .
C15 C 0.34425(9) 0.50413(17) 0.12034(11) 0.0284(3) Uani 1 1 d . . . . .
C16 C 0.27252(10) 0.41515(18) 0.29383(9) 0.0267(3) Uani 1 1 d . . . . .
H16A H 0.2345 0.4422 0.3252 0.032 Uiso 1 1 calc R U . . .
H16B H 0.3029 0.5045 0.2884 0.032 Uiso 1 1 calc R U . . .
C17 C 0.32313(11) 0.2943(2) 0.33521(12) 0.0391(4) Uani 1 1 d . . . . .
H17A H 0.2931 0.2050 0.3388 0.059 Uiso 1 1 calc R U . . .
H17B H 0.3469 0.3275 0.3883 0.059 Uiso 1 1 calc R U . . .
H17C H 0.3624 0.2717 0.3054 0.059 Uiso 1 1 calc R U . . .
C18 C 0.14575(13) 0.4127(2) -0.00203(11) 0.0427(5) Uani 1 1 d . . . . .
H18A H 0.1741 0.5033 -0.0102 0.051 Uiso 1 1 calc R U . . .
H18B H 0.0912 0.4370 -0.0144 0.051 Uiso 1 1 calc R U . . .
C19 C 0.16112(18) 0.2958(3) -0.05587(13) 0.0588(7) Uani 1 1 d . . . . .
H19A H 0.2153 0.2727 -0.0444 0.088 Uiso 1 1 calc R U . . .
H19B H 0.1460 0.3304 -0.1104 0.088 Uiso 1 1 calc R U . . .
H19C H 0.1323 0.2065 -0.0487 0.088 Uiso 1 1 calc R U . . .
C20A C 0.07740(15) 0.4650(3) 0.22425(18) 0.0255(7) Uani 0.611(5) 1 d D . P A 1
H20A H 0.0583 0.5279 0.2628 0.031 Uiso 0.611(5) 1 calc R U P A 1
H20B H 0.1083 0.3841 0.2531 0.031 Uiso 0.611(5) 1 calc R U P A 1
C21A C 0.01291(18) 0.4024(4) 0.16514(19) 0.0366(8) Uani 0.611(5) 1 d D . P A 1
H21A H -0.0174 0.4837 0.1375 0.055 Uiso 0.611(5) 1 calc R U P A 1
H21B H -0.0187 0.3412 0.1922 0.055 Uiso 0.611(5) 1 calc R U P A 1
H21V H 0.0326 0.3415 0.1271 0.055 Uiso 0.611(5) 1 calc R U P A 1
C20B C 0.0543(3) 0.4583(5) 0.1719(3) 0.0299(12) Uani 0.389(5) 1 d D . P A -2
H20C H 0.0577 0.3714 0.1379 0.036 Uiso 0.389(5) 1 calc R U P A -2
H20D H 0.0078 0.5147 0.1499 0.036 Uiso 0.389(5) 1 calc R U P A -2
C21B C 0.0558(3) 0.4121(6) 0.2547(3) 0.0373(13) Uani 0.389(5) 1 d D . P A -2
H21D H 0.1023 0.3561 0.2748 0.056 Uiso 0.389(5) 1 calc R U P A -2
H21E H 0.0119 0.3494 0.2564 0.056 Uiso 0.389(5) 1 calc R U P A -2
H21F H 0.0544 0.5003 0.2874 0.056 Uiso 0.389(5) 1 calc R U P A -2
O1 O 0.38187(8) 0.40201(15) 0.11951(11) 0.0542(4) Uani 1 1 d . . . . .
O2 O 0.23565(6) 0.36468(11) 0.21826(6) 0.0230(2) Uani 1 1 d . . . . .
O3 O 0.16655(7) 0.36835(12) 0.07724(7) 0.0263(2) Uani 1 1 d . . . . .
O4 O 0.12261(7) 0.55365(13) 0.17981(9) 0.0382(3) Uani 1 1 d D . . . .
Si1 Si 0.19783(2) 0.48811(4) 0.14958(2) 0.01903(8) Uani 1 1 d . . . . .
P1 P 0.36978(2) 0.84768(4) 0.09924(2) 0.01639(7) Uani 1 1 d . . . . .
P2 P 0.20079(2) 0.86868(4) 0.12307(2) 0.01626(7) Uani 1 1 d . . . . .
Rh1 Rh 0.28340(2) 0.66800(2) 0.12210(2) 0.01584(3) Uani 1 1 d . . . . .


_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 1.527(2) . ?
C1 P1 1.8453(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 P2 1.8531(15) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C5 1.527(2) . ?
C3 C4 1.526(2) . ?
C3 P1 1.8513(15) . ?
C3 H3 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C8 1.525(2) . ?
C6 C7 1.531(2) . ?
C6 P1 1.8570(15) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.528(2) . ?
C9 C10 1.531(2) . ?
C9 P2 1.8464(15) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.527(2) . ?
C12 C14 1.529(2) . ?
C12 P2 1.8596(15) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 O1 1.146(2) . ?
C15 Rh1 1.8455(16) . ?
C16 O2 1.4189(19) . ?
C16 C17 1.507(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O3 1.407(2) . ?
C18 C19 1.471(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20A O4 1.468(3) . ?
C20A C21A 1.497(4) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21V 0.9800 . ?
C20B O4 1.487(5) . ?
C20B C21B 1.491(7) . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
C21B H21D 0.9800 . ?
C21B H21E 0.9800 . ?
C21B H21F 0.9800 . ?
O2 Si1 1.6712(11) . ?
O3 Si1 1.6646(12) . ?
O4 Si1 1.6615(13) . ?
Si1 Rh1 2.3552(4) . ?
P1 Rh1 2.3386(4) . ?
P2 Rh1 2.3475(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
C2 C1 P1 111.36(9) . . ?
C2 C1 H1A 109.4 . . ?
P1 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
P1 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C1 C2 P2 113.00(10) . . ?
C1 C2 H2A 109.0 . . ?
P2 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
P2 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C5 C3 C4 109.88(14) . . ?
C5 C3 P1 109.85(11) . . ?
C4 C3 P1 112.44(12) . . ?
C5 C3 H3 108.2 . . ?
C4 C3 H3 108.2 . . ?
P1 C3 H3 108.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C6 C7 110.91(14) . . ?
C8 C6 P1 110.61(11) . . ?
C7 C6 P1 114.98(11) . . ?
C8 C6 H6 106.6 . . ?
C7 C6 H6 106.6 . . ?
P1 C6 H6 106.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 111.46(13) . . ?
C11 C9 P2 112.85(11) . . ?
C10 C9 P2 110.45(11) . . ?
C11 C9 H9 107.3 . . ?
C10 C9 H9 107.3 . . ?
P2 C9 H9 107.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 110.49(14) . . ?
C13 C12 P2 113.46(11) . . ?
C14 C12 P2 110.84(11) . . ?
C13 C12 H12 107.2 . . ?
C14 C12 H12 107.2 . . ?
P2 C12 H12 107.2 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Rh1 179.66(18) . . ?
O2 C16 C17 109.48(13) . . ?
O2 C16 H16A 109.8 . . ?
C17 C16 H16A 109.8 . . ?
O2 C16 H16B 109.8 . . ?
C17 C16 H16B 109.8 . . ?
H16A C16 H16B 108.2 . . ?
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 . . ?
O3 C18 C19 111.69(16) . . ?
O3 C18 H18A 109.3 . . ?
C19 C18 H18A 109.3 . . ?
O3 C18 H18B 109.3 . . ?
C19 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O4 C20A C21A 106.5(2) . . ?
O4 C20A H20A 110.4 . . ?
C21A C20A H20A 110.4 . . ?
O4 C20A H20B 110.4 . . ?
C21A C20A H20B 110.4 . . ?
H20A C20A H20B 108.6 . . ?
C20A C21A H21A 109.5 . . ?
C20A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C20A C21A H21V 109.5 . . ?
H21A C21A H21V 109.5 . . ?
H21B C21A H21V 109.5 . . ?
O4 C20B C21B 102.7(4) . . ?
O4 C20B H20C 111.2 . . ?
C21B C20B H20C 111.2 . . ?
O4 C20B H20D 111.2 . . ?
C21B C20B H20D 111.2 . . ?
H20C C20B H20D 109.1 . . ?
C20B C21B H21D 109.5 . . ?
C20B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C20B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C16 O2 Si1 119.47(9) . . ?
C18 O3 Si1 122.31(11) . . ?
C20A O4 Si1 123.38(13) . . ?
C20B O4 Si1 118.8(2) . . ?
O4 Si1 O3 107.12(7) . . ?
O4 Si1 O2 104.71(7) . . ?
O3 Si1 O2 97.60(5) . . ?
O4 Si1 Rh1 115.58(4) . . ?
O3 Si1 Rh1 115.48(5) . . ?
O2 Si1 Rh1 114.37(4) . . ?
C1 P1 C3 102.54(7) . . ?
C1 P1 C6 105.19(7) . . ?
C3 P1 C6 103.98(7) . . ?
C1 P1 Rh1 108.99(5) . . ?
C3 P1 Rh1 118.68(5) . . ?
C6 P1 Rh1 115.92(5) . . ?
C9 P2 C2 102.67(7) . . ?
C9 P2 C12 103.57(7) . . ?
C2 P2 C12 102.71(7) . . ?
C9 P2 Rh1 119.48(5) . . ?
C2 P2 Rh1 107.73(5) . . ?
C12 P2 Rh1 118.40(5) . . ?
C15 Rh1 P1 97.53(5) . . ?
C15 Rh1 P2 177.18(5) . . ?
P1 Rh1 P2 85.107(14) . . ?
C15 Rh1 Si1 82.53(5) . . ?
P1 Rh1 Si1 178.130(14) . . ?
P2 Rh1 Si1 94.859(15) . . ?

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
P1 C1 C2 P2 -41.92(13) . . . . ?
C17 C16 O2 Si1 -161.26(12) . . . . ?
C19 C18 O3 Si1 148.04(17) . . . . ?
C21A C20A O4 C20B -0.3(3) . . . . ?
C21A C20A O4 Si1 -94.7(2) . . . . ?
C21B C20B O4 C20A -1.7(3) . . . . ?
C21B C20B O4 Si1 106.5(3) . . . . ?
C20A O4 Si1 O3 71.05(18) . . . . ?
C20B O4 Si1 O3 28.7(2) . . . . ?
C20A O4 Si1 O2 -31.90(19) . . . . ?
C20B O4 Si1 O2 -74.2(2) . . . . ?
C20A O4 Si1 Rh1 -158.67(16) . . . . ?
C20B O4 Si1 Rh1 159.0(2) . . . . ?
C18 O3 Si1 O4 88.37(16) . . . . ?
C18 O3 Si1 O2 -163.62(15) . . . . ?
C18 O3 Si1 Rh1 -41.97(16) . . . . ?
C16 O2 Si1 O4 -71.30(13) . . . . ?
C16 O2 Si1 O3 178.69(12) . . . . ?
C16 O2 Si1 Rh1 56.21(12) . . . . ?
C2 C1 P1 C3 158.89(11) . . . . ?
C2 C1 P1 C6 -92.64(11) . . . . ?
C2 C1 P1 Rh1 32.27(12) . . . . ?
C5 C3 P1 C1 -73.74(13) . . . . ?
C4 C3 P1 C1 163.57(12) . . . . ?
C5 C3 P1 C6 176.87(12) . . . . ?
C4 C3 P1 C6 54.18(13) . . . . ?
C5 C3 P1 Rh1 46.36(13) . . . . ?
C4 C3 P1 Rh1 -76.33(13) . . . . ?
C8 C6 P1 C1 73.10(13) . . . . ?
C7 C6 P1 C1 -53.48(14) . . . . ?
C8 C6 P1 C3 -179.48(12) . . . . ?
C7 C6 P1 C3 53.94(14) . . . . ?
C8 C6 P1 Rh1 -47.35(13) . . . . ?
C7 C6 P1 Rh1 -173.93(11) . . . . ?
C11 C9 P2 C2 48.62(13) . . . . ?
C10 C9 P2 C2 -76.89(12) . . . . ?
C11 C9 P2 C12 -58.01(13) . . . . ?
C10 C9 P2 C12 176.48(11) . . . . ?
C11 C9 P2 Rh1 167.68(9) . . . . ?
C10 C9 P2 Rh1 42.16(12) . . . . ?
C1 C2 P2 C9 159.37(11) . . . . ?
C1 C2 P2 C12 -93.34(12) . . . . ?
C1 C2 P2 Rh1 32.39(11) . . . . ?
C13 C12 P2 C9 -51.31(14) . . . . ?
C14 C12 P2 C9 -176.31(11) . . . . ?
C13 C12 P2 C2 -157.92(12) . . . . ?
C14 C12 P2 C2 77.09(12) . . . . ?
C13 C12 P2 Rh1 83.60(13) . . . . ?
C14 C12 P2 Rh1 -41.39(13) . . . . ?

_refine_diff_density_max         1.036
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.090

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex3_lz176b
_database_code_depnum_ccdc_archive 'CCDC 1050054'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H37 O P2 Rh'
_chemical_formula_sum            'C17 H37 O P2 Rh'
_chemical_formula_weight         422.32

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'
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   P21/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                   9.9502(3)
_cell_length_b                   14.1139(3)
_cell_length_c                   14.7797(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.631(2)
_cell_angle_gamma                90.00
_cell_volume                     2008.30(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    56749
_cell_measurement_theta_min      4.69
_cell_measurement_theta_max      29.57

_exptl_crystal_description       fragment
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.36
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_exptl_absorpt_coefficient_mu    1.008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6433
_exptl_absorpt_correction_T_max  0.7130
_exptl_absorpt_process_details   'PLATON, 1990'
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'STOE, IPDS 2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            38768
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0162
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.70
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4596
_reflns_number_gt                4203
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0213P)²+0.8303P] where P=(Fo²+2Fc²)/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         4596
_refine_ls_number_parameters     198
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_ref         0.0430
_refine_ls_wR_factor_gt          0.0421
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.163
_refine_ls_shift/su_max          0.003
_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
Rh1 Rh 0.742346(11) 0.228603(8) 0.269322(7) 0.01025(4) Uani 1 1 d DU . .
P1 P 0.91161(4) 0.25708(3) 0.19030(2) 0.00958(7) Uani 1 1 d . A .
P2 P 0.59606(4) 0.34903(3) 0.19479(2) 0.01010(7) Uani 1 1 d . A .
O1A O 0.5298(3) 0.16052(18) 0.36458(18) 0.0208(2) Uani 0.471(2) 1 d PDU A 1
C16A C 0.6043(7) 0.1885(6) 0.3332(5) 0.0208(2) Uani 0.471(2) 1 d PDU A 1
C17A C 0.8460(6) 0.1049(3) 0.3293(4) 0.0208(2) Uani 0.471(2) 1 d PDU A 1
H17A H 0.9310 0.0967 0.3081 0.031 Uiso 0.471(2) 1 calc PR A 1
H17B H 0.7852 0.0500 0.3101 0.031 Uiso 0.471(2) 1 calc PR A 1
H17C H 0.8700 0.1104 0.3976 0.031 Uiso 0.471(2) 1 calc PR A 1
O1B O 0.8951(2) 0.06154(16) 0.36915(16) 0.0208(2) Uani 0.529(2) 1 d PDU A -2
C16B C 0.5921(7) 0.1882(6) 0.3423(4) 0.0208(2) Uani 0.529(2) 1 d PDU A -2
H16A H 0.6101 0.1230 0.3650 0.031 Uiso 0.529(2) 1 calc PR A -2
H16B H 0.4989 0.1921 0.3000 0.031 Uiso 0.529(2) 1 calc PR A -2
H16C H 0.5981 0.2308 0.3955 0.031 Uiso 0.529(2) 1 calc PR A -2
C17B C 0.8470(5) 0.1261(2) 0.3339(4) 0.0208(2) Uani 0.529(2) 1 d PDU A -2
C1 C 0.88027(15) 0.34755(11) 0.09758(10) 0.0141(3) Uani 1 1 d . . .
H1A H 0.9712 0.3681 0.0886 0.017 Uiso 1 1 calc R A .
H1B H 0.8282 0.3177 0.0385 0.017 Uiso 1 1 calc R . .
C2 C 0.80054(16) 0.43551(11) 0.11477(11) 0.0153(3) Uani 1 1 d . A .
H2A H 0.8129 0.4861 0.0712 0.018 Uiso 1 1 calc R . .
H2B H 0.8410 0.4584 0.1792 0.018 Uiso 1 1 calc R . .
C3 C 0.64485(15) 0.41835(11) 0.10205(10) 0.0145(3) Uani 1 1 d . . .
H3A H 0.6085 0.3852 0.0418 0.017 Uiso 1 1 calc R A .
H3B H 0.5979 0.4806 0.0975 0.017 Uiso 1 1 calc R . .
C4 C 0.42401(15) 0.30190(11) 0.13182(10) 0.0132(3) Uani 1 1 d . . .
H4 H 0.3807 0.2742 0.1800 0.016 Uiso 1 1 calc R A .
C5 C 0.44309(16) 0.22084(12) 0.06759(11) 0.0179(3) Uani 1 1 d . A .
H5A H 0.3528 0.1916 0.0395 0.027 Uiso 1 1 calc R . .
H5B H 0.5058 0.1733 0.1040 0.027 Uiso 1 1 calc R . .
H5C H 0.4828 0.2456 0.0181 0.027 Uiso 1 1 calc R . .
C6 C 0.32295(17) 0.37611(12) 0.07806(12) 0.0219(3) Uani 1 1 d . A .
H6A H 0.3612 0.4043 0.0293 0.033 Uiso 1 1 calc R . .
H6B H 0.3091 0.4257 0.1212 0.033 Uiso 1 1 calc R . .
H6C H 0.2337 0.3459 0.0492 0.033 Uiso 1 1 calc R . .
C7 C 0.55328(16) 0.44553(11) 0.26789(11) 0.0161(3) Uani 1 1 d . . .
H7 H 0.4925 0.4919 0.2251 0.019 Uiso 1 1 calc R A .
C8 C 0.68509(19) 0.49742(13) 0.31849(13) 0.0261(4) Uani 1 1 d . A .
H8A H 0.6625 0.5447 0.3609 0.039 Uiso 1 1 calc R . .
H8B H 0.7257 0.5290 0.2726 0.039 Uiso 1 1 calc R . .
H8C H 0.7519 0.4519 0.3545 0.039 Uiso 1 1 calc R . .
C9 C 0.47491(19) 0.41177(14) 0.33817(13) 0.0265(4) Uani 1 1 d . A .
H9A H 0.5355 0.3710 0.3848 0.040 Uiso 1 1 calc R . .
H9B H 0.3926 0.3759 0.3055 0.040 Uiso 1 1 calc R . .
H9C H 0.4462 0.4667 0.3694 0.040 Uiso 1 1 calc R . .
C10 C 1.08606(15) 0.29211(11) 0.26156(10) 0.0137(3) Uani 1 1 d . . .
H10 H 1.1460 0.3053 0.2179 0.016 Uiso 1 1 calc R A .
C11 C 1.15624(18) 0.21459(12) 0.32935(12) 0.0235(4) Uani 1 1 d . A .
H11A H 1.2506 0.2346 0.3613 0.035 Uiso 1 1 calc R . .
H11B H 1.1604 0.1560 0.2946 0.035 Uiso 1 1 calc R . .
H11C H 1.1027 0.2035 0.3756 0.035 Uiso 1 1 calc R . .
C12 C 1.07680(17) 0.38287(12) 0.31575(12) 0.0217(3) Uani 1 1 d . A .
H12A H 1.0053 0.3756 0.3503 0.032 Uiso 1 1 calc R . .
H12B H 1.0525 0.4360 0.2720 0.032 Uiso 1 1 calc R . .
H12C H 1.1667 0.3953 0.3598 0.032 Uiso 1 1 calc R . .
C13 C 0.94622(15) 0.15050(11) 0.12676(10) 0.0135(3) Uani 1 1 d . . .
H13 H 0.9852 0.1014 0.1750 0.016 Uiso 1 1 calc R A .
C14 C 0.81018(18) 0.11100(13) 0.06642(12) 0.0233(3) Uani 1 1 d . A .
H14A H 0.7695 0.1566 0.0171 0.035 Uiso 1 1 calc R . .
H14B H 0.7454 0.0998 0.1054 0.035 Uiso 1 1 calc R . .
H14C H 0.8283 0.0512 0.0380 0.035 Uiso 1 1 calc R . .
C15 C 1.05217(19) 0.16472(13) 0.06909(12) 0.0229(3) Uani 1 1 d . A .
H15A H 1.0700 0.1040 0.0421 0.034 Uiso 1 1 calc R . .
H15B H 1.1390 0.1892 0.1094 0.034 Uiso 1 1 calc R . .
H15C H 1.0156 0.2101 0.0187 0.034 Uiso 1 1 calc R . .


_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
Rh1 C17B 1.894(4) . ?
Rh1 C16A 1.937(5) . ?
Rh1 C17A 2.106(5) . ?
Rh1 C16B 2.131(5) . ?
Rh1 P1 2.3143(4) . ?
Rh1 P2 2.3262(4) . ?
P1 C1 1.8410(15) . ?
P1 C13 1.8512(15) . ?
P1 C10 1.8556(15) . ?
P2 C3 1.8459(15) . ?
P2 C4 1.8532(15) . ?
P2 C7 1.8536(16) . ?
O1A C16A 1.047(6) . ?
C17A H17A 0.9800 . ?
C17A H17B 0.9800 . ?
C17A H17C 0.9800 . ?
O1B C17B 1.098(5) . ?
C16B H16A 0.9800 . ?
C16B H16B 0.9800 . ?
C16B H16C 0.9800 . ?
C1 C2 1.529(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.532(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C6 1.528(2) . ?
C4 C5 1.529(2) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.523(2) . ?
C7 C9 1.524(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 1.526(2) . ?
C10 C11 1.528(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 1.526(2) . ?
C13 C15 1.527(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 . ?

