# 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_rp05
_database_code_depnum_ccdc_archive 'CCDC 1412115'

_audit_update_record             
;
2015-07-10 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_publcif_datablock.id            {5dbd4ce4-bbe0-4500-bc6c-66f12ce8b69a}
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H46 N3 O6 P Rh, C F3 O3 S'
_chemical_formula_sum            'C38 H46 F3 N3 O9 P Rh S'
_chemical_formula_weight         911.72

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

_cell_length_a                   9.6907(5)
_cell_length_b                   13.8415(16)
_cell_length_c                   16.1294(16)
_cell_angle_alpha                71.423(8)
_cell_angle_beta                 88.332(7)
_cell_angle_gamma                76.420(6)
_cell_volume                     1991.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    219
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             940
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5636
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41149
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         32.10
_reflns_number_total             13758
_reflns_number_gt                11322
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_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)+(0.0236P)²+1.5656P] 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         13758
_refine_ls_number_parameters     513
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0840
_refine_ls_wR_factor_gt          0.0754
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_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 0.600569(14) 0.256465(11) 0.244630(9) 0.01231(4) Uani 1 1 d . . .
P1 P 0.50278(5) 0.11363(4) 0.26566(3) 0.01329(9) Uani 1 1 d . . .
O1 O 0.40144(13) 0.35890(10) 0.19647(9) 0.0169(3) Uani 1 1 d . . .
O2 O 0.63716(14) 0.24591(11) 0.11905(9) 0.0179(3) Uani 1 1 d . . .
O3 O -0.25679(17) 0.71450(12) 0.26477(10) 0.0283(3) Uani 1 1 d . . .
O4 O -0.36104(18) 0.83142(14) 0.10023(12) 0.0352(4) Uani 1 1 d . . .
H4 H -0.380(4) 0.845(3) 0.145(2) 0.054(10) Uiso 1 1 d . . .
O5 O 1.05053(16) 0.11953(12) -0.30776(10) 0.0244(3) Uani 1 1 d . . .
H5 H 1.016(3) 0.158(2) -0.360(2) 0.037(8) Uiso 1 1 d . . .
O6 O 0.81986(17) 0.28022(12) -0.35134(10) 0.0272(3) Uani 1 1 d . . .
N1 N 0.27797(17) 0.04914(13) 0.21715(11) 0.0187(3) Uani 1 1 d . . .
N2 N 0.51879(17) -0.06426(13) 0.21821(12) 0.0196(3) Uani 1 1 d . . .
N3 N 0.40799(17) -0.06050(12) 0.35775(11) 0.0184(3) Uani 1 1 d . . .
C1 C -0.0571(2) 0.61454(15) 0.20755(13) 0.0187(4) Uani 1 1 d . . .
H1 H -0.0167 0.5751 0.2648 0.022 Uiso 1 1 calc R . .
C2 C -0.1831(2) 0.69116(15) 0.19735(14) 0.0207(4) Uani 1 1 d . . .
C3 C -0.2422(2) 0.75207(16) 0.11359(15) 0.0237(4) Uani 1 1 d . . .
C4 C -0.1757(2) 0.73078(18) 0.04163(15) 0.0285(5) Uani 1 1 d . . .
H4A H -0.2161 0.7703 -0.0156 0.034 Uiso 1 1 calc R . .
C5 C -0.0513(2) 0.65290(17) 0.05159(14) 0.0238(4) Uani 1 1 d . . .
H5A H -0.0087 0.6393 0.0014 0.029 Uiso 1 1 calc R . .
C6 C 0.0115(2) 0.59447(15) 0.13479(13) 0.0178(4) Uani 1 1 d . . .
C7 C 0.1457(2) 0.51367(14) 0.15128(13) 0.0174(3) Uani 1 1 d . . .
H7 H 0.1804 0.4822 0.2106 0.021 Uiso 1 1 calc R . .
C8 C 0.2244(2) 0.47950(15) 0.09249(13) 0.0204(4) Uani 1 1 d . . .
H8 H 0.1912 0.5083 0.0328 0.024 Uiso 1 1 calc R . .
C9 C 0.36013(19) 0.39950(14) 0.11504(13) 0.0164(3) Uani 1 1 d . . .