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
C17B Rh1 C16A 84.2(3) . . ?
C17B Rh1 C17A 6.4(3) . . ?
C16A Rh1 C17A 83.4(3) . . ?
C17B Rh1 C16B 84.7(2) . . ?
C16A Rh1 C16B 1.8(5) . . ?
C17A Rh1 C16B 84.1(3) . . ?
C17B Rh1 P1 90.53(16) . . ?
C16A Rh1 P1 173.0(3) . . ?
C17A Rh1 P1 90.86(17) . . ?
C16B Rh1 P1 174.4(2) . . ?
C17B Rh1 P2 174.59(16) . . ?
C16A Rh1 P2 90.5(2) . . ?
C17A Rh1 P2 170.52(15) . . ?
C16B Rh1 P2 90.0(2) . . ?
P1 Rh1 P2 94.713(13) . . ?
C1 P1 C13 101.78(7) . . ?
C1 P1 C10 101.30(7) . . ?
C13 P1 C10 103.72(7) . . ?
C1 P1 Rh1 119.22(5) . . ?
C13 P1 Rh1 111.54(5) . . ?
C10 P1 Rh1 117.10(5) . . ?
C3 P2 C4 101.55(7) . . ?
C3 P2 C7 100.69(7) . . ?
C4 P2 C7 103.74(7) . . ?
C3 P2 Rh1 119.24(5) . . ?
C4 P2 Rh1 111.32(5) . . ?
C7 P2 Rh1 117.98(5) . . ?
O1A C16A Rh1 174.5(8) . . ?
Rh1 C17A H17A 109.5 . . ?
Rh1 C17A H17B 109.5 . . ?
Rh1 C17A H17C 109.5 . . ?
Rh1 C16B H16A 109.5 . . ?
Rh1 C16B H16B 109.5 . . ?
H16A C16B H16B 109.5 . . ?
Rh1 C16B H16C 109.5 . . ?
H16A C16B H16C 109.5 . . ?
H16B C16B H16C 109.5 . . ?
O1B C17B Rh1 172.6(4) . . ?
C2 C1 P1 115.91(10) . . ?
C2 C1 H1A 108.3 . . ?
P1 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
P1 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C1 C2 C3 113.72(13) . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2B 108.8 . . ?
C3 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C2 C3 P2 116.11(10) . . ?
C2 C3 H3A 108.3 . . ?
P2 C3 H3A 108.3 . . ?
C2 C3 H3B 108.3 . . ?
P2 C3 H3B 108.3 . . ?
H3A C3 H3B 107.4 . . ?
C6 C4 C5 111.01(13) . . ?
C6 C4 P2 114.71(11) . . ?
C5 C4 P2 109.67(10) . . ?
C6 C4 H4 107.0 . . ?
C5 C4 H4 107.0 . . ?
P2 C4 H4 107.0 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 109.94(14) . . ?
C8 C7 P2 110.08(11) . . ?
C9 C7 P2 113.57(11) . . ?
C8 C7 H7 107.7 . . ?
C9 C7 H7 107.7 . . ?
P2 C7 H7 107.7 . . ?
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 109.58(13) . . ?
C12 C10 P1 110.47(10) . . ?
C11 C10 P1 112.86(11) . . ?
C12 C10 H10 107.9 . . ?
C11 C10 H10 107.9 . . ?
P1 C10 H10 107.9 . . ?
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 110.94(13) . . ?
C14 C13 P1 110.01(10) . . ?
C15 C13 P1 114.80(11) . . ?
C14 C13 H13 106.9 . . ?
C15 C13 H13 106.9 . . ?
P1 C13 H13 106.9 . . ?
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 . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.057
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex4_lzss4c
_database_code_depnum_ccdc_archive 'CCDC 1050055'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H70 O2 P4 Rh2'
_chemical_formula_sum            'C16 H35 O P2 Rh'
_chemical_formula_weight         408.29

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'
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  -P1

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

_cell_length_a                   7.5908(4)
_cell_length_b                   14.1700(7)
_cell_length_c                   18.0805(8)
_cell_angle_alpha                93.3930(19)
_cell_angle_beta                 95.2970(18)
_cell_angle_gamma                90.2790(19)
_cell_volume                     1932.96(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      43.86

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             856
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6524
_exptl_absorpt_correction_T_max  0.7487
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            177204
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.27
_diffrn_reflns_theta_max         44.31
_reflns_number_total             30661
_reflns_number_gt                23469
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0355P)²+1.1171P] where P=(Fo²+2Fc²)/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         30661
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0857
_refine_ls_wR_factor_gt          0.0786
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.028
_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 0.67534(18) 0.19557(9) 0.31182(7) 0.0179(2) Uani 1 1 d . . .
H1A H 0.5852 0.2122 0.3465 0.021 Uiso 1 1 calc R . .
H1B H 0.7658 0.2467 0.3171 0.021 Uiso 1 1 calc R . .
C2 C 0.58711(17) 0.18940(9) 0.23184(7) 0.01712(19) Uani 1 1 d . . .
H2A H 0.5782 0.2537 0.2133 0.021 Uiso 1 1 calc R . .
H2B H 0.4656 0.1636 0.2316 0.021 Uiso 1 1 calc R . .
C3 C 0.95724(18) 0.12095(10) 0.41147(7) 0.0205(2) Uani 1 1 d . . .
H3 H 1.0097 0.0619 0.4314 0.025 Uiso 1 1 calc R . .
C4 C 1.1060(2) 0.17259(13) 0.37779(9) 0.0294(3) Uani 1 1 d . . .
H4A H 1.0641 0.2344 0.3625 0.044 Uiso 1 1 calc R . .
H4B H 1.1409 0.1350 0.3344 0.044 Uiso 1 1 calc R . .
H4C H 1.2080 0.1813 0.4150 0.044 Uiso 1 1 calc R . .
C5 C 0.8944(2) 0.17891(12) 0.47758(8) 0.0287(3) Uani 1 1 d . . .
H5A H 0.9957 0.1953 0.5137 0.043 Uiso 1 1 calc R . .
H5B H 0.8082 0.1418 0.5011 0.043 Uiso 1 1 calc R . .
H5C H 0.8388 0.2369 0.4604 0.043 Uiso 1 1 calc R . .
C6 C 0.61348(19) 0.02833(10) 0.39049(7) 0.0207(2) Uani 1 1 d . . .
H6 H 0.5687 0.0781 0.4254 0.025 Uiso 1 1 calc R . .
C7 C 0.4578(2) -0.00964(14) 0.33766(10) 0.0320(3) Uani 1 1 d . . .
H7A H 0.5001 -0.0565 0.3015 0.048 Uiso 1 1 calc R . .
H7B H 0.4019 0.0426 0.3114 0.048 Uiso 1 1 calc R . .
H7C H 0.3713 -0.0394 0.3662 0.048 Uiso 1 1 calc R . .
C8 C 0.6910(2) -0.05145(12) 0.43618(9) 0.0300(3) Uani 1 1 d . . .
H8A H 0.5970 -0.0810 0.4608 0.045 Uiso 1 1 calc R . .
H8B H 0.7825 -0.0257 0.4738 0.045 Uiso 1 1 calc R . .
H8C H 0.7432 -0.0988 0.4033 0.045 Uiso 1 1 calc R . .
C9 C 0.84539(17) 0.19965(9) 0.12359(7) 0.01779(19) Uani 1 1 d . . .
H9 H 0.7643 0.2502 0.1049 0.021 Uiso 1 1 calc R . .
C10 C 0.9874(2) 0.24625(12) 0.17957(9) 0.0296(3) Uani 1 1 d . . .
H10A H 1.0690 0.1980 0.1985 0.044 Uiso 1 1 calc R . .
H10B H 0.9313 0.2774 0.2210 0.044 Uiso 1 1 calc R . .
H10C H 1.0532 0.2932 0.1551 0.044 Uiso 1 1 calc R . .
C11 C 0.9312(2) 0.15402(11) 0.05737(8) 0.0245(2) Uani 1 1 d . . .
H11A H 1.0006 0.2017 0.0353 0.037 Uiso 1 1 calc R . .
H11B H 0.8389 0.1281 0.0201 0.037 Uiso 1 1 calc R . .
H11C H 1.0090 0.1031 0.0742 0.037 Uiso 1 1 calc R . .
C12 C 0.54367(16) 0.07032(8) 0.09440(6) 0.01564(18) Uani 1 1 d . . .
H12 H 0.6082 0.0356 0.0555 0.019 Uiso 1 1 calc R . .
C13 C 0.4205(2) -0.00183(11) 0.12376(8) 0.0239(2) Uani 1 1 d . . .
H13A H 0.3473 0.0303 0.1592 0.036 Uiso 1 1 calc R . .
H13B H 0.4913 -0.0503 0.1487 0.036 Uiso 1 1 calc R . .
H13C H 0.3441 -0.0316 0.0821 0.036 Uiso 1 1 calc R . .
C14 C 0.43944(19) 0.14857(10) 0.05577(8) 0.0223(2) Uani 1 1 d . . .
H14A H 0.3525 0.1202 0.0173 0.033 Uiso 1 1 calc R . .
H14B H 0.5209 0.1893 0.0328 0.033 Uiso 1 1 calc R . .
H14C H 0.3781 0.1863 0.0925 0.033 Uiso 1 1 calc R . .
C15 C 0.99481(18) -0.08993(9) 0.29028(9) 0.0220(2) Uani 1 1 d . . .
C16 C 0.9129(2) -0.07682(10) 0.13489(9) 0.0267(3) Uani 1 1 d . . .
H16A H 1.0328 -0.1025 0.1399 0.040 Uiso 1 1 calc R . .
H16B H 0.9021 -0.0343 0.0939 0.040 Uiso 1 1 calc R . .
H16C H 0.8270 -0.1288 0.1245 0.040 Uiso 1 1 calc R . .
C17 C 0.72843(18) 0.69687(8) 0.30946(7) 0.01748(19) Uani 1 1 d . . .
H17A H 0.6398 0.7469 0.3165 0.021 Uiso 1 1 calc R . .
H17B H 0.8364 0.7145 0.3425 0.021 Uiso 1 1 calc R . .
C18 C 0.77319(17) 0.69192(9) 0.22820(7) 0.01685(19) Uani 1 1 d . . .
H18A H 0.8944 0.6672 0.2257 0.020 Uiso 1 1 calc R . .
H18B H 0.7709 0.7564 0.2099 0.020 Uiso 1 1 calc R . .
C19 C 0.50374(19) 0.61861(9) 0.41330(7) 0.0199(2) Uani 1 1 d . . .
H19 H 0.4639 0.5589 0.4338 0.024 Uiso 1 1 calc R . .
C20 C 0.6007(2) 0.67716(12) 0.47822(8) 0.0287(3) Uani 1 1 d . . .
H20A H 0.6438 0.7363 0.4605 0.043 Uiso 1 1 calc R . .
H20B H 0.7010 0.6413 0.4996 0.043 Uiso 1 1 calc R . .
H20C H 0.5194 0.6915 0.5164 0.043 Uiso 1 1 calc R . .
C21 C 0.3363(2) 0.66852(12) 0.38266(9) 0.0280(3) Uani 1 1 d . . .
H21A H 0.2524 0.6733 0.4207 0.042 Uiso 1 1 calc R . .
H21B H 0.2821 0.6321 0.3385 0.042 Uiso 1 1 calc R . .
H21C H 0.3674 0.7320 0.3691 0.042 Uiso 1 1 calc R . .
C22 C 0.83755(18) 0.52978(10) 0.38555(7) 0.0205(2) Uani 1 1 d . . .
H22 H 0.9010 0.5800 0.4192 0.025 Uiso 1 1 calc R . .
C23 C 0.7878(2) 0.44958(12) 0.43268(9) 0.0295(3) Uani 1 1 d . . .
H23A H 0.7177 0.4018 0.4012 0.044 Uiso 1 1 calc R . .
H23B H 0.7181 0.4747 0.4722 0.044 Uiso 1 1 calc R . .
H23C H 0.8956 0.4207 0.4549 0.044 Uiso 1 1 calc R . .
C24 C 0.9626(2) 0.49314(15) 0.32932(10) 0.0332(3) Uani 1 1 d . . .
H24A H 1.0660 0.4647 0.3556 0.050 Uiso 1 1 calc R . .
H24B H 1.0012 0.5457 0.3016 0.050 Uiso 1 1 calc R . .
H24C H 0.9011 0.4455 0.2946 0.050 Uiso 1 1 calc R . .
C25 C 0.45703(16) 0.70036(8) 0.12543(7) 0.01667(18) Uani 1 1 d . . .
H25 H 0.5265 0.7529 0.1071 0.020 Uiso 1 1 calc R . .
C26 C 0.3414(2) 0.74304(12) 0.18361(9) 0.0279(3) Uani 1 1 d . . .
H26A H 0.2600 0.7886 0.1606 0.042 Uiso 1 1 calc R . .
H26B H 0.4168 0.7752 0.2245 0.042 Uiso 1 1 calc R . .
H26C H 0.2734 0.6926 0.2031 0.042 Uiso 1 1 calc R . .
C27 C 0.34081(19) 0.65494(11) 0.05911(8) 0.0233(2) Uani 1 1 d . . .
H27A H 0.2740 0.6018 0.0754 0.035 Uiso 1 1 calc R . .
H27B H 0.4156 0.6320 0.0206 0.035 Uiso 1 1 calc R . .
H27C H 0.2583 0.7019 0.0388 0.035 Uiso 1 1 calc R . .
C28 C 0.74351(16) 0.57491(9) 0.08950(7) 0.01621(18) Uani 1 1 d . . .
H28 H 0.6577 0.5430 0.0505 0.019 Uiso 1 1 calc R . .
C29 C 0.83195(19) 0.65492(10) 0.05279(8) 0.0217(2) Uani 1 1 d . . .
H29A H 0.9195 0.6872 0.0890 0.033 Uiso 1 1 calc R . .
H29B H 0.7421 0.7001 0.0356 0.033 Uiso 1 1 calc R . .
H29C H 0.8908 0.6287 0.0103 0.033 Uiso 1 1 calc R . .
C30 C 0.8777(2) 0.50041(11) 0.11448(9) 0.0253(3) Uani 1 1 d . . .
H30A H 0.9310 0.4724 0.0711 0.038 Uiso 1 1 calc R . .
H30B H 0.8178 0.4509 0.1387 0.038 Uiso 1 1 calc R . .
H30C H 0.9704 0.5302 0.1497 0.038 Uiso 1 1 calc R . .
C31 C 0.40584(18) 0.40906(9) 0.29234(8) 0.0210(2) Uani 1 1 d . . .
C32 C 0.3976(2) 0.42406(10) 0.13658(9) 0.0254(3) Uani 1 1 d . . .
H32A H 0.4189 0.3563 0.1405 0.038 Uiso 1 1 calc R . .
H32B H 0.4546 0.4462 0.0942 0.038 Uiso 1 1 calc R . .
H32C H 0.2700 0.4351 0.1292 0.038 Uiso 1 1 calc R . .
O1 O 1.07372(18) -0.14288(10) 0.32207(9) 0.0391(3) Uani 1 1 d . . .
O2 O 0.34492(18) 0.35606(10) 0.32635(9) 0.0373(3) Uani 1 1 d . . .
P1 P 0.78125(4) 0.08321(2) 0.337766(16) 0.01355(5) Uani 1 1 d . . .
P2 P 0.71269(4) 0.11349(2) 0.168873(16) 0.01197(4) Uani 1 1 d . . .
P3 P 0.64012(4) 0.58315(2) 0.336609(16) 0.01341(5) Uani 1 1 d . . .
P4 P 0.61579(4) 0.61527(2) 0.167294(16) 0.01157(4) Uani 1 1 d . . .
Rh1 Rh 0.863022(11) -0.000705(6) 0.235421(5) 0.01124(2) Uani 1 1 d . . .
Rh2 Rh 0.504726(11) 0.499087(6) 0.235873(5) 0.01114(2) Uani 1 1 d . . .


_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 1.5340(17) . ?
C1 P1 1.8527(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 P2 1.8513(12) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C5 1.524(2) . ?
C3 C4 1.534(2) . ?
C3 P1 1.8510(13) . ?
C3 H3 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.524(2) . ?
C6 C8 1.528(2) . ?
C6 P1 1.8540(14) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.527(2) . ?
C9 C10 1.528(2) . ?
C9 P2 1.8532(12) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.5302(17) . ?
C12 C13 1.5322(19) . ?
C12 P2 1.8464(12) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 O1 1.1153(19) . ?
C15 Rh1 1.8870(15) . ?
C16 Rh1 2.1236(16) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.5360(17) . ?
C17 P3 1.8522(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 P4 1.8501(12) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.5254(19) . ?
C19 C21 1.532(2) . ?
C19 P3 1.8533(13) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.525(2) . ?
C22 C23 1.527(2) . ?
C22 P3 1.8564(14) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.5291(19) . ?
C25 C26 1.5306(19) . ?
C25 P4 1.8527(12) . ?
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 1.5290(19) . ?
C28 C29 1.5298(18) . ?
C28 P4 1.8460(12) . ?
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 O2 1.1223(18) . ?
C31 Rh2 1.8761(14) . ?
C32 Rh2 2.1237(16) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
P1 Rh1 2.2765(3) . ?
P2 Rh1 2.3158(3) . ?
P3 Rh2 2.2756(3) . ?
P4 Rh2 2.3194(3) . ?

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 P1 112.33(8) . . ?
C2 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.9 . . ?
C1 C2 P2 111.87(8) . . ?
C1 C2 H2A 109.2 . . ?
P2 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
P2 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C5 C3 C4 111.11(13) . . ?
C5 C3 P1 115.15(10) . . ?
C4 C3 P1 110.16(9) . . ?
C5 C3 H3 106.6 . . ?
C4 C3 H3 106.6 . . ?
P1 C3 H3 106.6 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C8 109.48(13) . . ?
C7 C6 P1 110.36(10) . . ?
C8 C6 P1 111.97(10) . . ?
C7 C6 H6 108.3 . . ?
C8 C6 H6 108.3 . . ?
P1 C6 H6 108.3 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 109.83(12) . . ?
C11 C9 P2 112.03(9) . . ?
C10 C9 P2 110.68(9) . . ?
C11 C9 H9 108.1 . . ?
C10 C9 H9 108.1 . . ?
P2 C9 H9 108.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 111.58(11) . . ?
C14 C12 P2 114.32(9) . . ?
C13 C12 P2 110.38(8) . . ?
C14 C12 H12 106.7 . . ?
C13 C12 H12 106.7 . . ?
P2 C12 H12 106.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Rh1 179.25(15) . . ?
Rh1 C16 H16A 109.5 . . ?
Rh1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Rh1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 P3 112.27(8) . . ?
C18 C17 H17A 109.2 . . ?
P3 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
P3 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 P4 111.97(8) . . ?
C17 C18 H18A 109.2 . . ?
P4 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
P4 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C21 111.14(12) . . ?
C20 C19 P3 115.12(10) . . ?
C21 C19 P3 110.14(9) . . ?
C20 C19 H19 106.6 . . ?
C21 C19 H19 106.6 . . ?
P3 C19 H19 106.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C23 109.66(13) . . ?
C24 C22 P3 109.99(10) . . ?
C23 C22 P3 112.06(10) . . ?
C24 C22 H22 108.3 . . ?
C23 C22 H22 108.3 . . ?
P3 C22 H22 108.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C26 110.12(12) . . ?
C27 C25 P4 111.93(9) . . ?
C26 C25 P4 110.79(9) . . ?
C27 C25 H25 107.9 . . ?
C26 C25 H25 107.9 . . ?
P4 C25 H25 107.9 . . ?
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 111.37(11) . . ?
C30 C28 P4 110.38(9) . . ?
C29 C28 P4 114.05(9) . . ?
C30 C28 H28 106.9 . . ?
C29 C28 H28 106.9 . . ?
P4 C28 H28 106.9 . . ?
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 . . ?
O2 C31 Rh2 179.04(13) . . ?
Rh2 C32 H32A 109.5 . . ?
Rh2 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Rh2 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C3 P1 C1 103.66(6) . . ?
C3 P1 C6 102.93(7) . . ?
C1 P1 C6 102.62(6) . . ?
C3 P1 Rh1 117.75(5) . . ?
C1 P1 Rh1 110.87(4) . . ?
C6 P1 Rh1 117.14(5) . . ?
C12 P2 C2 103.90(6) . . ?
C12 P2 C9 104.04(6) . . ?
C2 P2 C9 103.25(6) . . ?
C12 P2 Rh1 116.41(4) . . ?
C2 P2 Rh1 109.82(4) . . ?
C9 P2 Rh1 117.79(4) . . ?
C17 P3 C19 103.63(6) . . ?
C17 P3 C22 102.61(6) . . ?
C19 P3 C22 103.16(6) . . ?
C17 P3 Rh2 110.81(4) . . ?
C19 P3 Rh2 117.61(4) . . ?
C22 P3 Rh2 117.18(5) . . ?
C28 P4 C18 104.05(6) . . ?
C28 P4 C25 103.81(6) . . ?
C18 P4 C25 103.30(6) . . ?
C28 P4 Rh2 116.79(4) . . ?
C18 P4 Rh2 109.60(4) . . ?
C25 P4 Rh2 117.67(4) . . ?
C15 Rh1 C16 89.89(6) . . ?
C15 Rh1 P1 94.59(4) . . ?
C16 Rh1 P1 174.19(4) . . ?
C15 Rh1 P2 177.32(4) . . ?
C16 Rh1 P2 90.60(4) . . ?
P1 Rh1 P2 85.093(11) . . ?
C31 Rh2 C32 89.92(6) . . ?
C31 Rh2 P3 94.38(4) . . ?
C32 Rh2 P3 174.88(4) . . ?
C31 Rh2 P4 177.21(4) . . ?
C32 Rh2 P4 90.64(4) . . ?
P3 Rh2 P4 85.197(11) . . ?

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
P1 C1 C2 P2 -35.14(12) . . . . ?
P3 C17 C18 P4 35.45(12) . . . . ?
C5 C3 P1 C1 55.73(12) . . . . ?
C4 C3 P1 C1 -70.87(11) . . . . ?
C5 C3 P1 C6 -50.92(12) . . . . ?
C4 C3 P1 C6 -177.52(10) . . . . ?
C5 C3 P1 Rh1 178.56(9) . . . . ?
C4 C3 P1 Rh1 51.97(11) . . . . ?
C2 C1 P1 C3 154.21(10) . . . . ?
C2 C1 P1 C6 -98.90(10) . . . . ?
C2 C1 P1 Rh1 26.94(11) . . . . ?
C7 C6 P1 C3 -178.65(11) . . . . ?
C8 C6 P1 C3 -56.42(12) . . . . ?
C7 C6 P1 C1 73.91(12) . . . . ?
C8 C6 P1 C1 -163.87(11) . . . . ?
C7 C6 P1 Rh1 -47.76(12) . . . . ?
C8 C6 P1 Rh1 74.46(11) . . . . ?
C14 C12 P2 C2 55.13(11) . . . . ?
C13 C12 P2 C2 -71.63(10) . . . . ?
C14 C12 P2 C9 -52.65(11) . . . . ?
C13 C12 P2 C9 -179.41(9) . . . . ?
C14 C12 P2 Rh1 175.98(8) . . . . ?
C13 C12 P2 Rh1 49.22(10) . . . . ?
C1 C2 P2 C12 153.84(9) . . . . ?
C1 C2 P2 C9 -97.80(10) . . . . ?
C1 C2 P2 Rh1 28.65(10) . . . . ?
C11 C9 P2 C12 -59.91(11) . . . . ?
C10 C9 P2 C12 177.14(10) . . . . ?
C11 C9 P2 C2 -168.17(10) . . . . ?
C10 C9 P2 C2 68.89(11) . . . . ?
C11 C9 P2 Rh1 70.64(10) . . . . ?
C10 C9 P2 Rh1 -52.31(11) . . . . ?
C18 C17 P3 C19 -154.24(10) . . . . ?
C18 C17 P3 C22 98.64(10) . . . . ?
C18 C17 P3 Rh2 -27.22(10) . . . . ?
C20 C19 P3 C17 -55.71(12) . . . . ?
C21 C19 P3 C17 70.89(11) . . . . ?
C20 C19 P3 C22 51.00(12) . . . . ?
C21 C19 P3 C22 177.59(10) . . . . ?
C20 C19 P3 Rh2 -178.34(9) . . . . ?
C21 C19 P3 Rh2 -51.74(11) . . . . ?
C24 C22 P3 C17 -74.51(12) . . . . ?
C23 C22 P3 C17 163.23(11) . . . . ?
C24 C22 P3 C19 178.01(11) . . . . ?
C23 C22 P3 C19 55.76(12) . . . . ?
C24 C22 P3 Rh2 47.09(12) . . . . ?
C23 C22 P3 Rh2 -75.16(11) . . . . ?
C30 C28 P4 C18 74.34(11) . . . . ?
C29 C28 P4 C18 -51.92(11) . . . . ?
C30 C28 P4 C25 -177.86(10) . . . . ?
C29 C28 P4 C25 55.88(11) . . . . ?
C30 C28 P4 Rh2 -46.57(11) . . . . ?
C29 C28 P4 Rh2 -172.83(8) . . . . ?
C17 C18 P4 C28 -154.38(9) . . . . ?
C17 C18 P4 C25 97.45(10) . . . . ?
C17 C18 P4 Rh2 -28.76(10) . . . . ?
C27 C25 P4 C28 57.93(10) . . . . ?
C26 C25 P4 C28 -178.73(10) . . . . ?
C27 C25 P4 C18 166.29(9) . . . . ?
C26 C25 P4 C18 -70.37(11) . . . . ?
C27 C25 P4 Rh2 -72.84(10) . . . . ?
C26 C25 P4 Rh2 50.50(11) . . . . ?
O1 C15 Rh1 C16 26(12) . . . . ?
O1 C15 Rh1 P1 -157(12) . . . . ?
O1 C15 Rh1 P2 -74(12) . . . . ?
C3 P1 Rh1 C15 50.96(7) . . . . ?
C1 P1 Rh1 C15 170.05(6) . . . . ?
C6 P1 Rh1 C15 -72.68(6) . . . . ?
C3 P1 Rh1 C16 -168.7(4) . . . . ?
C1 P1 Rh1 C16 -49.6(4) . . . . ?
C6 P1 Rh1 C16 67.6(4) . . . . ?
C3 P1 Rh1 P2 -126.37(5) . . . . ?
C1 P1 Rh1 P2 -7.28(5) . . . . ?
C6 P1 Rh1 P2 109.99(5) . . . . ?
C12 P2 Rh1 C15 149.4(10) . . . . ?
C2 P2 Rh1 C15 -93.0(10) . . . . ?
C9 P2 Rh1 C15 24.7(10) . . . . ?
C12 P2 Rh1 C16 48.78(6) . . . . ?
C2 P2 Rh1 C16 166.43(6) . . . . ?
C9 P2 Rh1 C16 -75.83(7) . . . . ?
C12 P2 Rh1 P1 -127.31(5) . . . . ?
C2 P2 Rh1 P1 -9.66(5) . . . . ?
C9 P2 Rh1 P1 108.08(5) . . . . ?
O2 C31 Rh2 C32 -105(9) . . . . ?
O2 C31 Rh2 P3 78(9) . . . . ?
O2 C31 Rh2 P4 -3(10) . . . . ?
C17 P3 Rh2 C31 -169.77(6) . . . . ?
C19 P3 Rh2 C31 -50.88(7) . . . . ?
C22 P3 Rh2 C31 72.99(6) . . . . ?
C17 P3 Rh2 C32 43.1(5) . . . . ?
C19 P3 Rh2 C32 162.0(5) . . . . ?
C22 P3 Rh2 C32 -74.1(5) . . . . ?
C17 P3 Rh2 P4 7.46(5) . . . . ?
C19 P3 Rh2 P4 126.35(5) . . . . ?
C22 P3 Rh2 P4 -109.77(5) . . . . ?
C28 P4 Rh2 C31 -151.1(9) . . . . ?
C18 P4 Rh2 C31 91.0(9) . . . . ?
C25 P4 Rh2 C31 -26.6(9) . . . . ?
C28 P4 Rh2 C32 -49.48(6) . . . . ?
C18 P4 Rh2 C32 -167.42(6) . . . . ?
C25 P4 Rh2 C32 75.04(6) . . . . ?
C28 P4 Rh2 P3 127.54(5) . . . . ?
C18 P4 Rh2 P3 9.60(5) . . . . ?
C25 P4 Rh2 P3 -107.94(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.271
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.142
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex6_RH_lz64
_database_code_depnum_ccdc_archive 'CCDC 1050056'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H68 I2 P4 Rh2, C7 H8'
_chemical_formula_sum            'C37 H76 I2 P4 Rh2'
_chemical_formula_weight         1104.48

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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z

_cell_length_a                   10.103(4)
_cell_length_b                   36.290(10)
_cell_length_c                   12.187(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.97(3)
_cell_angle_gamma                90.00
_cell_volume                     4444(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    43167
_cell_measurement_theta_min      2.03
_cell_measurement_theta_max      27.76

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.080
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2216
_exptl_absorpt_coefficient_mu    2.300
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.4283
_exptl_absorpt_correction_T_max  0.7283
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 6 -1 0.0200
1 -6 1 0.0650
-3 -7 -1 0.0950
1 2 -1 0.1070
0 -2 -1 0.0560
0 5 3 0.0200
_exptl_absorpt_process_details   'STOE X-RED'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10417
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.02
_diffrn_reflns_theta_max         27.75
_reflns_number_total             10417
_reflns_number_gt                7225
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0821P)²+0.0000P] where P=(Fo²+2Fc²)/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         10417
_refine_ls_number_parameters     417
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.1125
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   0.796
_refine_ls_restrained_S_all      0.801
_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 0.8809(7) 0.1918(2) 0.4607(6) 0.0425(16) Uani 1 1 d . . .
H1A H 0.8307 0.1896 0.5251 0.064 Uiso 1 1 calc R . .
H1B H 0.9065 0.2175 0.4513 0.064 Uiso 1 1 calc R . .
H1C H 0.9610 0.1764 0.4718 0.064 Uiso 1 1 calc R . .
C2 C 0.7940(6) 0.17880(19) 0.3576(6) 0.0317(13) Uani 1 1 d . . .
H2 H 0.8518 0.1786 0.2958 0.038 Uiso 1 1 calc R . .
C3 C 0.7472(7) 0.1389(2) 0.3723(6) 0.0415(16) Uani 1 1 d . . .
H3A H 0.8248 0.1228 0.3862 0.062 Uiso 1 1 calc R . .
H3B H 0.6932 0.1309 0.3051 0.062 Uiso 1 1 calc R . .
H3C H 0.6938 0.1377 0.4349 0.062 Uiso 1 1 calc R . .
C4 C 0.6243(6) 0.28384(18) 0.2603(6) 0.0358(14) Uani 1 1 d . . .
H4A H 0.6657 0.3082 0.2579 0.054 Uiso 1 1 calc R . .
H4B H 0.5545 0.2845 0.3104 0.054 Uiso 1 1 calc R . .
H4C H 0.5851 0.2770 0.1861 0.054 Uiso 1 1 calc R . .
C5 C 0.7296(6) 0.25543(18) 0.3015(5) 0.0312(13) Uani 1 1 d . . .
H5 H 0.7655 0.2631 0.3776 0.037 Uiso 1 1 calc R . .
C6 C 0.8452(6) 0.25583(19) 0.2317(6) 0.0362(15) Uani 1 1 d . . .
H6A H 0.8134 0.2493 0.1555 0.054 Uiso 1 1 calc R . .
H6B H 0.9123 0.2379 0.2611 0.054 Uiso 1 1 calc R . .
H6C H 0.8848 0.2805 0.2335 0.054 Uiso 1 1 calc R . .
C7 C 0.5798(6) 0.2149(2) 0.4452(5) 0.0347(14) Uani 1 1 d . . .
H7A H 0.5896 0.1911 0.4851 0.042 Uiso 1 1 calc R . .
H7B H 0.6352 0.2332 0.4894 0.042 Uiso 1 1 calc R . .
C8 C 0.4374(7) 0.2267(2) 0.4432(7) 0.0449(17) Uani 1 1 d . . .
H8A H 0.4254 0.2501 0.4013 0.054 Uiso 1 1 calc R . .
H8B H 0.4182 0.2318 0.5198 0.054 Uiso 1 1 calc R . .
C9 C 0.3368(6) 0.19883(19) 0.3925(6) 0.0328(13) Uani 1 1 d . . .
H9A H 0.2469 0.2069 0.4076 0.039 Uiso 1 1 calc R . .
H9B H 0.3547 0.1749 0.4301 0.039 Uiso 1 1 calc R . .
C10 C 0.2443(7) 0.2653(2) 0.2165(7) 0.0452(17) Uani 1 1 d . . .
H10A H 0.3172 0.2715 0.1727 0.068 Uiso 1 1 calc R . .
H10B H 0.2741 0.2683 0.2951 0.068 Uiso 1 1 calc R . .
H10C H 0.1685 0.2816 0.1960 0.068 Uiso 1 1 calc R . .
C11 C 0.2025(6) 0.22561(18) 0.1942(6) 0.0337(14) Uani 1 1 d . . .
H11 H 0.1258 0.2208 0.2378 0.040 Uiso 1 1 calc R . .
C12 C 0.1503(6) 0.22096(18) 0.0734(6) 0.0356(14) Uani 1 1 d . . .
H12A H 0.0722 0.2367 0.0561 0.053 Uiso 1 1 calc R . .
H12B H 0.1254 0.1952 0.0592 0.053 Uiso 1 1 calc R . .
H12C H 0.2198 0.2280 0.0270 0.053 Uiso 1 1 calc R . .
C13 C 0.1133(7) 0.1445(2) 0.2773(7) 0.0476(19) Uani 1 1 d . . .
H13A H 0.0754 0.1198 0.2674 0.071 Uiso 1 1 calc R . .
H13B H 0.0509 0.1626 0.2416 0.071 Uiso 1 1 calc R . .
H13C H 0.1296 0.1501 0.3563 0.071 Uiso 1 1 calc R . .
C14 C 0.2454(6) 0.14636(18) 0.2251(6) 0.0307(13) Uani 1 1 d . . .
H14 H 0.2240 0.1423 0.1440 0.037 Uiso 1 1 calc R . .
C15 C 0.3384(7) 0.11540(19) 0.2683(6) 0.0396(15) Uani 1 1 d . . .
H15A H 0.3555 0.1173 0.3487 0.059 Uiso 1 1 calc R . .
H15B H 0.4226 0.1175 0.2354 0.059 Uiso 1 1 calc R . .
H15C H 0.2970 0.0916 0.2485 0.059 Uiso 1 1 calc R . .
C16 C 0.8080(7) 0.0699(2) 0.1359(7) 0.0441(17) Uani 1 1 d . . .
H16A H 0.7826 0.0448 0.1125 0.066 Uiso 1 1 calc R . .
H16B H 0.7280 0.0852 0.1351 0.066 Uiso 1 1 calc R . .
H16C H 0.8539 0.0693 0.2108 0.066 Uiso 1 1 calc R . .
C17 C 0.9006(6) 0.08610(18) 0.0572(5) 0.0315(13) Uani 1 1 d . . .
H17 H 0.9255 0.1113 0.0855 0.038 Uiso 1 1 calc R . .
C18 C 1.0310(7) 0.0641(2) 0.0594(6) 0.0426(17) Uani 1 1 d . . .
H18A H 1.0757 0.0637 0.1347 0.064 Uiso 1 1 calc R . .
H18B H 1.0893 0.0758 0.0101 0.064 Uiso 1 1 calc R . .
H18C H 1.0112 0.0388 0.0348 0.064 Uiso 1 1 calc R . .
C19 C 1.0060(6) 0.1470(2) -0.1104(6) 0.0391(15) Uani 1 1 d . . .
H19A H 1.0765 0.1552 -0.1542 0.059 Uiso 1 1 calc R . .
H19B H 1.0446 0.1412 -0.0352 0.059 Uiso 1 1 calc R . .
H19C H 0.9398 0.1666 -0.1079 0.059 Uiso 1 1 calc R . .
C20 C 0.9393(6) 0.11269(18) -0.1628(6) 0.0313(13) Uani 1 1 d . . .
H20 H 1.0101 0.0936 -0.1667 0.038 Uiso 1 1 calc R . .
C21 C 0.8838(7) 0.1217(2) -0.2812(6) 0.0389(15) Uani 1 1 d . . .
H21A H 0.8150 0.1407 -0.2806 0.058 Uiso 1 1 calc R . .
H21B H 0.8450 0.0994 -0.3169 0.058 Uiso 1 1 calc R . .
H21C H 0.9557 0.1307 -0.3222 0.058 Uiso 1 1 calc R . .
C22 C 0.8079(6) 0.04473(18) -0.1328(6) 0.0339(14) Uani 1 1 d . . .
H22A H 0.8989 0.0385 -0.1502 0.041 Uiso 1 1 calc R . .
H22B H 0.7870 0.0283 -0.0722 0.041 Uiso 1 1 calc R . .
C23 C 0.7111(6) 0.03609(19) -0.2342(6) 0.0358(15) Uani 1 1 d . . .
H23A H 0.7311 0.0113 -0.2618 0.043 Uiso 1 1 calc R . .
H23B H 0.7246 0.0541 -0.2930 0.043 Uiso 1 1 calc R . .
C24 C 0.5655(6) 0.03734(18) -0.2101(6) 0.0341(14) Uani 1 1 d . . .
H24A H 0.5548 0.0198 -0.1494 0.041 Uiso 1 1 calc R . .
H24B H 0.5102 0.0281 -0.2762 0.041 Uiso 1 1 calc R . .
C25 C 0.2670(7) 0.0365(2) -0.1674(8) 0.049(2) Uani 1 1 d . . .
H25A H 0.3198 0.0141 -0.1738 0.074 Uiso 1 1 calc R . .
H25B H 0.2374 0.0459 -0.2412 0.074 Uiso 1 1 calc R . .
H25C H 0.1893 0.0307 -0.1286 0.074 Uiso 1 1 calc R . .
C26 C 0.3518(6) 0.06554(18) -0.1028(6) 0.0352(15) Uani 1 1 d . . .
H26 H 0.2929 0.0873 -0.0948 0.042 Uiso 1 1 calc R . .
C27 C 0.3994(7) 0.0527(2) 0.0129(7) 0.0431(17) Uani 1 1 d . . .
H27A H 0.3224 0.0460 0.0515 0.065 Uiso 1 1 calc R . .
H27B H 0.4491 0.0725 0.0530 0.065 Uiso 1 1 calc R . .
H27C H 0.4573 0.0311 0.0090 0.065 Uiso 1 1 calc R . .
C28 C 0.3098(7) 0.1268(2) -0.3048(6) 0.0429(16) Uani 1 1 d . . .
H28A H 0.3495 0.1494 -0.2724 0.064 Uiso 1 1 calc R . .
H28B H 0.2425 0.1177 -0.2591 0.064 Uiso 1 1 calc R . .
H28C H 0.2679 0.1319 -0.3794 0.064 Uiso 1 1 calc R . .
C29 C 0.4177(6) 0.09773(19) -0.3103(6) 0.0343(14) Uani 1 1 d . . .
H29 H 0.3743 0.0756 -0.3473 0.041 Uiso 1 1 calc R . .
C30 C 0.5223(7) 0.1111(2) -0.3826(6) 0.0412(16) Uani 1 1 d . . .
H30A H 0.4791 0.1179 -0.4555 0.062 Uiso 1 1 calc R . .
H30B H 0.5871 0.0915 -0.3904 0.062 Uiso 1 1 calc R . .
H30C H 0.5681 0.1327 -0.3483 0.062 Uiso 1 1 calc R . .
P1 P 0.64944(14) 0.20922(4) 0.31381(13) 0.0257(3) Uani 1 1 d . . .
P2 P 0.33552(14) 0.19157(4) 0.24314(14) 0.0263(3) Uani 1 1 d . . .
P3 P 0.80927(14) 0.09251(4) -0.08176(14) 0.0271(3) Uani 1 1 d . . .
P4 P 0.49679(14) 0.08244(4) -0.17229(14) 0.0267(3) Uani 1 1 d . . .
Rh1 Rh 0.52503(4) 0.188822(12) 0.16560(4) 0.02307(10) Uani 1 1 d . . .
Rh2 Rh 0.62049(4) 0.122967(12) -0.07196(4) 0.02345(10) Uani 1 1 d . . .
I1 I 0.74192(3) 0.176238(10) 0.05807(3) 0.02486(9) Uani 1 1 d . . .
I2 I 0.40402(3) 0.162083(10) -0.02694(3) 0.02517(9) Uani 1 1 d . . .
C100 C 0.6002(19) 0.0485(6) -0.6274(17) 0.062(5) Uiso 0.50 1 d P A -1
H10D H 0.6976 0.0477 -0.6173 0.092 Uiso 0.50 1 calc PR A -1
H10E H 0.5695 0.0731 -0.6092 0.092 Uiso 0.50 1 calc PR A -1
H10F H 0.5690 0.0427 -0.7044 0.092 Uiso 0.50 1 calc PR A -1
C101 C 0.5440(10) 0.0198(3) -0.5508(11) 0.041(3) Uiso 0.50 1 d PD A -1
C102 C 0.6269(8) -0.0075(3) -0.5043(12) 0.042(3) Uiso 0.50 1 d PD A -1
H102 H 0.7178 -0.0081 -0.5179 0.051 Uiso 0.50 1 calc PR A -1
C103 C 0.5780(12) -0.0338(3) -0.4381(13) 0.053(4) Uiso 0.50 1 d PD A -1
H103 H 0.6358 -0.0521 -0.4041 0.064 Uiso 0.50 1 calc PR A -1
C104 C 0.4453(13) -0.0338(4) -0.4210(14) 0.061(5) Uiso 0.50 1 d PD A -1
H104 H 0.4111 -0.0525 -0.3773 0.073 Uiso 0.50 1 calc PR A -1
C105 C 0.3623(9) -0.0065(4) -0.4673(14) 0.054(4) Uiso 0.50 1 d PD A -1
H105 H 0.2713 -0.0061 -0.4540 0.065 Uiso 0.50 1 calc PR A -1
C106 C 0.4114(9) 0.0201(3) -0.5330(10) 0.034(3) Uiso 0.50 1 d PD A -1
H106 H 0.3539 0.0386 -0.5659 0.041 Uiso 0.50 1 calc PR A -1
C200 C 1.049(3) 0.0627(8) -0.521(2) 0.085(7) Uiso 0.50 1 d P B -2
H20A H 1.1332 0.0680 -0.4758 0.128 Uiso 0.50 1 calc PR B -2
H20B H 0.9779 0.0776 -0.4943 0.128 Uiso 0.50 1 calc PR B -2
H20C H 1.0578 0.0687 -0.5979 0.128 Uiso 0.50 1 calc PR B -2
C201 C 1.0175(16) 0.0244(2) -0.5113(11) 0.050(4) Uiso 0.50 1 d PD B -2
C202 C 0.9985(18) 0.0125(4) -0.4067(9) 0.049(4) Uiso 0.50 1 d PD B -2
H202 H 1.0069 0.0294 -0.3466 0.058 Uiso 0.50 1 calc PR B -2
C203 C 0.967(2) -0.0239(4) -0.3894(11) 0.071(5) Uiso 0.50 1 d PD B -2
H203 H 0.9405 -0.0315 -0.3204 0.085 Uiso 0.50 1 calc PR B -2
C204 C 0.975(3) -0.0492(3) -0.4730(16) 0.091(9) Uiso 0.50 1 d PD B -2
H204 H 0.9715 -0.0749 -0.4579 0.110 Uiso 0.50 1 calc PR B -2
C205 C 0.988(2) -0.0371(3) -0.5787(13) 0.072(5) Uiso 0.50 1 d PD B -2
H205 H 0.9814 -0.0541 -0.6382 0.086 Uiso 0.50 1 calc PR B -2
C206 C 1.0094(16) -0.0002(4) -0.5977(9) 0.038(3) Uiso 0.50 1 d PD B -2
H206 H 1.0188 0.0082 -0.6703 0.045 Uiso 0.50 1 calc PR B -2


_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 1.530(10) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.538(10) . ?
C2 P1 1.864(6) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.528(9) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.515(8) . ?
C5 P1 1.875(7) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.500(9) . ?
C7 P1 1.827(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.519(10) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 P2 1.838(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.517(10) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.521(10) . ?
C11 P2 1.876(6) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.538(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.523(9) . ?
C14 P2 1.878(6) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.526(10) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.539(8) . ?
C17 P3 1.857(7) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.524(9) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.528(10) . ?
C20 P3 1.873(6) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.526(9) . ?
C22 P3 1.842(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.530(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 P4 1.855(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.525(10) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.516(11) . ?
C26 P4 1.870(6) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.524(9) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.525(9) . ?
C29 P4 1.869(7) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
P1 Rh1 2.2177(18) . ?
P2 Rh1 2.2237(17) . ?
P3 Rh2 2.2182(16) . ?
P4 Rh2 2.2141(17) . ?
Rh1 I1 2.7063(11) . ?
Rh1 I2 2.7103(12) . ?
Rh2 I2 2.7107(9) . ?
Rh2 I1 2.7110(9) . ?
C100 C101 1.55(2) . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C101 C102 1.379(4) . ?
C101 C106 1.379(4) . ?
C102 C103 1.376(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.377(4) . ?
C103 H103 0.9500 . ?
C104 C105 1.379(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.378(4) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C200 C201 1.43(3) . ?
C200 H20A 0.9800 . ?
C200 H20B 0.9800 . ?
C200 H20C 0.9800 . ?
C201 C206 1.377(4) . ?
C201 C202 1.378(4) . ?
C202 C203 1.381(4) . ?
C202 H202 0.9500 . ?
C203 C204 1.380(4) . ?
C203 H203 0.9500 . ?
C204 C205 1.380(4) . ?
C204 H204 0.9500 . ?
C205 C206 1.379(4) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?

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 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 C3 110.5(6) . . ?
C1 C2 P1 114.7(5) . . ?
C3 C2 P1 110.4(4) . . ?
C1 C2 H2 106.9 . . ?
C3 C2 H2 106.9 . . ?
P1 C2 H2 106.9 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C4 111.1(6) . . ?
C6 C5 P1 114.7(5) . . ?
C4 C5 P1 109.8(4) . . ?
C6 C5 H5 106.9 . . ?
C4 C5 H5 106.9 . . ?
P1 C5 H5 106.9 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P1 118.3(5) . . ?
C8 C7 H7A 107.7 . . ?
P1 C7 H7A 107.7 . . ?
C8 C7 H7B 107.7 . . ?
P1 C7 H7B 107.7 . . ?
H7A C7 H7B 107.1 . . ?
C7 C8 C9 114.5(6) . . ?
C7 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
C7 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 P2 115.8(5) . . ?
C8 C9 H9A 108.3 . . ?
P2 C9 H9A 108.3 . . ?
C8 C9 H9B 108.3 . . ?
P2 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C10 C11 C12 109.9(6) . . ?
C10 C11 P2 113.0(5) . . ?
C12 C11 P2 113.5(4) . . ?
C10 C11 H11 106.6 . . ?
C12 C11 H11 106.6 . . ?
P2 C11 H11 106.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C13 110.9(6) . . ?
C15 C14 P2 109.2(4) . . ?
C13 C14 P2 114.8(5) . . ?
C15 C14 H14 107.2 . . ?
C13 C14 H14 107.2 . . ?
P2 C14 H14 107.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C16 C17 C18 111.7(6) . . ?
C16 C17 P3 110.1(5) . . ?
C18 C17 P3 115.1(5) . . ?
C16 C17 H17 106.5 . . ?
C18 C17 H17 106.5 . . ?
P3 C17 H17 106.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C19 C20 C21 108.9(6) . . ?
C19 C20 P3 113.7(5) . . ?
C21 C20 P3 111.9(4) . . ?
C19 C20 H20 107.3 . . ?
C21 C20 H20 107.3 . . ?
P3 C20 H20 107.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P3 116.7(5) . . ?
C23 C22 H22A 108.1 . . ?
P3 C22 H22A 108.1 . . ?
C23 C22 H22B 108.1 . . ?
P3 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C22 C23 C24 112.7(6) . . ?
C22 C23 H23A 109.0 . . ?
C24 C23 H23A 109.0 . . ?
C22 C23 H23B 109.0 . . ?
C24 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C23 C24 P4 117.8(5) . . ?
C23 C24 H24A 107.9 . . ?
P4 C24 H24A 107.9 . . ?
C23 C24 H24B 107.9 . . ?
P4 C24 H24B 107.9 . . ?
H24A C24 H24B 107.2 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C25 111.9(6) . . ?
C27 C26 P4 109.6(4) . . ?
C25 C26 P4 114.7(5) . . ?
C27 C26 H26 106.7 . . ?
C25 C26 H26 106.7 . . ?
P4 C26 H26 106.7 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C28 C29 C30 110.3(6) . . ?
C28 C29 P4 114.0(5) . . ?
C30 C29 P4 110.9(4) . . ?
C28 C29 H29 107.1 . . ?
C30 C29 H29 107.1 . . ?
P4 C29 H29 107.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C7 P1 C2 100.2(3) . . ?
C7 P1 C5 100.3(3) . . ?
C2 P1 C5 102.8(3) . . ?
C7 P1 Rh1 121.0(2) . . ?
C2 P1 Rh1 113.3(2) . . ?
C5 P1 Rh1 116.5(2) . . ?
C9 P2 C11 98.7(3) . . ?
C9 P2 C14 101.2(3) . . ?
C11 P2 C14 102.4(3) . . ?
C9 P2 Rh1 120.6(2) . . ?
C11 P2 Rh1 120.9(2) . . ?
C14 P2 Rh1 109.8(2) . . ?
C22 P3 C17 100.1(3) . . ?
C22 P3 C20 99.8(3) . . ?
C17 P3 C20 102.8(3) . . ?
C22 P3 Rh2 120.7(2) . . ?
C17 P3 Rh2 111.2(2) . . ?
C20 P3 Rh2 119.2(2) . . ?
C24 P4 C29 100.0(3) . . ?
C24 P4 C26 98.9(3) . . ?
C29 P4 C26 102.9(3) . . ?
C24 P4 Rh2 121.3(2) . . ?
C29 P4 Rh2 117.6(2) . . ?
C26 P4 Rh2 113.0(2) . . ?
P1 Rh1 P2 94.53(7) . . ?
P1 Rh1 I1 91.83(5) . . ?
P2 Rh1 I1 171.71(5) . . ?
P1 Rh1 I2 172.34(4) . . ?
P2 Rh1 I2 93.05(5) . . ?
I1 Rh1 I2 80.53(3) . . ?
P4 Rh2 P3 94.50(6) . . ?
P4 Rh2 I2 92.22(5) . . ?
P3 Rh2 I2 171.13(5) . . ?
P4 Rh2 I1 172.59(4) . . ?
P3 Rh2 I1 92.72(5) . . ?
I2 Rh2 I1 80.43(3) . . ?
Rh1 I1 Rh2 93.64(3) . . ?
Rh1 I2 Rh2 93.55(3) . . ?
C102 C101 C106 120.0(3) . . ?
C102 C101 C100 119.1(10) . . ?
C106 C101 C100 120.9(10) . . ?
C103 C102 C101 120.0(3) . . ?
C103 C102 H102 120.0 . . ?
C101 C102 H102 120.0 . . ?
C102 C103 C104 120.1(3) . . ?
C102 C103 H103 119.9 . . ?
C104 C103 H103 119.9 . . ?
C103 C104 C105 120.0(3) . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 C104 119.9(3) . . ?
C106 C105 H105 120.0 . . ?
C104 C105 H105 120.0 . . ?
C105 C106 C101 120.0(3) . . ?
C105 C106 H106 120.0 . . ?
C101 C106 H106 120.0 . . ?
C201 C200 H20A 109.5 . . ?
C201 C200 H20B 109.5 . . ?
H20A C200 H20B 109.5 . . ?
C201 C200 H20C 109.5 . . ?
H20A C200 H20C 109.5 . . ?
H20B C200 H20C 109.5 . . ?
C206 C201 C202 120.1(3) . . ?
C206 C201 C200 124.4(16) . . ?
C202 C201 C200 115.5(16) . . ?
C201 C202 C203 119.8(3) . . ?
C201 C202 H202 120.1 . . ?
C203 C202 H202 120.1 . . ?
C204 C203 C202 119.6(4) . . ?
C204 C203 H203 120.2 . . ?
C202 C203 H203 120.2 . . ?
C205 C204 C203 119.6(4) . . ?
C205 C204 H204 120.2 . . ?
C203 C204 H204 120.2 . . ?
C206 C205 C204 119.9(3) . . ?
C206 C205 H205 120.0 . . ?
C204 C205 H205 120.0 . . ?
C201 C206 C205 119.9(3) . . ?
C201 C206 H206 120.0 . . ?
C205 C206 H206 120.0 . . ?

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
P1 C7 C8 C9 65.9(8) . . . . ?
C7 C8 C9 P2 -68.7(8) . . . . ?
P3 C22 C23 C24 -69.2(7) . . . . ?
C22 C23 C24 P4 65.5(8) . . . . ?
C8 C7 P1 C2 -159.6(6) . . . . ?
C8 C7 P1 C5 95.3(6) . . . . ?
C8 C7 P1 Rh1 -34.4(7) . . . . ?
C1 C2 P1 C7 -48.8(6) . . . . ?
C3 C2 P1 C7 76.9(5) . . . . ?
C1 C2 P1 C5 54.3(6) . . . . ?
C3 C2 P1 C5 180.0(5) . . . . ?
C1 C2 P1 Rh1 -179.1(4) . . . . ?
C3 C2 P1 Rh1 -53.4(5) . . . . ?
C6 C5 P1 C7 154.4(5) . . . . ?
C4 C5 P1 C7 -79.6(5) . . . . ?
C6 C5 P1 C2 51.4(6) . . . . ?
C4 C5 P1 C2 177.3(5) . . . . ?
C6 C5 P1 Rh1 -73.2(5) . . . . ?
C4 C5 P1 Rh1 52.8(5) . . . . ?
C8 C9 P2 C11 -93.3(6) . . . . ?
C8 C9 P2 C14 162.1(5) . . . . ?
C8 C9 P2 Rh1 40.8(6) . . . . ?
C10 C11 P2 C9 67.6(6) . . . . ?
C12 C11 P2 C9 -166.3(5) . . . . ?
C10 C11 P2 C14 171.3(5) . . . . ?
C12 C11 P2 C14 -62.6(5) . . . . ?
C10 C11 P2 Rh1 -66.2(6) . . . . ?
C12 C11 P2 Rh1 59.9(5) . . . . ?
C15 C14 P2 C9 -74.9(5) . . . . ?
C13 C14 P2 C9 50.3(6) . . . . ?
C15 C14 P2 C11 -176.6(5) . . . . ?
C13 C14 P2 C11 -51.3(6) . . . . ?
C15 C14 P2 Rh1 53.7(5) . . . . ?
C13 C14 P2 Rh1 178.9(5) . . . . ?
C23 C22 P3 C17 164.9(5) . . . . ?
C23 C22 P3 C20 -90.1(5) . . . . ?
C23 C22 P3 Rh2 42.6(6) . . . . ?
C16 C17 P3 C22 -77.9(5) . . . . ?
C18 C17 P3 C22 49.4(6) . . . . ?
C16 C17 P3 C20 179.5(5) . . . . ?
C18 C17 P3 C20 -53.3(6) . . . . ?
C16 C17 P3 Rh2 50.9(5) . . . . ?
C18 C17 P3 Rh2 178.1(5) . . . . ?
C19 C20 P3 C22 -156.8(5) . . . . ?
C21 C20 P3 C22 79.2(5) . . . . ?
C19 C20 P3 C17 -54.0(5) . . . . ?
C21 C20 P3 C17 -177.9(5) . . . . ?
C19 C20 P3 Rh2 69.5(5) . . . . ?
C21 C20 P3 Rh2 -54.5(5) . . . . ?
C23 C24 P4 C29 95.6(6) . . . . ?
C23 C24 P4 C26 -159.5(6) . . . . ?
C23 C24 P4 Rh2 -35.6(7) . . . . ?
C28 C29 P4 C24 158.9(5) . . . . ?
C30 C29 P4 C24 -75.9(5) . . . . ?
C28 C29 P4 C26 57.3(6) . . . . ?
C30 C29 P4 C26 -177.5(5) . . . . ?
C28 C29 P4 Rh2 -67.7(5) . . . . ?
C30 C29 P4 Rh2 57.5(5) . . . . ?
C27 C26 P4 C24 78.6(5) . . . . ?
C25 C26 P4 C24 -48.2(6) . . . . ?
C27 C26 P4 C29 -178.8(5) . . . . ?
C25 C26 P4 C29 54.3(6) . . . . ?
C27 C26 P4 Rh2 -50.9(5) . . . . ?
C25 C26 P4 Rh2 -177.8(5) . . . . ?
C7 P1 Rh1 P2 8.5(3) . . . . ?
C2 P1 Rh1 P2 127.5(2) . . . . ?
C5 P1 Rh1 P2 -113.6(2) . . . . ?
C7 P1 Rh1 I1 -166.1(3) . . . . ?
C2 P1 Rh1 I1 -47.2(2) . . . . ?
C5 P1 Rh1 I1 71.7(2) . . . . ?
C9 P2 Rh1 P1 -11.7(3) . . . . ?
C11 P2 Rh1 P1 112.3(3) . . . . ?
C14 P2 Rh1 P1 -128.8(2) . . . . ?
C9 P2 Rh1 I2 167.2(3) . . . . ?
C11 P2 Rh1 I2 -68.7(3) . . . . ?
C14 P2 Rh1 I2 50.2(2) . . . . ?
C24 P4 Rh2 P3 9.7(3) . . . . ?
C29 P4 Rh2 P3 -113.5(2) . . . . ?
C26 P4 Rh2 P3 126.7(2) . . . . ?
C24 P4 Rh2 I2 -164.5(3) . . . . ?
C29 P4 Rh2 I2 72.3(2) . . . . ?
C26 P4 Rh2 I2 -47.5(2) . . . . ?
C22 P3 Rh2 P4 -12.7(3) . . . . ?
C17 P3 Rh2 P4 -129.4(2) . . . . ?
C20 P3 Rh2 P4 111.3(3) . . . . ?
C22 P3 Rh2 I1 165.6(3) . . . . ?
C17 P3 Rh2 I1 48.9(2) . . . . ?
C20 P3 Rh2 I1 -70.4(3) . . . . ?
P1 Rh1 I1 Rh2 153.91(5) . . . . ?
I2 Rh1 I1 Rh2 -25.707(18) . . . . ?
P3 Rh2 I1 Rh1 -148.62(5) . . . . ?
I2 Rh2 I1 Rh1 25.71(2) . . . . ?
P2 Rh1 I2 Rh2 -149.03(5) . . . . ?
I1 Rh1 I2 Rh2 25.708(19) . . . . ?
P4 Rh2 I2 Rh1 153.36(5) . . . . ?
I1 Rh2 I2 Rh1 -25.667(19) . . . . ?
C106 C101 C102 C103 -1(2) . . . . ?
C100 C101 C102 C103 -178.4(16) . . . . ?
C101 C102 C103 C104 2(3) . . . . ?
C102 C103 C104 C105 -2(3) . . . . ?
C103 C104 C105 C106 2(3) . . . . ?
C104 C105 C106 C101 -1(3) . . . . ?
C102 C101 C106 C105 1(2) . . . . ?
C100 C101 C106 C105 177.8(16) . . . . ?
C206 C201 C202 C203 -2(3) . . . . ?
C200 C201 C202 C203 180(2) . . . . ?
C201 C202 C203 C204 10(3) . . . . ?
C202 C203 C204 C205 -13(4) . . . . ?
C203 C204 C205 C206 8(4) . . . . ?
C202 C201 C206 C205 -3(3) . . . . ?
C200 C201 C206 C205 175(2) . . . . ?
C204 C205 C206 C201 0(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.75
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.881
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.167
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7_RH_lz80
_database_code_depnum_ccdc_archive 'CCDC 1050057'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H34 I O P2 Rh'
_chemical_formula_sum            'C16 H34 I O P2 Rh'
_chemical_formula_weight         534.18

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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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                   10.0188(3)
_cell_length_b                   14.3858(3)
_cell_length_c                   15.0927(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.286(3)
_cell_angle_gamma                90.00
_cell_volume                     2088.01(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    22902
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      29.55

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.090
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_process_details   'STOE X-RED'
_exptl_absorpt_coefficient_mu    2.448
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7459
_exptl_absorpt_correction_T_max  0.8611
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
6 5 -2 0.0510
3 -4 -1 0.0660
-4 -3 1 0.0390
-4 8 1 0.0480
4 -3 0 0.0570
2 -2 7 0.0430
1 -1 -7 0.0680
-4 3 0 0.0350

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_measurement_method       'rotation method'
_diffrn_measurement_details      
; 207 frames, detector distance = 100 mm
;

_diffrn_reflns_number            21448
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         28.75
_diffrn_reflns_theta_full        28.75
_diffrn_reflns_av_unetI/netI     0.0741
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20

_reflns_number_total             5369
_reflns_number_gt                3112
_reflns_threshold_expression     I>4u(I)
_reflns_d_resolution_high        0.739
_reflns_d_resolution_low         10.208
_reflns_special_details          'Friedel pairs have been merged'
_reflns_limit_h_min              -13
_reflns_limit_h_max              12
_reflns_limit_k_min              0
_reflns_limit_k_max              19
_reflns_limit_l_min              0
_reflns_limit_l_max              20

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/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         5369
_refine_ls_number_parameters     213
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0473
_refine_ls_wR_factor_ref         0.1139
_refine_ls_wR_factor_gt          0.0982
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.003
_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
C1 C 0.5584(6) 0.2732(4) 0.4200(4) 0.0302(12) Uani 1 1 d . . .
H1A H 0.5107 0.2539 0.4639 0.045 Uiso 1 1 calc R . .
H1B H 0.5056 0.3208 0.3810 0.045 Uiso 1 1 calc R . .
H1C H 0.6485 0.2970 0.4521 0.045 Uiso 1 1 calc R . .
C2 C 0.5752(6) 0.1894(4) 0.3606(4) 0.0285(11) Uani 1 1 d . . .
H2 H 0.6178 0.2124 0.3138 0.034 Uiso 1 1 calc R . .
C3 C 0.6736(6) 0.1167(4) 0.4178(5) 0.0387(15) Uani 1 1 d . . .
H3A H 0.7640 0.1436 0.4427 0.058 Uiso 1 1 calc R . .
H3B H 0.6803 0.0648 0.3792 0.058 Uiso 1 1 calc R . .
H3C H 0.6383 0.0958 0.4673 0.058 Uiso 1 1 calc R . .
C4 C 0.5216(8) 0.0781(5) 0.1587(6) 0.0499(19) Uani 1 1 d . . .
H4A H 0.5422 0.0245 0.1270 0.075 Uiso 1 1 calc R . .
H4B H 0.6068 0.1064 0.1938 0.075 Uiso 1 1 calc R . .
H4C H 0.4691 0.1219 0.1146 0.075 Uiso 1 1 calc R . .
C5 C 0.4371(6) 0.0486(4) 0.2233(4) 0.0325(13) Uani 1 1 d . . .
H5 H 0.4909 0.0007 0.2643 0.039 Uiso 1 1 calc R . .
C6 C 0.3008(8) 0.0039(5) 0.1688(5) 0.0423(16) Uani 1 1 d . . .
H6A H 0.2383 0.0512 0.1363 0.063 Uiso 1 1 calc R . .
H6B H 0.2595 -0.0280 0.2104 0.063 Uiso 1 1 calc R . .
H6C H 0.3187 -0.0396 0.1253 0.063 Uiso 1 1 calc R . .
C7 C 0.1901(7) 0.3738(4) 0.4253(4) 0.0355(14) Uani 1 1 d . . .
H7A H 0.1733 0.4330 0.4495 0.053 Uiso 1 1 calc R . .
H7B H 0.2549 0.3813 0.3894 0.053 Uiso 1 1 calc R . .
H7C H 0.2281 0.3317 0.4754 0.053 Uiso 1 1 calc R . .
C8 C 0.0544(6) 0.3349(3) 0.3645(3) 0.0229(10) Uani 1 1 d . . .
H8 H 0.0149 0.3824 0.3180 0.028 Uiso 1 1 calc R . .
C9 C -0.0508(7) 0.3197(4) 0.4197(4) 0.0339(13) Uani 1 1 d . . .
H9A H -0.0143 0.2752 0.4679 0.051 Uiso 1 1 calc R . .
H9B H -0.1364 0.2967 0.3794 0.051 Uiso 1 1 calc R . .
H9C H -0.0676 0.3775 0.4464 0.051 Uiso 1 1 calc R . .
C10 C -0.1647(7) 0.2739(4) 0.1654(5) 0.0390(15) Uani 1 1 d . . .
H10A H -0.1184 0.2879 0.1192 0.059 Uiso 1 1 calc R . .
H10B H -0.1664 0.3284 0.2017 0.059 Uiso 1 1 calc R . .
H10C H -0.2582 0.2543 0.1359 0.059 Uiso 1 1 calc R . .
C11 C -0.0873(5) 0.1966(4) 0.2274(4) 0.0240(10) Uani 1 1 d . . .
H11 H -0.1431 0.1792 0.2688 0.029 Uiso 1 1 calc R . .
C12 C -0.0779(7) 0.1112(4) 0.1699(4) 0.0342(13) Uani 1 1 d . . .
H12A H -0.1680 0.0978 0.1289 0.051 Uiso 1 1 calc R . .
H12B H -0.0463 0.0591 0.2100 0.051 Uiso 1 1 calc R . .
H12C H -0.0136 0.1230 0.1346 0.051 Uiso 1 1 calc R . .
C13 C 0.3558(6) 0.0747(4) 0.3883(4) 0.0278(11) Uani 1 1 d . . .
H13A H 0.4033 0.0154 0.3930 0.033 Uiso 1 1 calc R . .
H13B H 0.3926 0.1067 0.4466 0.033 Uiso 1 1 calc R . .
C14 C 0.2009(6) 0.0553(3) 0.3763(4) 0.0263(11) Uani 1 1 d . . .
H14A H 0.1592 0.0318 0.3145 0.032 Uiso 1 1 calc R . .
H14B H 0.1925 0.0074 0.4196 0.032 Uiso 1 1 calc R . .
C15 C 0.1206(6) 0.1418(4) 0.3917(4) 0.0248(10) Uani 1 1 d . . .
H15A H 0.1721 0.1705 0.4493 0.030 Uiso 1 1 calc R . .
H15B H 0.0320 0.1217 0.3990 0.030 Uiso 1 1 calc R . .
P1 P 0.40073(14) 0.14291(9) 0.29850(10) 0.0218(3) Uani 1 1 d . A .
P2 P 0.08693(14) 0.23087(8) 0.30120(9) 0.0192(2) Uani 1 1 d . A .
Rh1 Rh 0.25225(5) 0.26128(3) 0.22661(3) 0.02122(11) Uani 1 1 d . . .
I11 I 0.43015(7) 0.32074(5) 0.14100(6) 0.02157(15) Uani 0.60 1 d PU A 1
C22 C 0.4053(17) 0.3003(11) 0.1676(12) 0.023(3) Uani 0.40 1 d PU A 2
O22 O 0.4718(14) 0.3241(11) 0.1404(11) 0.02157(15) Uani 0.40 1 d PU A 2
I12 I 0.12801(12) 0.41009(7) 0.14354(8) 0.0301(2) Uani 0.40 1 d PU A 1
C21 C 0.1481(13) 0.3604(9) 0.1756(8) 0.040(2) Uani 0.60 1 d PU A 2
O21 O 0.0912(10) 0.4301(7) 0.1453(7) 0.0301(2) Uani 0.60 1 d PU A 2


_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 1.539(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.528(7) . ?
C2 P1 1.861(6) . ?
C2 H2 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.519(9) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.526(9) . ?
C5 P1 1.869(6) . ?
C5 H5 0.9800 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.518(8) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.531(8) . ?
C8 P2 1.853(5) . ?
C8 H8 0.9800 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.520(8) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.522(8) . ?
C11 P2 1.854(6) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.536(8) . ?
C13 P1 1.828(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.534(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 P2 1.833(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
P1 Rh1 2.3204(13) . ?
P2 Rh1 2.2908(13) . ?
Rh1 C21 1.806(13) . ?
Rh1 C22 2.06(2) . ?
Rh1 I11 2.6210(8) . ?
Rh1 I12 2.6131(11) . ?
C22 O22 0.94(2) . ?
C21 O21 1.181(14) . ?

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 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C1 111.5(5) . . ?
C3 C2 P1 113.9(4) . . ?
C1 C2 P1 109.5(4) . . ?
C3 C2 H2 107.2 . . ?
C1 C2 H2 107.2 . . ?
P1 C2 H2 107.2 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C4 C5 C6 110.3(6) . . ?
C4 C5 P1 115.2(4) . . ?
C6 C5 P1 109.6(4) . . ?
C4 C5 H5 107.1 . . ?
C6 C5 H5 107.1 . . ?
P1 C5 H5 107.1 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C7 C8 C9 111.1(5) . . ?
C7 C8 P2 110.6(4) . . ?
C9 C8 P2 114.4(4) . . ?
C7 C8 H8 106.8 . . ?
C9 C8 H8 106.8 . . ?
P2 C8 H8 106.8 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C10 110.0(5) . . ?
C12 C11 P2 111.0(4) . . ?
C10 C11 P2 114.0(4) . . ?
C12 C11 H11 107.2 . . ?
C10 C11 H11 107.2 . . ?
P2 C11 H11 107.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 P1 117.4(4) . . ?
C14 C13 H13A 107.9 . . ?
P1 C13 H13A 107.9 . . ?
C14 C13 H13B 107.9 . . ?
P1 C13 H13B 107.9 . . ?
H13A C13 H13B 107.2 . . ?
C15 C14 C13 113.0(4) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 P2 116.7(4) . . ?
C14 C15 H15A 108.1 . . ?
P2 C15 H15A 108.1 . . ?
C14 C15 H15B 108.1 . . ?
P2 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C13 P1 C2 102.2(3) . . ?
C13 P1 C5 101.0(3) . . ?
C2 P1 C5 104.5(3) . . ?
C13 P1 Rh1 118.77(19) . . ?
C2 P1 Rh1 111.13(17) . . ?
C5 P1 Rh1 117.2(2) . . ?
C15 P2 C8 101.7(2) . . ?
C15 P2 C11 101.9(2) . . ?
C8 P2 C11 104.6(2) . . ?
C15 P2 Rh1 119.47(19) . . ?
C8 P2 Rh1 110.80(17) . . ?
C11 P2 Rh1 116.38(18) . . ?
C21 Rh1 C22 90.7(6) . . ?
C21 Rh1 P2 87.1(4) . . ?
C22 Rh1 P2 174.3(4) . . ?
C21 Rh1 P1 175.1(4) . . ?
C22 Rh1 P1 86.8(4) . . ?
P2 Rh1 P1 95.00(5) . . ?
C21 Rh1 I11 85.6(4) . . ?
C22 Rh1 I11 5.3(4) . . ?
P2 Rh1 I11 171.86(4) . . ?
P1 Rh1 I11 91.98(4) . . ?
C21 Rh1 I12 7.5(4) . . ?
C22 Rh1 I12 83.2(4) . . ?
P2 Rh1 I12 94.56(4) . . ?
P1 Rh1 I12 169.16(5) . . ?
I11 Rh1 I12 78.13(3) . . ?
O22 C22 Rh1 174.4(17) . . ?
O21 C21 Rh1 173.7(11) . . ?

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
P1 C13 C14 C15 -71.9(6) . . . . ?
C13 C14 C15 P2 72.7(6) . . . . ?
C14 C13 P1 C2 157.7(4) . . . . ?
C14 C13 P1 C5 -94.7(5) . . . . ?
C14 C13 P1 Rh1 35.0(5) . . . . ?
C3 C2 P1 C13 46.3(5) . . . . ?
C1 C2 P1 C13 -79.2(4) . . . . ?
C3 C2 P1 C5 -58.7(5) . . . . ?
C1 C2 P1 C5 175.8(4) . . . . ?
C3 C2 P1 Rh1 174.0(4) . . . . ?
C1 C2 P1 Rh1 48.5(4) . . . . ?
C4 C5 P1 C13 -161.2(5) . . . . ?
C6 C5 P1 C13 73.7(5) . . . . ?
C4 C5 P1 C2 -55.4(6) . . . . ?
C6 C5 P1 C2 179.5(4) . . . . ?
C4 C5 P1 Rh1 68.1(6) . . . . ?
C6 C5 P1 Rh1 -57.0(5) . . . . ?
C14 C15 P2 C8 -159.1(4) . . . . ?
C14 C15 P2 C11 93.0(4) . . . . ?
C14 C15 P2 Rh1 -36.9(5) . . . . ?
C7 C8 P2 C15 76.7(4) . . . . ?
C9 C8 P2 C15 -49.6(5) . . . . ?
C7 C8 P2 C11 -177.5(4) . . . . ?
C9 C8 P2 C11 56.2(5) . . . . ?
C7 C8 P2 Rh1 -51.3(4) . . . . ?
C9 C8 P2 Rh1 -177.7(4) . . . . ?
C12 C11 P2 C15 -74.7(4) . . . . ?
C10 C11 P2 C15 160.4(5) . . . . ?
C12 C11 P2 C8 179.7(4) . . . . ?
C10 C11 P2 C8 54.8(5) . . . . ?
C12 C11 P2 Rh1 57.1(4) . . . . ?
C10 C11 P2 Rh1 -67.8(5) . . . . ?
C15 P2 Rh1 C21 -170.5(4) . . . . ?
C8 P2 Rh1 C21 -52.9(4) . . . . ?
C11 P2 Rh1 C21 66.5(4) . . . . ?
C15 P2 Rh1 P1 5.1(2) . . . . ?
C8 P2 Rh1 P1 122.71(18) . . . . ?
C11 P2 Rh1 P1 -117.98(19) . . . . ?
C15 P2 Rh1 I12 -169.8(2) . . . . ?
C8 P2 Rh1 I12 -52.17(18) . . . . ?
C11 P2 Rh1 I12 67.14(19) . . . . ?
C13 P1 Rh1 C22 170.4(5) . . . . ?
C2 P1 Rh1 C22 52.3(5) . . . . ?
C5 P1 Rh1 C22 -67.8(5) . . . . ?
C13 P1 Rh1 P2 -4.2(2) . . . . ?
C2 P1 Rh1 P2 -122.3(2) . . . . ?
C5 P1 Rh1 P2 117.6(2) . . . . ?
C13 P1 Rh1 I11 171.6(2) . . . . ?
C2 P1 Rh1 I11 53.5(2) . . . . ?
C5 P1 Rh1 I11 -66.5(2) . . . . ?
C13 P1 Rh1 I12 147.5(3) . . . . ?
C2 P1 Rh1 I12 29.4(4) . . . . ?
C5 P1 Rh1 I12 -90.6(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.803
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.174
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lz321solsol5050
_database_code_depnum_ccdc_archive 'CCDC 1050058'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H32 Cl O P2 Rh'
_chemical_formula_sum            'C15 H32 Cl O P2 Rh'
_chemical_formula_weight         428.70

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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           120
_space_group_name_H-M_alt        'I -4 c 2'
_space_group_name_Hall           'I -4 -2c'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.5040(3)
_cell_length_b                   14.5040(3)
_cell_length_c                   18.6975(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3933.32(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    43996
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      29.48

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_F_000             1776
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    1.162
_shelx_estimated_absorpt_T_min   0.737
_shelx_estimated_absorpt_T_max   0.836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7352
_exptl_absorpt_correction_T_max  0.8348
_exptl_absorpt_process_details   'Platon 1990, Spek, 2003'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53509
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.948
_diffrn_reflns_theta_max         29.231
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             2660
_reflns_number_gt                2436
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.838
_reflns_Friedel_fraction_max     0.994
_reflns_Friedel_fraction_full    0.996

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0198P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1051 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.00(2)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2660
_refine_ls_number_parameters     175
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_ref         0.0354
_refine_ls_wR_factor_gt          0.0344
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.24200(2) 0.25800(2) 0.0000 0.01717(6) Uani 1 2 d S TU P . .
P1A P 0.35380(13) 0.20351(13) 0.07646(10) 0.0181(5) Uiso 0.5 1 d . . P A 1
C1A C 0.4101(16) 0.098(2) 0.0361(15) 0.020(3) Uani 0.5 1 d . . P A 1
H1A H 0.4765 0.0993 0.0483 0.024 Uiso 0.5 1 calc R U P A 1
H1B H 0.3830 0.0427 0.0587 0.024 Uiso 0.5 1 calc R U P A 1
C2A C 0.4344(6) 0.2701(6) 0.1121(4) 0.0278(16) Uani 0.5 1 d D . P A 1
H2A H 0.4769 0.2297 0.1402 0.033 Uiso 0.5 1 calc R U P A 1
C3A C 0.4007(7) 0.3463(7) 0.1615(5) 0.055(3) Uani 0.5 1 d D . P A 1
H3A1 H 0.4532 0.3836 0.1772 0.082 Uiso 0.5 1 calc R U P A 1
H3A2 H 0.3704 0.3190 0.2032 0.082 Uiso 0.5 1 calc R U P A 1
H3A3 H 0.3567 0.3855 0.1358 0.082 Uiso 0.5 1 calc R U P A 1
C4A C 0.4875(6) 0.3075(6) 0.0495(4) 0.0323(18) Uani 0.5 1 d D . P A 1
H4A1 H 0.4467 0.3455 0.0198 0.048 Uiso 0.5 1 calc R U P A 1
H4A2 H 0.5116 0.2563 0.0209 0.048 Uiso 0.5 1 calc R U P A 1
H4A3 H 0.5389 0.3453 0.0669 0.048 Uiso 0.5 1 calc R U P A 1
C6A C 0.2037(7) 0.0919(5) 0.1478(4) 0.0367(19) Uani 0.5 1 d D . P A 1
H6A1 H 0.2237 0.0363 0.1225 0.055 Uiso 0.5 1 calc R U P A 1
H6A2 H 0.1600 0.1263 0.1179 0.055 Uiso 0.5 1 calc R U P A 1
H6A3 H 0.1736 0.0744 0.1928 0.055 Uiso 0.5 1 calc R U P A 1
C5A C 0.2870(6) 0.1523(5) 0.1640(4) 0.0299(19) Uani 0.5 1 d D . P A 1
H5A H 0.2640 0.2064 0.1919 0.036 Uiso 0.5 1 calc R U P A 1
C7A C 0.3566(9) 0.1012(9) 0.2120(6) 0.070(3) Uani 0.5 1 d D . P A 1
H7A1 H 0.3243 0.0747 0.2531 0.105 Uiso 0.5 1 calc R U P A 1
H7A2 H 0.4035 0.1447 0.2288 0.105 Uiso 0.5 1 calc R U P A 1
H7A3 H 0.3862 0.0518 0.1845 0.105 Uiso 0.5 1 calc R U P A 1
C8 C 0.1902(9) 0.3288(8) 0.0745(7) 0.035(2) Uani 0.5 1 d . U P A 1
O1 O 0.1570(5) 0.3701(4) 0.1179(3) 0.0545(19) Uani 0.5 1 d . U P A 1
P1B P 0.33857(13) 0.19536(12) 0.08008(10) 0.0204(6) Uiso 0.5 1 d . . P A 2
C1B C 0.3947(15) 0.095(2) 0.0453(15) 0.021(4) Uani 0.5 1 d . . P A 2
H1C H 0.4565 0.0884 0.0672 0.026 Uiso 0.5 1 calc R U P A 2
H1D H 0.3582 0.0393 0.0571 0.026 Uiso 0.5 1 calc R U P A 2
C2B C 0.4507(6) 0.2844(5) 0.0876(5) 0.0245(17) Uani 0.5 1 d D . P A 2
H2B H 0.5021 0.2511 0.1121 0.029 Uiso 0.5 1 calc R U P A 2
C3B C 0.4234(6) 0.3671(6) 0.1338(5) 0.048(2) Uani 0.5 1 d D . P A 2
H3B1 H 0.4767 0.4078 0.1400 0.071 Uiso 0.5 1 calc R U P A 2
H3B2 H 0.4025 0.3453 0.1807 0.071 Uiso 0.5 1 calc R U P A 2
H3B3 H 0.3734 0.4011 0.1104 0.071 Uiso 0.5 1 calc R U P A 2
C4B C 0.4848(6) 0.3155(6) 0.0155(4) 0.032(2) Uani 0.5 1 d D . P A 2
H4B1 H 0.4341 0.3446 -0.0108 0.048 Uiso 0.5 1 calc R U P A 2
H4B2 H 0.5074 0.2622 -0.0114 0.048 Uiso 0.5 1 calc R U P A 2
H4B3 H 0.5349 0.3601 0.0219 0.048 Uiso 0.5 1 calc R U P A 2
C5B C 0.3195(6) 0.1750(7) 0.1685(4) 0.0351(16) Uani 0.5 1 d D . P A 2
H5B H 0.3006 0.2346 0.1911 0.042 Uiso 0.5 1 calc R U P A 2
C6B C 0.2366(7) 0.1106(7) 0.1702(4) 0.0380(18) Uani 0.5 1 d D . P A 2
H6B1 H 0.2528 0.0520 0.1474 0.057 Uiso 0.5 1 calc R U P A 2
H6B2 H 0.1851 0.1391 0.1443 0.057 Uiso 0.5 1 calc R U P A 2
H6B3 H 0.2184 0.0995 0.2199 0.057 Uiso 0.5 1 calc R U P A 2
C7B C 0.4010(9) 0.1360(10) 0.2117(6) 0.065(4) Uani 0.5 1 d D . P A 2
H7B1 H 0.3833 0.1303 0.2620 0.097 Uiso 0.5 1 calc R U P A 2
H7B2 H 0.4539 0.1777 0.2075 0.097 Uiso 0.5 1 calc R U P A 2
H7B3 H 0.4177 0.0751 0.1929 0.097 Uiso 0.5 1 calc R U P A 2
Cl1 Cl 0.14756(17) 0.3273(2) -0.08783(15) 0.0311(5) Uani 0.5 1 d . U P A 2


_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
Rh1 C8 1.886(9) 16_554 ?
Rh1 C8 1.886(9) . ?
Rh1 P1B 2.2424(19) 16_554 ?
Rh1 P1A 2.3016(18) 16_554 ?
Rh1 P1B 2.2425(19) . ?
Rh1 P1A 2.3016(18) . ?
Rh1 Cl1 2.363(2) 16_554 ?
Rh1 Cl1 2.363(2) . ?
P1A C2A 1.656(9) . ?
P1A C1A 1.89(3) . ?
P1A C5A 2.042(7) . ?
C1A C1A 1.36(6) 16_554 ?
C1A H1A 0.9900 . ?
C1A H1B 0.9900 . ?
C2A C4A 1.503(9) . ?
C2A C3A 1.521(11) . ?
C2A H2A 1.0000 . ?
C3A H3A1 0.9800 . ?
C3A H3A2 0.9800 . ?
C3A H3A3 0.9800 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
C6A C5A 1.522(9) . ?
C6A H6A1 0.9800 . ?
C6A H6A2 0.9800 . ?
C6A H6A3 0.9800 . ?
C5A C7A 1.540(11) . ?
C5A H5A 1.0000 . ?
C7A H7A1 0.9800 . ?
C7A H7A2 0.9800 . ?
C7A H7A3 0.9800 . ?
C8 O1 1.119(9) . ?
P1B C5B 1.701(9) . ?
P1B C1B 1.79(3) . ?
P1B C2B 2.082(8) . ?
C1B C1B 1.71(5) 16_554 ?
C1B H1C 0.9900 . ?
C1B H1D 0.9900 . ?
C2B C4B 1.504(8) . ?
C2B C3B 1.530(9) . ?
C2B H2B 1.0000 . ?
C3B H3B1 0.9800 . ?
C3B H3B2 0.9800 . ?
C3B H3B3 0.9800 . ?
C4B H4B1 0.9800 . ?
C4B H4B2 0.9800 . ?
C4B H4B3 0.9800 . ?
C5B C6B 1.522(11) . ?
C5B C7B 1.540(12) . ?
C5B H5B 1.0000 . ?
C6B H6B1 0.9800 . ?
C6B H6B2 0.9800 . ?
C6B H6B3 0.9800 . ?
C7B H7B1 0.9800 . ?
C7B H7B2 0.9800 . ?
C7B H7B3 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
C8 Rh1 C8 96.4(8) 16_554 . ?
C8 Rh1 P1A 90.5(4) 16_554 16_554 ?
C8 Rh1 P1A 168.2(4) . 16_554 ?
P1B Rh1 P1B 86.55(10) 16_554 . ?
C8 Rh1 P1A 168.2(4) 16_554 . ?
C8 Rh1 P1A 90.5(4) . . ?
P1A Rh1 P1A 84.38(9) 16_554 . ?
P1B Rh1 Cl1 176.77(9) 16_554 16_554 ?
P1B Rh1 Cl1 92.10(8) . 16_554 ?
P1B Rh1 Cl1 92.10(8) 16_554 . ?
P1B Rh1 Cl1 176.77(9) . . ?
Cl1 Rh1 Cl1 89.40(13) 16_554 . ?
C2A P1A C1A 109.1(8) . . ?
C2A P1A C5A 103.0(4) . . ?
C1A P1A C5A 103.3(7) . . ?
C2A P1A Rh1 123.1(3) . . ?
C1A P1A Rh1 109.5(9) . . ?
C5A P1A Rh1 106.8(3) . . ?
C1A C1A P1A 115.4(9) 16_554 . ?
C1A C1A H1A 108.4 16_554 . ?
P1A C1A H1A 108.4 . . ?
C1A C1A H1B 108.4 16_554 . ?
P1A C1A H1B 108.4 . . ?
H1A C1A H1B 107.5 . . ?
C4A C2A C3A 112.0(7) . . ?
C4A C2A P1A 105.0(6) . . ?
C3A C2A P1A 116.2(7) . . ?
C4A C2A H2A 107.7 . . ?
C3A C2A H2A 107.7 . . ?
P1A C2A H2A 107.8 . . ?
C2A C3A H3A1 109.5 . . ?
C2A C3A H3A2 109.5 . . ?
H3A1 C3A H3A2 109.5 . . ?
C2A C3A H3A3 109.5 . . ?
H3A1 C3A H3A3 109.5 . . ?
H3A2 C3A H3A3 109.5 . . ?
C2A C4A H4A1 109.5 . . ?
C2A C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C2A C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C5A C6A H6A1 109.5 . . ?
C5A C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
C5A C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
C6A C5A C7A 111.1(7) . . ?
C6A C5A P1A 115.3(5) . . ?
C7A C5A P1A 109.3(7) . . ?
C6A C5A H5A 106.9 . . ?
C7A C5A H5A 106.9 . . ?
P1A C5A H5A 106.9 . . ?
C5A C7A H7A1 109.5 . . ?
C5A C7A H7A2 109.5 . . ?
H7A1 C7A H7A2 109.5 . . ?
C5A C7A H7A3 109.5 . . ?
H7A1 C7A H7A3 109.5 . . ?
H7A2 C7A H7A3 109.5 . . ?
O1 C8 Rh1 178.0(14) . . ?
C5B P1B C1B 106.6(8) . . ?
C5B P1B C2B 99.8(4) . . ?
C1B P1B C2B 100.0(8) . . ?
C5B P1B Rh1 128.1(3) . . ?
C1B P1B Rh1 111.8(9) . . ?
C2B P1B Rh1 106.3(3) . . ?
C1B C1B P1B 109.2(9) 16_554 . ?
C1B C1B H1C 109.8 16_554 . ?
P1B C1B H1C 109.8 . . ?
C1B C1B H1D 109.8 16_554 . ?
P1B C1B H1D 109.8 . . ?
H1C C1B H1D 108.3 . . ?
C4B C2B C3B 110.9(7) . . ?
C4B C2B P1B 112.5(6) . . ?
C3B C2B P1B 108.8(5) . . ?
C4B C2B H2B 108.2 . . ?
C3B C2B H2B 108.2 . . ?
P1B C2B H2B 108.2 . . ?
C2B C3B H3B1 109.5 . . ?
C2B C3B H3B2 109.5 . . ?
H3B1 C3B H3B2 109.5 . . ?
C2B C3B H3B3 109.5 . . ?
H3B1 C3B H3B3 109.5 . . ?
H3B2 C3B H3B3 109.5 . . ?
C2B C4B H4B1 109.5 . . ?
C2B C4B H4B2 109.5 . . ?
H4B1 C4B H4B2 109.5 . . ?
C2B C4B H4B3 109.5 . . ?
H4B1 C4B H4B3 109.5 . . ?
H4B2 C4B H4B3 109.5 . . ?
C6B C5B C7B 111.7(8) . . ?
C6B C5B P1B 104.8(5) . . ?
C7B C5B P1B 116.6(7) . . ?
C6B C5B H5B 107.8 . . ?
C7B C5B H5B 107.8 . . ?
P1B C5B H5B 107.8 . . ?
C5B C6B H6B1 109.5 . . ?
C5B C6B H6B2 109.5 . . ?
H6B1 C6B H6B2 109.5 . . ?
C5B C6B H6B3 109.5 . . ?
H6B1 C6B H6B3 109.5 . . ?
H6B2 C6B H6B3 109.5 . . ?
C5B C7B H7B1 109.5 . . ?
C5B C7B H7B2 109.5 . . ?
H7B1 C7B H7B2 109.5 . . ?
C5B C7B H7B3 109.5 . . ?
H7B1 C7B H7B3 109.5 . . ?
H7B2 C7B H7B3 109.5 . . ?

_refine_diff_density_max         0.287
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.048

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lz151
_database_code_depnum_ccdc_archive 'CCDC 1050059'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H68 O2 P4 Rh2'
_chemical_formula_sum            'C32 H68 O2 P4 Rh2'
_chemical_formula_weight         814.56

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'
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   P21/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                   20.9572(6)
_cell_length_b                   9.8967(3)
_cell_length_c                   18.3696(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.731(2)
_cell_angle_gamma                90.00
_cell_volume                     3808.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    41308
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      27.09

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1704
_exptl_absorpt_coefficient_mu    1.060
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6301
_exptl_absorpt_correction_T_max  0.9014
_exptl_absorpt_process_details   'Spek, 2003'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'STOE IPDS2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            29494
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         26.82
_reflns_number_total             8063
_reflns_number_gt                6801
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0443P)²+0.0000P] where P=(Fo²+2Fc²)/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     SHELXL
_refine_ls_extinction_coef       0.0032(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8063
_refine_ls_number_parameters     378
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0825
_refine_ls_wR_factor_gt          0.0793
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_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
Rh1 Rh 0.191842(10) 0.97401(2) 0.356542(11) 0.01648(7) Uani 1 1 d . . .
Rh2 Rh 0.306211(10) 0.92193(2) 0.305051(11) 0.01657(7) Uani 1 1 d . . .
P1 P 0.35334(4) 0.91270(7) 0.19477(4) 0.02011(16) Uani 1 1 d . . .
P2 P 0.39779(4) 0.89032(8) 0.37193(4) 0.02045(16) Uani 1 1 d . . .
P3 P 0.15353(3) 1.17849(7) 0.39678(4) 0.01989(16) Uani 1 1 d . . .
P4 P 0.09926(3) 0.85438(7) 0.36395(4) 0.01784(15) Uani 1 1 d . . .
O1 O 0.25717(10) 0.7313(2) 0.41767(13) 0.0335(5) Uani 1 1 d . . .
O2 O 0.21214(11) 1.0928(2) 0.21493(12) 0.0319(5) Uani 1 1 d . . .
C1 C 0.44086(15) 0.8945(4) 0.19264(18) 0.0324(7) Uani 1 1 d . . .
H1A H 0.4512 0.7969 0.1923 0.039 Uiso 1 1 calc R . .
H1B H 0.4555 0.9334 0.1464 0.039 Uiso 1 1 calc R . .
C2 C 0.47832(18) 0.9600(5) 0.2548(2) 0.0441(9) Uani 1 1 d . . .
H2A H 0.5236 0.9648 0.2413 0.053 Uiso 1 1 calc R . .
H2B H 0.4629 1.0539 0.2600 0.053 Uiso 1 1 calc R . .
C3 C 0.47524(15) 0.8922(4) 0.32721(18) 0.0322(7) Uani 1 1 d . . .
H3A H 0.5067 0.9367 0.3606 0.039 Uiso 1 1 calc R . .
H3B H 0.4892 0.7974 0.3213 0.039 Uiso 1 1 calc R . .
C4 C 0.40689(14) 0.7374(3) 0.42963(16) 0.0243(6) Uani 1 1 d . . .
H4A H 0.3693 0.7352 0.4619 0.029 Uiso 1 1 calc R . .
C5 C 0.46662(16) 0.7349(4) 0.47957(18) 0.0324(7) Uani 1 1 d . . .
H5A H 0.4688 0.6486 0.5057 0.049 Uiso 1 1 calc R . .
H5B H 0.4647 0.8092 0.5147 0.049 Uiso 1 1 calc R . .
H5C H 0.5046 0.7452 0.4503 0.049 Uiso 1 1 calc R . .
C6 C 0.40280(18) 0.6099(3) 0.38219(17) 0.0325(7) Uani 1 1 d . . .
H6A H 0.4395 0.6068 0.3504 0.049 Uiso 1 1 calc R . .
H6B H 0.3632 0.6118 0.3524 0.049 Uiso 1 1 calc R . .
H6C H 0.4031 0.5297 0.4135 0.049 Uiso 1 1 calc R . .
C7 C 0.40904(15) 1.0311(3) 0.43775(16) 0.0252(6) Uani 1 1 d . . .
H7 H 0.4523 1.0217 0.4616 0.030 Uiso 1 1 calc R . .
C8 C 0.40592(17) 1.1673(3) 0.39886(18) 0.0315(7) Uani 1 1 d . . .
H8A H 0.3649 1.1756 0.3721 0.047 Uiso 1 1 calc R . .
H8B H 0.4408 1.1736 0.3647 0.047 Uiso 1 1 calc R . .
H8C H 0.4100 1.2402 0.4348 0.047 Uiso 1 1 calc R . .
C9 C 0.35958(18) 1.0262(3) 0.49674(17) 0.0324(7) Uani 1 1 d . . .
H9A H 0.3672 1.1007 0.5311 0.049 Uiso 1 1 calc R . .
H9B H 0.3630 0.9399 0.5228 0.049 Uiso 1 1 calc R . .
H9C H 0.3167 1.0349 0.4744 0.049 Uiso 1 1 calc R . .
C10 C 0.32764(16) 0.7656(3) 0.13898(16) 0.0262(6) Uani 1 1 d . . .
H10 H 0.3565 0.7580 0.0968 0.031 Uiso 1 1 calc R . .
C11 C 0.25916(17) 0.7828(4) 0.10919(18) 0.0337(7) Uani 1 1 d . . .
H11A H 0.2438 0.6968 0.0889 0.051 Uiso 1 1 calc R . .
H11B H 0.2582 0.8518 0.0709 0.051 Uiso 1 1 calc R . .
H11C H 0.2316 0.8108 0.1487 0.051 Uiso 1 1 calc R . .
C12 C 0.33321(19) 0.6360(3) 0.18354(18) 0.0356(8) Uani 1 1 d . . .
H12A H 0.3047 0.6411 0.2248 0.053 Uiso 1 1 calc R . .
H12B H 0.3774 0.6248 0.2017 0.053 Uiso 1 1 calc R . .
H12C H 0.3211 0.5586 0.1528 0.053 Uiso 1 1 calc R . .
C13 C 0.33717(16) 1.0584(3) 0.13373(16) 0.0253(6) Uani 1 1 d . . .
H13 H 0.2896 1.0653 0.1285 0.030 Uiso 1 1 calc R . .
C14 C 0.35949(18) 1.1904(3) 0.16989(19) 0.0347(8) Uani 1 1 d . . .
H14A H 0.4062 1.1949 0.1702 0.052 Uiso 1 1 calc R . .
H14B H 0.3449 1.1933 0.2201 0.052 Uiso 1 1 calc R . .
H14C H 0.3416 1.2673 0.1426 0.052 Uiso 1 1 calc R . .
C15 C 0.36138(18) 1.0470(3) 0.05662(17) 0.0328(7) Uani 1 1 d . . .
H15A H 0.3463 1.1246 0.0278 0.049 Uiso 1 1 calc R . .
H15B H 0.3452 0.9634 0.0342 0.049 Uiso 1 1 calc R . .
H15C H 0.4082 1.0456 0.0583 0.049 Uiso 1 1 calc R . .
C16 C 0.25226(13) 0.8257(3) 0.37923(16) 0.0219(6) Uani 1 1 d . . .
C17 C 0.23328(14) 1.0315(3) 0.26561(16) 0.0222(6) Uani 1 1 d . . .
C18 C 0.06836(14) 1.1810(3) 0.42019(16) 0.0227(6) Uani 1 1 d . . .
H18A H 0.0647 1.1496 0.4711 0.027 Uiso 1 1 calc R . .
H18B H 0.0530 1.2756 0.4180 0.027 Uiso 1 1 calc R . .
C19 C 0.02453(14) 1.0945(3) 0.37119(17) 0.0232(6) Uani 1 1 d . . .
H19A H -0.0198 1.1276 0.3752 0.028 Uiso 1 1 calc R . .
H19B H 0.0369 1.1071 0.3200 0.028 Uiso 1 1 calc R . .
C20 C 0.02577(14) 0.9437(3) 0.38857(17) 0.0230(6) Uani 1 1 d . . .
H20A H -0.0109 0.9002 0.3627 0.028 Uiso 1 1 calc R . .
H20B H 0.0198 0.9321 0.4415 0.028 Uiso 1 1 calc R . .
C21 C 0.07639(14) 0.7835(3) 0.27325(16) 0.0224(6) Uani 1 1 d . . .
H21 H 0.0355 0.7326 0.2777 0.027 Uiso 1 1 calc R . .
C22 C 0.12764(16) 0.6850(3) 0.24937(17) 0.0291(7) Uani 1 1 d . . .
H22A H 0.1165 0.6509 0.2005 0.044 Uiso 1 1 calc R . .
H22B H 0.1305 0.6092 0.2837 0.044 Uiso 1 1 calc R . .
H22C H 0.1689 0.7315 0.2485 0.044 Uiso 1 1 calc R . .
C23 C 0.06598(16) 0.8952(3) 0.21656(17) 0.0273(7) Uani 1 1 d . . .
H23A H 0.1046 0.9505 0.2141 0.041 Uiso 1 1 calc R . .
H23B H 0.0301 0.9521 0.2304 0.041 Uiso 1 1 calc R . .
H23C H 0.0566 0.8545 0.1688 0.041 Uiso 1 1 calc R . .
C24 C 0.09802(14) 0.7045(3) 0.42424(16) 0.0218(6) Uani 1 1 d . . .
H24 H 0.1343 0.6455 0.4099 0.026 Uiso 1 1 calc R . .
C25 C 0.03760(15) 0.6178(3) 0.41770(18) 0.0311(7) Uani 1 1 d . . .
H25A H 0.0412 0.5418 0.4518 0.047 Uiso 1 1 calc R . .
H25B H 0.0326 0.5832 0.3679 0.047 Uiso 1 1 calc R . .
H25C H 0.0004 0.6728 0.4293 0.047 Uiso 1 1 calc R . .
C26 C 0.11148(16) 0.7458(3) 0.50311(16) 0.0287(7) Uani 1 1 d . . .
H26A H 0.0760 0.8007 0.5202 0.043 Uiso 1 1 calc R . .
H26B H 0.1510 0.7985 0.5064 0.043 Uiso 1 1 calc R . .
H26C H 0.1160 0.6647 0.5334 0.043 Uiso 1 1 calc R . .
C27 C 0.19365(15) 1.2281(3) 0.48414(16) 0.0268(6) Uani 1 1 d . . .
H27 H 0.2399 1.2412 0.4741 0.032 Uiso 1 1 calc R . .
C28 C 0.18985(17) 1.1142(3) 0.53999(18) 0.0325(7) Uani 1 1 d . . .
H28A H 0.2153 1.1382 0.5837 0.049 Uiso 1 1 calc R . .
H28B H 0.2065 1.0306 0.5191 0.049 Uiso 1 1 calc R . .
H28C H 0.1453 1.1007 0.5530 0.049 Uiso 1 1 calc R . .
C29 C 0.16974(18) 1.3606(4) 0.51636(19) 0.0375(8) Uani 1 1 d . . .
H29A H 0.1235 1.3555 0.5221 0.056 Uiso 1 1 calc R . .
H29B H 0.1796 1.4355 0.4836 0.056 Uiso 1 1 calc R . .
H29C H 0.1908 1.3759 0.5640 0.056 Uiso 1 1 calc R . .
C30 C 0.15864(15) 1.3344(3) 0.34085(17) 0.0261(6) Uani 1 1 d . . .
H30 H 0.1402 1.4104 0.3693 0.031 Uiso 1 1 calc R . .
C31 C 0.11811(16) 1.3183(3) 0.27040(17) 0.0287(7) Uani 1 1 d . . .
H31A H 0.1271 1.3930 0.2372 0.043 Uiso 1 1 calc R . .
H31B H 0.0727 1.3191 0.2819 0.043 Uiso 1 1 calc R . .
H31C H 0.1286 1.2324 0.2471 0.043 Uiso 1 1 calc R . .
C32 C 0.22820(16) 1.3692(3) 0.32664(19) 0.0315(7) Uani 1 1 d . . .
H32A H 0.2486 1.2925 0.3029 0.047 Uiso 1 1 calc R . .
H32B H 0.2507 1.3888 0.3730 0.047 Uiso 1 1 calc R . .
H32C H 0.2299 1.4486 0.2949 0.047 Uiso 1 1 calc R . .


_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
Rh1 C16 1.975(3) . ?
Rh1 C17 1.989(3) . ?
Rh1 P4 2.2804(7) . ?
Rh1 P3 2.3070(7) . ?
Rh1 Rh2 2.6537(3) . ?
Rh2 C17 1.992(3) . ?
Rh2 C16 2.033(3) . ?
Rh2 P2 2.2689(7) . ?
Rh2 P1 2.2822(8) . ?
P1 C1 1.845(3) . ?
P1 C10 1.851(3) . ?
P1 C13 1.852(3) . ?
P2 C3 1.841(3) . ?
P2 C4 1.854(3) . ?
P2 C7 1.855(3) . ?
P3 C18 1.849(3) . ?
P3 C27 1.855(3) . ?
P3 C30 1.859(3) . ?
P4 C20 1.844(3) . ?
P4 C24 1.852(3) . ?
P4 C21 1.857(3) . ?
O1 C16 1.174(4) . ?
O2 C17 1.186(4) . ?
C1 C2 1.512(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.493(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.530(4) . ?
C4 C6 1.534(4) . ?
C4 H4A 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C9 1.523(5) . ?
C7 C8 1.527(4) . ?
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 1.524(4) . ?
C10 C11 1.530(4) . ?
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 C15 1.523(4) . ?
C13 C14 1.532(4) . ?
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 . ?
C18 C19 1.529(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.526(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.525(4) . ?
C21 C23 1.530(4) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.523(4) . ?
C24 C25 1.531(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.528(4) . ?
C27 C29 1.530(4) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C32 1.528(4) . ?
C30 C31 1.535(4) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 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
C16 Rh1 C17 95.52(12) . . ?
C16 Rh1 P4 98.21(9) . . ?
C17 Rh1 P4 126.33(9) . . ?
C16 Rh1 P3 144.24(9) . . ?
C17 Rh1 P3 100.56(9) . . ?
P4 Rh1 P3 97.55(3) . . ?
C16 Rh1 Rh2 49.50(9) . . ?
C17 Rh1 Rh2 48.25(8) . . ?
P4 Rh1 Rh2 134.40(2) . . ?
P3 Rh1 Rh2 127.69(2) . . ?
C17 Rh2 C16 93.59(12) . . ?
C17 Rh2 P2 154.03(9) . . ?
C16 Rh2 P2 92.92(8) . . ?
C17 Rh2 P1 92.68(9) . . ?
C16 Rh2 P1 147.18(8) . . ?
P2 Rh2 P1 95.36(3) . . ?
C17 Rh2 Rh1 48.14(9) . . ?
C16 Rh2 Rh1 47.59(8) . . ?
P2 Rh2 Rh1 126.30(2) . . ?
P1 Rh2 Rh1 138.07(2) . . ?
C1 P1 C10 100.61(15) . . ?
C1 P1 C13 103.12(16) . . ?
C10 P1 C13 103.45(14) . . ?
C1 P1 Rh2 118.69(11) . . ?
C10 P1 Rh2 113.35(11) . . ?
C13 P1 Rh2 115.48(10) . . ?
C3 P2 C4 100.75(15) . . ?
C3 P2 C7 100.76(15) . . ?
C4 P2 C7 103.39(13) . . ?
C3 P2 Rh2 119.97(10) . . ?
C4 P2 Rh2 119.52(10) . . ?
C7 P2 Rh2 109.77(10) . . ?
C18 P3 C27 102.17(14) . . ?
C18 P3 C30 100.92(14) . . ?
C27 P3 C30 103.08(14) . . ?
C18 P3 Rh1 115.73(9) . . ?
C27 P3 Rh1 110.87(10) . . ?
C30 P3 Rh1 121.65(10) . . ?
C20 P4 C24 102.13(14) . . ?
C20 P4 C21 101.89(14) . . ?
C24 P4 C21 103.07(13) . . ?
C20 P4 Rh1 118.97(10) . . ?
C24 P4 Rh1 118.62(10) . . ?
C21 P4 Rh1 109.85(10) . . ?
C2 C1 P1 115.9(3) . . ?
C2 C1 H1A 108.3 . . ?
P1 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
P1 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C3 C2 C1 116.4(3) . . ?
C3 C2 H2A 108.2 . . ?
C1 C2 H2A 108.2 . . ?
C3 C2 H2B 108.2 . . ?
C1 C2 H2B 108.2 . . ?
H2A C2 H2B 107.3 . . ?
C2 C3 P2 117.7(2) . . ?
C2 C3 H3A 107.9 . . ?
P2 C3 H3A 107.9 . . ?
C2 C3 H3B 107.9 . . ?
P2 C3 H3B 107.9 . . ?
H3A C3 H3B 107.2 . . ?
C5 C4 C6 111.0(3) . . ?
C5 C4 P2 115.1(2) . . ?
C6 C4 P2 110.1(2) . . ?
C5 C4 H4A 106.7 . . ?
C6 C4 H4A 106.7 . . ?
P2 C4 H4A 106.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C9 C7 C8 109.9(3) . . ?
C9 C7 P2 111.4(2) . . ?
C8 C7 P2 110.8(2) . . ?
C9 C7 H7 108.2 . . ?
C8 C7 H7 108.2 . . ?
P2 C7 H7 108.2 . . ?
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 110.0(3) . . ?
C12 C10 P1 110.4(2) . . ?
C11 C10 P1 111.4(2) . . ?
C12 C10 H10 108.3 . . ?
C11 C10 H10 108.3 . . ?
P1 C10 H10 108.3 . . ?
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 . . ?
C15 C13 C14 111.2(3) . . ?
C15 C13 P1 116.4(2) . . ?
C14 C13 P1 110.7(2) . . ?
C15 C13 H13 105.9 . . ?
C14 C13 H13 105.9 . . ?
P1 C13 H13 105.9 . . ?
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 . . ?
O1 C16 Rh1 139.7(2) . . ?
O1 C16 Rh2 137.4(2) . . ?
Rh1 C16 Rh2 82.91(11) . . ?
O2 C17 Rh1 130.0(2) . . ?
O2 C17 Rh2 145.9(2) . . ?
Rh1 C17 Rh2 83.60(11) . . ?
C19 C18 P3 115.0(2) . . ?
C19 C18 H18A 108.5 . . ?
P3 C18 H18A 108.5 . . ?
C19 C18 H18B 108.5 . . ?
P3 C18 H18B 108.5 . . ?
H18A C18 H18B 107.5 . . ?
C20 C19 C18 114.7(2) . . ?
C20 C19 H19A 108.6 . . ?
C18 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
C18 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
C19 C20 P4 115.2(2) . . ?
C19 C20 H20A 108.5 . . ?
P4 C20 H20A 108.5 . . ?
C19 C20 H20B 108.5 . . ?
P4 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 C23 110.7(3) . . ?
C22 C21 P4 109.5(2) . . ?
C23 C21 P4 111.44(19) . . ?
C22 C21 H21 108.4 . . ?
C23 C21 H21 108.4 . . ?
P4 C21 H21 108.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C25 110.7(3) . . ?
C26 C24 P4 110.4(2) . . ?
C25 C24 P4 115.4(2) . . ?
C26 C24 H24 106.6 . . ?
C25 C24 H24 106.6 . . ?
P4 C24 H24 106.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 110.4(3) . . ?
C28 C27 P3 110.8(2) . . ?
C29 C27 P3 114.6(2) . . ?
C28 C27 H27 106.9 . . ?
C29 C27 H27 106.9 . . ?
P3 C27 H27 106.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C32 C30 C31 112.7(3) . . ?
C32 C30 P3 110.6(2) . . ?
C31 C30 P3 109.9(2) . . ?
C32 C30 H30 107.8 . . ?
C31 C30 H30 107.8 . . ?
P3 C30 H30 107.8 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        26.82
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.880
_refine_diff_density_rms         0.101
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_11_lzss28
_database_code_depnum_ccdc_archive 'CCDC 1050060'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H64 O2 P4 Rh2'
_chemical_formula_sum            'C30 H64 O2 P4 Rh2'
_chemical_formula_weight         786.51

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'
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           orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   16.2527(5)
_cell_length_b                   12.6551(4)
_cell_length_c                   35.9245(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7388.9(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      26.16

_exptl_crystal_description       fragment
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3280
_exptl_absorpt_coefficient_mu    1.090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5668
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Bruker APEX2'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            61711
_diffrn_reflns_av_R_equivalents  0.1158
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         2.33
_diffrn_reflns_theta_max         26.39
_reflns_number_total             7339
_reflns_number_gt                5341
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0135P)²+28.4653P] where P=(Fo²+2Fc²)/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         7339
_refine_ls_number_parameters     359
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.0861
_refine_ls_wR_factor_gt          0.0783
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.106
_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 0.4451(3) -0.0565(4) 0.21763(13) 0.0178(11) Uani 1 1 d . . .
H1A H 0.4614 -0.1192 0.2313 0.021 Uiso 1 1 calc R . .
H1B H 0.4320 -0.0019 0.2356 0.021 Uiso 1 1 calc R . .
C2 C 0.3687(3) -0.0813(4) 0.19484(13) 0.0211(12) Uani 1 1 d . . .
H2A H 0.3205 -0.0764 0.2107 0.025 Uiso 1 1 calc R . .
H2B H 0.3722 -0.1531 0.1855 0.025 Uiso 1 1 calc R . .
C3 C 0.2982(3) -0.0677(4) 0.12076(14) 0.0214(12) Uani 1 1 d . . .
H3 H 0.2489 -0.0959 0.1330 0.026 Uiso 1 1 calc R . .
C4 C 0.2716(3) 0.0031(5) 0.08830(14) 0.0305(14) Uani 1 1 d . . .
H4A H 0.3192 0.0351 0.0773 0.046 Uiso 1 1 calc R . .
H4B H 0.2354 0.0573 0.0973 0.046 Uiso 1 1 calc R . .
H4C H 0.2434 -0.0386 0.0700 0.046 Uiso 1 1 calc R . .
C5 C 0.3492(4) -0.1602(4) 0.10575(16) 0.0301(14) Uani 1 1 d . . .
H5A H 0.3164 -0.2012 0.0889 0.045 Uiso 1 1 calc R . .
H5B H 0.3667 -0.2041 0.1261 0.045 Uiso 1 1 calc R . .
H5C H 0.3966 -0.1334 0.0929 0.045 Uiso 1 1 calc R . .
C6 C 0.2805(3) 0.1097(4) 0.17070(14) 0.0177(11) Uani 1 1 d . . .
H6 H 0.2730 0.1594 0.1500 0.021 Uiso 1 1 calc R . .
C7 C 0.3150(3) 0.1738(4) 0.20303(15) 0.0274(14) Uani 1 1 d . . .
H7A H 0.2790 0.2320 0.2083 0.041 Uiso 1 1 calc R . .
H7B H 0.3685 0.2002 0.1965 0.041 Uiso 1 1 calc R . .
H7C H 0.3194 0.1295 0.2246 0.041 Uiso 1 1 calc R . .
C8 C 0.1951(3) 0.0659(5) 0.17988(15) 0.0283(13) Uani 1 1 d . . .
H8A H 0.1996 0.0153 0.1997 0.042 Uiso 1 1 calc R . .
H8B H 0.1725 0.0324 0.1582 0.042 Uiso 1 1 calc R . .
H8C H 0.1598 0.1227 0.1875 0.042 Uiso 1 1 calc R . .
C9 C 0.5943(3) 0.0669(4) 0.22210(13) 0.0186(11) Uani 1 1 d . . .
H9 H 0.6039 0.0240 0.2444 0.022 Uiso 1 1 calc R . .
C10 C 0.5491(4) 0.1682(4) 0.23366(15) 0.0293(14) Uani 1 1 d . . .
H10A H 0.5836 0.2090 0.2499 0.044 Uiso 1 1 calc R . .
H10B H 0.4991 0.1500 0.2464 0.044 Uiso 1 1 calc R . .
H10C H 0.5362 0.2090 0.2119 0.044 Uiso 1 1 calc R . .
C11 C 0.6770(3) 0.0960(4) 0.20523(16) 0.0279(14) Uani 1 1 d . . .
H11A H 0.6685 0.1338 0.1824 0.042 Uiso 1 1 calc R . .
H11B H 0.7078 0.0328 0.2003 0.042 Uiso 1 1 calc R . .
H11C H 0.7070 0.1397 0.2223 0.042 Uiso 1 1 calc R . .
C12 C 0.5980(3) -0.1304(4) 0.18205(13) 0.0165(11) Uani 1 1 d . . .
H12 H 0.6436 -0.1094 0.1659 0.020 Uiso 1 1 calc R . .
C13 C 0.5494(3) -0.2150(4) 0.16112(14) 0.0260(12) Uani 1 1 d . . .
H13A H 0.5857 -0.2714 0.1540 0.039 Uiso 1 1 calc R . .
H13B H 0.5252 -0.1846 0.1392 0.039 Uiso 1 1 calc R . .
H13C H 0.5068 -0.2423 0.1769 0.039 Uiso 1 1 calc R . .
C14 C 0.6362(3) -0.1765(4) 0.21743(14) 0.0241(13) Uani 1 1 d . . .
H14A H 0.5935 -0.1931 0.2349 0.036 Uiso 1 1 calc R . .
H14B H 0.6730 -0.1257 0.2282 0.036 Uiso 1 1 calc R . .
H14C H 0.6661 -0.2395 0.2113 0.036 Uiso 1 1 calc R . .
C15 C 0.5929(3) 0.0765(4) 0.11083(12) 0.0148(11) Uani 1 1 d . . .
C16 C 0.4372(3) 0.2068(4) 0.11600(13) 0.0199(11) Uani 1 1 d . . .
C17 C 0.6376(3) 0.4468(4) 0.06760(14) 0.0189(12) Uani 1 1 d U . .
H17A H 0.6230 0.5174 0.0594 0.023 Uiso 1 1 calc R . .
H17B H 0.6890 0.4516 0.0812 0.023 Uiso 1 1 calc R . .
C18 C 0.6496(3) 0.3758(4) 0.03361(14) 0.0196(12) Uani 1 1 d U . .
H18A H 0.7034 0.3889 0.0229 0.024 Uiso 1 1 calc R . .
H18B H 0.6085 0.3931 0.0150 0.024 Uiso 1 1 calc R . .
C19 C 0.7486(3) 0.1897(4) 0.05165(13) 0.0165(11) Uani 1 1 d . . .
H19 H 0.7464 0.1134 0.0564 0.020 Uiso 1 1 calc R . .
C20 C 0.7874(3) 0.2400(4) 0.08584(15) 0.0265(13) Uani 1 1 d . . .
H20A H 0.8402 0.2084 0.0904 0.040 Uiso 1 1 calc R . .
H20B H 0.7525 0.2288 0.1070 0.040 Uiso 1 1 calc R . .
H20C H 0.7941 0.3144 0.0817 0.040 Uiso 1 1 calc R . .
C21 C 0.8027(3) 0.2054(5) 0.01727(15) 0.0283(13) Uani 1 1 d . . .
H21A H 0.8076 0.2795 0.0120 0.042 Uiso 1 1 calc R . .
H21B H 0.7781 0.1702 -0.0037 0.042 Uiso 1 1 calc R . .
H21C H 0.8563 0.1763 0.0218 0.042 Uiso 1 1 calc R . .
C22 C 0.6089(3) 0.1706(4) 0.00174(14) 0.0225(12) Uani 1 1 d . . .
H22 H 0.6448 0.1961 -0.0183 0.027 Uiso 1 1 calc R . .
C23 C 0.5205(3) 0.2000(4) -0.00755(14) 0.0282(13) Uani 1 1 d . . .
H23A H 0.5049 0.1673 -0.0306 0.042 Uiso 1 1 calc R . .
H23B H 0.5160 0.2754 -0.0099 0.042 Uiso 1 1 calc R . .
H23C H 0.4848 0.1760 0.0120 0.042 Uiso 1 1 calc R . .
C24 C 0.6180(4) 0.0505(4) 0.00456(15) 0.0273(13) Uani 1 1 d . . .
H24A H 0.5898 0.0256 0.0264 0.041 Uiso 1 1 calc R . .
H24B H 0.6752 0.0324 0.0062 0.041 Uiso 1 1 calc R . .
H24C H 0.5945 0.0180 -0.0171 0.041 Uiso 1 1 calc R . .
C25 C 0.4630(3) 0.4725(4) 0.08598(13) 0.0171(12) Uani 1 1 d U . .
H25 H 0.4187 0.4487 0.1025 0.021 Uiso 1 1 calc R . .
C26 C 0.4381(3) 0.4428(4) 0.04658(13) 0.0194(11) Uani 1 1 d U . .
H26A H 0.3879 0.4784 0.0402 0.029 Uiso 1 1 calc R . .
H26B H 0.4299 0.3678 0.0451 0.029 Uiso 1 1 calc R . .
H26C H 0.4808 0.4633 0.0296 0.029 Uiso 1 1 calc R . .
C27 C 0.4691(4) 0.5921(4) 0.09032(16) 0.0298(14) Uani 1 1 d U . .
H27A H 0.5139 0.6181 0.0755 0.045 Uiso 1 1 calc R . .
H27B H 0.4787 0.6092 0.1160 0.045 Uiso 1 1 calc R . .
H27C H 0.4187 0.6242 0.0822 0.045 Uiso 1 1 calc R . .
C28 C 0.5860(3) 0.4522(4) 0.14484(14) 0.0225(12) Uani 1 1 d . . .
H28 H 0.5994 0.5271 0.1414 0.027 Uiso 1 1 calc R . .
C29 C 0.6618(3) 0.3966(4) 0.16007(16) 0.0315(15) Uani 1 1 d . . .
H29A H 0.6749 0.4248 0.1842 0.047 Uiso 1 1 calc R . .
H29B H 0.7073 0.4077 0.1435 0.047 Uiso 1 1 calc R . .
H29C H 0.6509 0.3223 0.1622 0.047 Uiso 1 1 calc R . .
C30 C 0.5143(3) 0.4442(5) 0.17230(14) 0.0297(14) Uani 1 1 d . . .
H30A H 0.4968 0.3720 0.1742 0.045 Uiso 1 1 calc R . .
H30B H 0.4694 0.4869 0.1636 0.045 Uiso 1 1 calc R . .
H30C H 0.5317 0.4689 0.1963 0.045 Uiso 1 1 calc R . .
O1 O 0.6498(2) 0.0177(3) 0.10843(10) 0.0244(9) Uani 1 1 d . . .
O2 O 0.3767(2) 0.2595(3) 0.11411(11) 0.0313(10) Uani 1 1 d . . .
P1 P 0.53269(8) -0.01163(9) 0.18868(3) 0.0124(3) Uani 1 1 d . . .
P2 P 0.35717(8) 0.01140(10) 0.15495(3) 0.0134(3) Uani 1 1 d . . .
P3 P 0.55658(8) 0.39663(9) 0.09891(4) 0.0140(3) Uani 1 1 d U . .
P4 P 0.64071(8) 0.23458(10) 0.04600(3) 0.0141(3) Uani 1 1 d U . .
Rh1 Rh 0.55294(2) 0.21724(3) 0.095000(10) 0.01069(9) Uani 1 1 d . . .
Rh2 Rh 0.48253(2) 0.07552(3) 0.138496(10) 0.01032(9) Uani 1 1 d . . .


_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 1.521(7) . ?
C1 P1 1.852(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 P2 1.861(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C5 1.533(7) . ?
C3 C4 1.533(7) . ?
C3 P2 1.852(5) . ?
C3 H3 0.9800 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.523(7) . ?
C6 C8 1.530(7) . ?
C6 P2 1.850(5) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C11 1.520(7) . ?
C9 C10 1.535(7) . ?
C9 P1 1.852(5) . ?
C9 H9 0.9800 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.528(7) . ?
C12 C14 1.530(7) . ?
C12 P1 1.855(5) . ?
C12 H12 0.9800 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 O1 1.190(6) . ?
C15 Rh1 1.979(5) . ?
C15 Rh2 2.051(5) . ?
C16 O2 1.191(6) . ?
C16 Rh2 1.989(5) . ?
C16 Rh1 2.031(5) . ?
C17 C18 1.529(7) . ?
C17 P3 1.844(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 P4 1.847(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.521(7) . ?
C19 C21 1.529(7) . ?
C19 P4 1.854(5) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.522(7) . ?
C22 C24 1.531(7) . ?
C22 P4 1.858(5) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.519(6) . ?
C25 C27 1.524(7) . ?
C25 P3 1.858(5) . ?
C25 H25 0.9800 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.519(7) . ?
C28 C30 1.531(7) . ?
C28 P3 1.856(5) . ?
C28 H28 0.9800 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
P1 Rh2 2.2652(13) . ?
P2 Rh2 2.2714(13) . ?
P3 Rh1 2.2753(12) . ?
P4 Rh1 2.2764(13) . ?
Rh1 Rh2 2.6396(5) . ?

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 P1 112.9(3) . . ?
C2 C1 H1A 109.0 . . ?
P1 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
P1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C1 C2 P2 111.5(3) . . ?
C1 C2 H2A 109.3 . . ?
P2 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
P2 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C5 C3 C4 109.4(4) . . ?
C5 C3 P2 111.5(4) . . ?
C4 C3 P2 109.5(4) . . ?
C5 C3 H3 108.8 . . ?
C4 C3 H3 108.8 . . ?
P2 C3 H3 108.8 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C8 111.2(4) . . ?
C7 C6 P2 110.1(3) . . ?
C8 C6 P2 115.7(4) . . ?
C7 C6 H6 106.4 . . ?
C8 C6 H6 106.4 . . ?
P2 C6 H6 106.4 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 109.2(4) . . ?
C11 C9 P1 110.4(3) . . ?
C10 C9 P1 111.4(4) . . ?
C11 C9 H9 108.6 . . ?
C10 C9 H9 108.6 . . ?
P1 C9 H9 108.6 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 110.6(4) . . ?
C13 C12 P1 109.6(3) . . ?
C14 C12 P1 115.8(3) . . ?
C13 C12 H12 106.8 . . ?
C14 C12 H12 106.8 . . ?
P1 C12 H12 106.8 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Rh1 142.8(4) . . ?
O1 C15 Rh2 135.3(4) . . ?
Rh1 C15 Rh2 81.82(19) . . ?
O2 C16 Rh2 142.9(4) . . ?
O2 C16 Rh1 135.1(4) . . ?
Rh2 C16 Rh1 82.1(2) . . ?
C18 C17 P3 112.1(3) . . ?
C18 C17 H17A 109.2 . . ?
P3 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
P3 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 P4 111.5(3) . . ?
C17 C18 H18A 109.3 . . ?
P4 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
P4 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C21 111.1(4) . . ?
C20 C19 P4 110.6(3) . . ?
C21 C19 P4 114.5(3) . . ?
C20 C19 H19 106.7 . . ?
C21 C19 H19 106.7 . . ?
P4 C19 H19 106.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C24 110.4(5) . . ?
C23 C22 P4 110.1(4) . . ?
C24 C22 P4 110.5(4) . . ?
C23 C22 H22 108.6 . . ?
C24 C22 H22 108.6 . . ?
P4 C22 H22 108.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C27 111.0(4) . . ?
C26 C25 P3 108.8(3) . . ?
C27 C25 P3 115.7(4) . . ?
C26 C25 H25 106.9 . . ?
C27 C25 H25 106.9 . . ?
P3 C25 H25 106.9 . . ?
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 . . ?
C29 C28 C30 110.7(4) . . ?
C29 C28 P3 110.7(4) . . ?
C30 C28 P3 110.6(4) . . ?
C29 C28 H28 108.2 . . ?
C30 C28 H28 108.2 . . ?
P3 C28 H28 108.2 . . ?
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 . . ?
C1 P1 C9 102.4(2) . . ?
C1 P1 C12 105.3(2) . . ?
C9 P1 C12 102.1(2) . . ?
C1 P1 Rh2 108.64(16) . . ?
C9 P1 Rh2 116.68(16) . . ?
C12 P1 Rh2 119.88(16) . . ?
C6 P2 C3 102.6(2) . . ?
C6 P2 C2 104.8(2) . . ?
C3 P2 C2 102.8(2) . . ?
C6 P2 Rh2 116.32(16) . . ?
C3 P2 Rh2 119.00(17) . . ?
C2 P2 Rh2 109.60(17) . . ?
C17 P3 C28 103.2(2) . . ?
C17 P3 C25 104.7(2) . . ?
C28 P3 C25 103.7(2) . . ?
C17 P3 Rh1 108.95(15) . . ?
C28 P3 Rh1 116.08(17) . . ?
C25 P3 Rh1 118.63(16) . . ?
C18 P4 C19 104.4(2) . . ?
C18 P4 C22 103.7(2) . . ?
C19 P4 C22 102.9(2) . . ?
C18 P4 Rh1 109.17(16) . . ?
C19 P4 Rh1 118.57(15) . . ?
C22 P4 Rh1 116.47(17) . . ?
C15 Rh1 C16 98.0(2) . . ?
C15 Rh1 P3 150.64(14) . . ?
C16 Rh1 P3 93.78(15) . . ?
C15 Rh1 P4 95.93(14) . . ?
C16 Rh1 P4 150.92(14) . . ?
P3 Rh1 P4 86.29(5) . . ?
C15 Rh1 Rh2 50.26(14) . . ?
C16 Rh1 Rh2 48.27(14) . . ?
P3 Rh1 Rh2 130.74(4) . . ?
P4 Rh1 Rh2 142.65(4) . . ?
C16 Rh2 C15 97.0(2) . . ?
C16 Rh2 P1 149.69(15) . . ?
C15 Rh2 P1 94.24(14) . . ?
C16 Rh2 P2 94.14(15) . . ?
C15 Rh2 P2 155.91(14) . . ?
P1 Rh2 P2 86.66(5) . . ?
C16 Rh2 Rh1 49.64(15) . . ?
C15 Rh2 Rh1 47.92(14) . . ?
P1 Rh2 Rh1 130.23(4) . . ?
P2 Rh2 Rh1 141.79(4) . . ?

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
P1 C1 C2 P2 -36.3(5) . . . . ?
P3 C17 C18 P4 -38.6(5) . . . . ?
C2 C1 P1 C9 155.3(4) . . . . ?
C2 C1 P1 C12 -98.3(4) . . . . ?
C2 C1 P1 Rh2 31.2(4) . . . . ?
C11 C9 P1 C1 170.6(3) . . . . ?
C10 C9 P1 C1 -67.9(4) . . . . ?
C11 C9 P1 C12 61.7(4) . . . . ?
C10 C9 P1 C12 -176.7(4) . . . . ?
C11 C9 P1 Rh2 -70.9(4) . . . . ?
C10 C9 P1 Rh2 50.6(4) . . . . ?
C13 C12 P1 C1 62.2(4) . . . . ?
C14 C12 P1 C1 -63.7(4) . . . . ?
C13 C12 P1 C9 168.9(3) . . . . ?
C14 C12 P1 C9 43.0(4) . . . . ?
C13 C12 P1 Rh2 -60.4(4) . . . . ?
C14 C12 P1 Rh2 173.7(3) . . . . ?
C7 C6 P2 C3 172.6(4) . . . . ?
C8 C6 P2 C3 45.5(4) . . . . ?
C7 C6 P2 C2 65.5(4) . . . . ?
C8 C6 P2 C2 -61.6(4) . . . . ?
C7 C6 P2 Rh2 -55.7(4) . . . . ?
C8 C6 P2 Rh2 177.2(3) . . . . ?
C5 C3 P2 C6 -176.2(4) . . . . ?
C4 C3 P2 C6 62.6(4) . . . . ?
C5 C3 P2 C2 -67.6(4) . . . . ?
C4 C3 P2 C2 171.2(4) . . . . ?
C5 C3 P2 Rh2 53.7(4) . . . . ?
C4 C3 P2 Rh2 -67.5(4) . . . . ?
C1 C2 P2 C6 -99.8(4) . . . . ?
C1 C2 P2 C3 153.3(4) . . . . ?
C1 C2 P2 Rh2 25.7(4) . . . . ?
C18 C17 P3 C28 154.5(3) . . . . ?
C18 C17 P3 C25 -97.3(4) . . . . ?
C18 C17 P3 Rh1 30.6(4) . . . . ?
C29 C28 P3 C17 -72.1(4) . . . . ?
C30 C28 P3 C17 164.7(4) . . . . ?
C29 C28 P3 C25 178.9(4) . . . . ?
C30 C28 P3 C25 55.8(4) . . . . ?
C29 C28 P3 Rh1 46.9(4) . . . . ?
C30 C28 P3 Rh1 -76.2(4) . . . . ?
C26 C25 P3 C17 65.9(4) . . . . ?
C27 C25 P3 C17 -60.0(4) . . . . ?
C26 C25 P3 C28 173.7(3) . . . . ?
C27 C25 P3 C28 47.9(4) . . . . ?
C26 C25 P3 Rh1 -55.8(4) . . . . ?
C27 C25 P3 Rh1 178.3(3) . . . . ?
C17 C18 P4 C19 -97.8(4) . . . . ?
C17 C18 P4 C22 154.8(4) . . . . ?
C17 C18 P4 Rh1 30.0(4) . . . . ?
C20 C19 P4 C18 68.6(4) . . . . ?
C21 C19 P4 C18 -57.8(4) . . . . ?
C20 C19 P4 C22 176.7(4) . . . . ?
C21 C19 P4 C22 50.2(4) . . . . ?
C20 C19 P4 Rh1 -53.2(4) . . . . ?
C21 C19 P4 Rh1 -179.6(3) . . . . ?
C23 C22 P4 C18 -71.0(4) . . . . ?
C24 C22 P4 C18 166.9(4) . . . . ?
C23 C22 P4 C19 -179.6(4) . . . . ?
C24 C22 P4 C19 58.3(4) . . . . ?
C23 C22 P4 Rh1 49.0(4) . . . . ?
C24 C22 P4 Rh1 -73.2(4) . . . . ?
O1 C15 Rh1 C16 174.4(6) . . . . ?
Rh2 C15 Rh1 C16 -7.97(19) . . . . ?
O1 C15 Rh1 P3 -73.0(7) . . . . ?
Rh2 C15 Rh1 P3 104.7(3) . . . . ?
O1 C15 Rh1 P4 20.0(6) . . . . ?
Rh2 C15 Rh1 P4 -162.35(10) . . . . ?
O1 C15 Rh1 Rh2 -177.7(7) . . . . ?
O2 C16 Rh1 C15 -172.4(6) . . . . ?
Rh2 C16 Rh1 C15 8.2(2) . . . . ?
O2 C16 Rh1 P3 34.5(6) . . . . ?
Rh2 C16 Rh1 P3 -144.82(12) . . . . ?
O2 C16 Rh1 P4 -54.6(7) . . . . ?
Rh2 C16 Rh1 P4 126.0(2) . . . . ?
O2 C16 Rh1 Rh2 179.4(7) . . . . ?
C17 P3 Rh1 C15 86.1(3) . . . . ?
C28 P3 Rh1 C15 -29.8(4) . . . . ?
C25 P3 Rh1 C15 -154.4(3) . . . . ?
C17 P3 Rh1 C16 -160.3(2) . . . . ?
C28 P3 Rh1 C16 83.9(2) . . . . ?
C25 P3 Rh1 C16 -40.8(2) . . . . ?
C17 P3 Rh1 P4 -9.44(18) . . . . ?
C28 P3 Rh1 P4 -125.28(19) . . . . ?
C25 P3 Rh1 P4 110.08(18) . . . . ?
C17 P3 Rh1 Rh2 165.13(17) . . . . ?
C28 P3 Rh1 Rh2 49.3(2) . . . . ?
C25 P3 Rh1 Rh2 -75.35(18) . . . . ?
C18 P4 Rh1 C15 -159.6(2) . . . . ?
C19 P4 Rh1 C15 -40.2(2) . . . . ?
C22 P4 Rh1 C15 83.5(2) . . . . ?
C18 P4 Rh1 C16 82.2(4) . . . . ?
C19 P4 Rh1 C16 -158.5(3) . . . . ?
C22 P4 Rh1 C16 -34.8(4) . . . . ?
C18 P4 Rh1 P3 -8.93(19) . . . . ?
C19 P4 Rh1 P3 110.40(19) . . . . ?
C22 P4 Rh1 P3 -125.92(19) . . . . ?
C18 P4 Rh1 Rh2 177.85(18) . . . . ?
C19 P4 Rh1 Rh2 -62.8(2) . . . . ?
C22 P4 Rh1 Rh2 60.9(2) . . . . ?
O2 C16 Rh2 C15 172.8(7) . . . . ?
Rh1 C16 Rh2 C15 -7.90(19) . . . . ?
O2 C16 Rh2 P1 -76.2(8) . . . . ?
Rh1 C16 Rh2 P1 103.1(3) . . . . ?
O2 C16 Rh2 P2 14.2(7) . . . . ?
Rh1 C16 Rh2 P2 -166.50(12) . . . . ?
O2 C16 Rh2 Rh1 -179(100) . . . . ?
O1 C15 Rh2 C16 -173.9(5) . . . . ?
Rh1 C15 Rh2 C16 8.1(2) . . . . ?
O1 C15 Rh2 P1 34.3(5) . . . . ?
Rh1 C15 Rh2 P1 -143.69(11) . . . . ?
O1 C15 Rh2 P2 -57.0(7) . . . . ?
Rh1 C15 Rh2 P2 125.0(3) . . . . ?
O1 C15 Rh2 Rh1 178.0(6) . . . . ?
C1 P1 Rh2 C16 80.8(3) . . . . ?
C9 P1 Rh2 C16 -34.3(4) . . . . ?
C12 P1 Rh2 C16 -158.2(3) . . . . ?
C1 P1 Rh2 C15 -167.5(2) . . . . ?
C9 P1 Rh2 C15 77.4(2) . . . . ?
C12 P1 Rh2 C15 -46.6(2) . . . . ?
C1 P1 Rh2 P2 -11.66(17) . . . . ?
C9 P1 Rh2 P2 -126.75(19) . . . . ?
C12 P1 Rh2 P2 109.29(19) . . . . ?
C1 P1 Rh2 Rh1 157.32(16) . . . . ?
C9 P1 Rh2 Rh1 42.22(19) . . . . ?
C12 P1 Rh2 Rh1 -81.73(19) . . . . ?
C6 P2 Rh2 C16 -36.4(2) . . . . ?
C3 P2 Rh2 C16 87.1(2) . . . . ?
C2 P2 Rh2 C16 -155.1(2) . . . . ?
C6 P2 Rh2 C15 -153.9(4) . . . . ?
C3 P2 Rh2 C15 -30.4(4) . . . . ?
C2 P2 Rh2 C15 87.5(4) . . . . ?
C6 P2 Rh2 P1 113.20(19) . . . . ?
C3 P2 Rh2 P1 -123.3(2) . . . . ?
C2 P2 Rh2 P1 -5.45(18) . . . . ?
C6 P2 Rh2 Rh1 -53.2(2) . . . . ?
C3 P2 Rh2 Rh1 70.4(2) . . . . ?
C2 P2 Rh2 Rh1 -171.81(17) . . . . ?
C15 Rh1 Rh2 C16 -169.4(3) . . . . ?
P3 Rh1 Rh2 C16 49.35(19) . . . . ?
P4 Rh1 Rh2 C16 -139.6(2) . . . . ?
C16 Rh1 Rh2 C15 169.4(3) . . . . ?
P3 Rh1 Rh2 C15 -141.25(18) . . . . ?
P4 Rh1 Rh2 C15 29.80(18) . . . . ?
C15 Rh1 Rh2 P1 50.68(18) . . . . ?
C16 Rh1 Rh2 P1 -139.91(19) . . . . ?
P3 Rh1 Rh2 P1 -90.57(7) . . . . ?
P4 Rh1 Rh2 P1 80.48(8) . . . . ?
C15 Rh1 Rh2 P2 -147.29(18) . . . . ?
C16 Rh1 Rh2 P2 22.1(2) . . . . ?
P3 Rh1 Rh2 P2 71.46(8) . . . . ?
P4 Rh1 Rh2 P2 -117.49(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.138
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex12_lz282
_database_code_depnum_ccdc_archive 'CCDC 1050061'
_audit_update_record             
;
2015-02-17 deposited with the CCDC.
2015-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H32 F5 O P2 Rh'
_chemical_formula_sum            'C21 H32 F5 O P2 Rh'
_chemical_formula_weight         560.32

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'
F F 0.0171 0.0103 '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           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

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

_cell_length_a                   7.8101(2)
_cell_length_b                   16.5834(4)
_cell_length_c                   18.9331(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2452.18(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    49503
_cell_measurement_theta_min      3.26
_cell_measurement_theta_max      28.29

_exptl_crystal_description       rod
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6789
_exptl_absorpt_correction_T_max  0.8727
_exptl_absorpt_process_details   'Spek, 2003'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'STOE IPDS2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            25730
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         27.50
_reflns_number_total             5630
_reflns_number_gt                5308
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0392P)²+0.9154P] where P=(Fo²+2Fc²)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_number_reflns         5630
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0675
_refine_ls_wR_factor_gt          0.0663
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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
Rh1 Rh 0.26064(3) 0.116508(12) 0.297366(10) 0.02165(6) Uani 1 1 d . . .
P1 P 0.39081(10) 0.07181(4) 0.39680(4) 0.02467(15) Uani 1 1 d . . .
P2 P 0.49474(10) 0.06068(4) 0.23822(4) 0.02337(14) Uani 1 1 d . . .
F1 F 0.0465(2) 0.04159(11) 0.16090(10) 0.0346(4) Uani 1 1 d . . .
F2 F -0.0814(3) 0.10994(14) 0.04083(11) 0.0473(5) Uani 1 1 d . . .
F3 F -0.0292(3) 0.26817(16) 0.01688(11) 0.0568(7) Uani 1 1 d . . .
F4 F 0.1436(3) 0.36231(11) 0.10988(14) 0.0511(6) Uani 1 1 d . . .
F5 F 0.2596(3) 0.29606(10) 0.23324(11) 0.0467(5) Uani 1 1 d . . .
O1 O -0.0231(3) 0.18748(17) 0.38452(12) 0.0433(6) Uani 1 1 d . . .
C1 C 0.6136(4) 0.04108(19) 0.37733(15) 0.0296(6) Uani 1 1 d . . .
H1A H 0.6901 0.0882 0.3832 0.035 Uiso 1 1 calc R . .
H1B H 0.6495 -0.0006 0.4117 0.035 Uiso 1 1 calc R . .
C2 C 0.6338(4) 0.00776(18) 0.30248(16) 0.0299(6) Uani 1 1 d . . .
H2A H 0.6051 -0.0504 0.3025 0.036 Uiso 1 1 calc R . .
H2B H 0.7548 0.0133 0.2876 0.036 Uiso 1 1 calc R . .
C3 C 0.4543(4) -0.01604(18) 0.16928(15) 0.0292(6) Uani 1 1 d . . .
H3 H 0.3897 0.0113 0.1305 0.035 Uiso 1 1 calc R . .
C4 C 0.3396(5) -0.08328(18) 0.19746(19) 0.0366(7) Uani 1 1 d . . .
H4A H 0.3046 -0.1184 0.1584 0.055 Uiso 1 1 calc R . .
H4B H 0.2378 -0.0597 0.2196 0.055 Uiso 1 1 calc R . .
H4C H 0.4027 -0.1150 0.2325 0.055 Uiso 1 1 calc R . .
C5 C 0.6171(5) -0.05014(19) 0.13669(18) 0.0371(7) Uani 1 1 d . . .
H5A H 0.6878 -0.0745 0.1738 0.056 Uiso 1 1 calc R . .
H5B H 0.6813 -0.0066 0.1138 0.056 Uiso 1 1 calc R . .
H5C H 0.5871 -0.0912 0.1016 0.056 Uiso 1 1 calc R . .
C6 C 0.6418(4) 0.13367(17) 0.19544(16) 0.0273(6) Uani 1 1 d . . .
H6 H 0.7523 0.1052 0.1858 0.033 Uiso 1 1 calc R . .
C7 C 0.6790(4) 0.2032(2) 0.24576(17) 0.0340(7) Uani 1 1 d . . .
H7A H 0.7625 0.2397 0.2241 0.051 Uiso 1 1 calc R . .
H7B H 0.7257 0.1819 0.2900 0.051 Uiso 1 1 calc R . .
H7C H 0.5729 0.2326 0.2555 0.051 Uiso 1 1 calc R . .
C8 C 0.5726(4) 0.1649(2) 0.12494(16) 0.0325(7) Uani 1 1 d . . .
H8A H 0.4602 0.1898 0.1324 0.049 Uiso 1 1 calc R . .
H8B H 0.5615 0.1199 0.0917 0.049 Uiso 1 1 calc R . .
H8C H 0.6518 0.2051 0.1056 0.049 Uiso 1 1 calc R . .
C9 C 0.2945(4) -0.01474(19) 0.44427(15) 0.0323(7) Uani 1 1 d . . .
H9 H 0.3584 -0.0223 0.4896 0.039 Uiso 1 1 calc R . .
C10 C 0.3100(6) -0.0928(2) 0.4011(2) 0.0452(9) Uani 1 1 d . . .
H10A H 0.2596 -0.1376 0.4277 0.068 Uiso 1 1 calc R . .
H10B H 0.4311 -0.1042 0.3919 0.068 Uiso 1 1 calc R . .
H10C H 0.2492 -0.0864 0.3562 0.068 Uiso 1 1 calc R . .
C11 C 0.1071(5) 0.0018(2) 0.46216(18) 0.0422(9) Uani 1 1 d . . .
H11A H 0.0414 0.0080 0.4184 0.063 Uiso 1 1 calc R . .
H11B H 0.0988 0.0514 0.4901 0.063 Uiso 1 1 calc R . .
H11C H 0.0608 -0.0434 0.4895 0.063 Uiso 1 1 calc R . .
C12 C 0.4151(5) 0.14873(19) 0.46748(15) 0.0315(7) Uani 1 1 d . . .
H12 H 0.2986 0.1593 0.4873 0.038 Uiso 1 1 calc R . .
C13 C 0.5294(5) 0.1215(2) 0.52861(17) 0.0441(8) Uani 1 1 d . . .
H13A H 0.6478 0.1166 0.5121 0.066 Uiso 1 1 calc R . .
H13B H 0.4897 0.0691 0.5461 0.066 Uiso 1 1 calc R . .
H13C H 0.5238 0.1613 0.5668 0.066 Uiso 1 1 calc R . .
C14 C 0.4806(5) 0.2283(2) 0.43624(17) 0.0358(7) Uani 1 1 d . . .
H14A H 0.4800 0.2700 0.4729 0.054 Uiso 1 1 calc R . .
H14B H 0.4060 0.2448 0.3972 0.054 Uiso 1 1 calc R . .
H14C H 0.5975 0.2209 0.4187 0.054 Uiso 1 1 calc R . .
C15 C 0.0833(4) 0.1607(2) 0.35037(15) 0.0299(6) Uani 1 1 d . . .
C16 C 0.1605(3) 0.16526(16) 0.20319(15) 0.0246(5) Uani 1 1 d . . .
C17 C 0.0754(4) 0.12229(19) 0.15210(14) 0.0262(6) Uani 1 1 d . . .
C18 C 0.0096(4) 0.1548(2) 0.08998(15) 0.0320(7) Uani 1 1 d . . .
C19 C 0.0334(4) 0.2355(2) 0.07702(17) 0.0375(8) Uani 1 1 d . . .
C20 C 0.1184(4) 0.2819(2) 0.12592(19) 0.0386(8) Uani 1 1 d . . .
C21 C 0.1781(4) 0.2459(2) 0.18714(17) 0.0316(7) Uani 1 1 d . . .


_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
Rh1 C15 1.861(3) . ?
Rh1 C16 2.108(3) . ?
Rh1 P1 2.2644(7) . ?
Rh1 P2 2.3354(8) . ?
P1 C1 1.851(3) . ?
P1 C9 1.853(3) . ?
P1 C12 1.858(3) . ?
P2 C3 1.850(3) . ?
P2 C2 1.852(3) . ?
P2 C6 1.855(3) . ?
F1 C17 1.367(4) . ?
F2 C18 1.387(4) . ?
F3 C19 1.353(4) . ?
F4 C20 1.382(4) . ?
F5 C21 1.363(4) . ?
O1 C15 1.143(4) . ?
C1 C2 1.529(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C5 1.523(4) . ?
C3 C4 1.527(4) . ?
C3 H3 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.523(4) . ?
C6 C8 1.530(4) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.527(5) . ?
C9 C10 1.535(4) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.530(4) . ?
C12 C14 1.534(5) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 C17 1.373(4) . ?
C16 C21 1.378(4) . ?
C17 C18 1.392(4) . ?
C18 C19 1.372(5) . ?
C19 C20 1.375(5) . ?
C20 C21 1.384(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
C15 Rh1 C16 91.65(12) . . ?
C15 Rh1 P1 90.84(9) . . ?
C16 Rh1 P1 174.44(8) . . ?
C15 Rh1 P2 175.92(9) . . ?
C16 Rh1 P2 92.12(8) . . ?
P1 Rh1 P2 85.26(3) . . ?
C1 P1 C9 105.37(15) . . ?
C1 P1 C12 103.67(15) . . ?
C9 P1 C12 102.94(14) . . ?
C1 P1 Rh1 110.29(10) . . ?
C9 P1 Rh1 118.34(11) . . ?
C12 P1 Rh1 114.82(10) . . ?
C3 P2 C2 103.76(14) . . ?
C3 P2 C6 104.27(14) . . ?
C2 P2 C6 103.47(14) . . ?
C3 P2 Rh1 118.50(11) . . ?
C2 P2 Rh1 109.39(10) . . ?
C6 P2 Rh1 115.82(9) . . ?
C2 C1 P1 112.4(2) . . ?
C2 C1 H1A 109.1 . . ?
P1 C1 H1A 109.1 . . ?
C2 C1 H1B 109.1 . . ?
P1 C1 H1B 109.1 . . ?
H1A C1 H1B 107.9 . . ?
C1 C2 P2 112.2(2) . . ?
C1 C2 H2A 109.2 . . ?
P2 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
P2 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C5 C3 C4 111.1(3) . . ?
C5 C3 P2 113.5(2) . . ?
C4 C3 P2 110.9(2) . . ?
C5 C3 H3 107.0 . . ?
C4 C3 H3 107.0 . . ?
P2 C3 H3 107.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C8 110.9(2) . . ?
C7 C6 P2 109.8(2) . . ?
C8 C6 P2 112.5(2) . . ?
C7 C6 H6 107.8 . . ?
C8 C6 H6 107.8 . . ?
P2 C6 H6 107.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C9 C10 110.2(3) . . ?
C11 C9 P1 111.0(2) . . ?
C10 C9 P1 111.3(2) . . ?
C11 C9 H9 108.1 . . ?
C10 C9 H9 108.1 . . ?
P1 C9 H9 108.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 110.6(3) . . ?
C13 C12 P1 113.7(2) . . ?
C14 C12 P1 110.3(2) . . ?
C13 C12 H12 107.3 . . ?
C14 C12 H12 107.3 . . ?
P1 C12 H12 107.3 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O1 C15 Rh1 178.2(3) . . ?
C17 C16 C21 113.4(3) . . ?
C17 C16 Rh1 125.2(2) . . ?
C21 C16 Rh1 121.4(2) . . ?
F1 C17 C16 120.1(2) . . ?
F1 C17 C18 114.9(3) . . ?
C16 C17 C18 124.9(3) . . ?
C19 C18 F2 118.2(3) . . ?
C19 C18 C17 118.6(3) . . ?
F2 C18 C17 123.2(3) . . ?
F3 C19 C18 119.5(3) . . ?
F3 C19 C20 121.1(3) . . ?
C18 C19 C20 119.4(3) . . ?
C19 C20 F4 117.4(3) . . ?
C19 C20 C21 119.0(3) . . ?
F4 C20 C21 123.5(3) . . ?
F5 C21 C16 119.8(3) . . ?
F5 C21 C20 115.5(3) . . ?
C16 C21 C20 124.7(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.064