C10 C 0.4317(2) 0.37496(16) 0.04472(13) 0.0214(4) Uani 1 1 d . . .
H10 H 0.3863 0.4105 -0.0118 0.026 Uiso 1 1 calc R . .
C11 C 0.5627(2) 0.30383(15) 0.04867(12) 0.0166(3) Uani 1 1 d . . .
C12 C 0.6215(2) 0.29235(16) -0.03412(13) 0.0199(4) Uani 1 1 d . . .
H12 H 0.5694 0.3325 -0.0879 0.024 Uiso 1 1 calc R . .
C13 C 0.7467(2) 0.22661(15) -0.03481(13) 0.0186(4) Uani 1 1 d . . .
H13 H 0.7940 0.1893 0.0209 0.022 Uiso 1 1 calc R . .
C14 C 0.8210(2) 0.20395(15) -0.10887(13) 0.0185(4) Uani 1 1 d . . .
C15 C 0.7744(2) 0.25820(15) -0.19667(13) 0.0181(4) Uani 1 1 d . . .
H15 H 0.6901 0.3129 -0.2103 0.022 Uiso 1 1 calc R . .
C16 C 0.8515(2) 0.23184(15) -0.26341(13) 0.0187(4) Uani 1 1 d . . .
C17 C 0.9746(2) 0.14835(15) -0.24371(13) 0.0193(4) Uani 1 1 d . . .
C18 C 1.0206(2) 0.09533(17) -0.15756(14) 0.0228(4) Uani 1 1 d . . .
H18 H 1.1032 0.0392 -0.1437 0.027 Uiso 1 1 calc R . .
C19 C 0.9456(2) 0.12429(16) -0.09104(14) 0.0226(4) Uani 1 1 d . . .
H19 H 0.9799 0.0890 -0.0320 0.027 Uiso 1 1 calc R . .
C20 C -0.1954(3) 0.65776(18) 0.35140(15) 0.0292(5) Uani 1 1 d . . .
H20A H -0.1862 0.5825 0.3631 0.044 Uiso 1 1 calc R . .
H20B H -0.2567 0.6812 0.3941 0.044 Uiso 1 1 calc R . .
H20C H -0.1013 0.6707 0.3563 0.044 Uiso 1 1 calc R . .
C21 C 0.7139(3) 0.37592(18) -0.37754(15) 0.0318(5) Uani 1 1 d . . .
H21A H 0.6211 0.3621 -0.3593 0.048 Uiso 1 1 calc R . .
H21B H 0.7109 0.4073 -0.4414 0.048 Uiso 1 1 calc R . .
H21C H 0.7365 0.4244 -0.3500 0.048 Uiso 1 1 calc R . .
C22 C 0.32479(19) 0.14530(14) 0.21214(13) 0.0167(3) Uani 1 1 d . . .
H22A H 0.2556 0.1879 0.2408 0.020 Uiso 1 1 calc R . .
H22B H 0.3267 0.1877 0.1499 0.020 Uiso 1 1 calc R . .
C23 C 0.59784(19) 0.01728(15) 0.21368(13) 0.0181(4) Uani 1 1 d . . .
H23A H 0.6114 0.0544 0.1516 0.022 Uiso 1 1 calc R . .
H23B H 0.6930 -0.0171 0.2434 0.022 Uiso 1 1 calc R . .
C24 C 0.4718(2) 0.02063(14) 0.37189(12) 0.0168(3) Uani 1 1 d . . .
H24A H 0.5631 -0.0134 0.4064 0.020 Uiso 1 1 calc R . .
H24B H 0.4074 0.0593 0.4056 0.020 Uiso 1 1 calc R . .
C25 C 0.3753(2) -0.01580(16) 0.17353(14) 0.0212(4) Uani 1 1 d . . .
H25A H 0.3862 0.0282 0.1130 0.025 Uiso 1 1 calc R . .
H25B H 0.3319 -0.0723 0.1697 0.025 Uiso 1 1 calc R . .
C26 C 0.5019(2) -0.12281(15) 0.31099(14) 0.0210(4) Uani 1 1 d . . .
H26A H 0.4638 -0.1839 0.3131 0.025 Uiso 1 1 calc R . .
H26B H 0.5968 -0.1500 0.3419 0.025 Uiso 1 1 calc R . .
C27 C 0.2696(2) -0.01440(16) 0.30926(14) 0.0201(4) Uani 1 1 d . . .
H27A H 0.2081 0.0304 0.3395 0.024 Uiso 1 1 calc R . .
H27B H 0.2238 -0.0717 0.3105 0.024 Uiso 1 1 calc R . .
C28 C 0.7758(2) 0.33461(15) 0.24164(13) 0.0179(4) Uani 1 1 d . . .
C29 C 0.82189(19) 0.22091(15) 0.27938(13) 0.0180(4) Uani 1 1 d . . .
C30 C 0.7490(2) 0.18934(15) 0.35829(13) 0.0189(4) Uani 1 1 d . . .
C31 C 0.6476(2) 0.28097(17) 0.36485(13) 0.0198(4) Uani 1 1 d . . .
C32 C 0.6702(2) 0.37075(15) 0.29373(13) 0.0191(4) Uani 1 1 d . . .
C33 C 0.8314(2) 0.39664(18) 0.15946(15) 0.0278(5) Uani 1 1 d . . .
H33A H 0.7823 0.4709 0.1449 0.042 Uiso 1 1 calc R . .
H33B H 0.8147 0.3710 0.1115 0.042 Uiso 1 1 calc R . .
H33C H 0.9336 0.3887 0.1682 0.042 Uiso 1 1 calc R . .
C34 C 0.9313(2) 0.15330(18) 0.24145(16) 0.0261(4) Uani 1 1 d . . .
H34A H 0.9356 0.0793 0.2731 0.039 Uiso 1 1 calc R . .
H34B H 1.0243 0.1677 0.2469 0.039 Uiso 1 1 calc R . .
H34C H 0.9057 0.1686 0.1795 0.039 Uiso 1 1 calc R . .
C35 C 0.7817(2) 0.08184(17) 0.42531(15) 0.0290(5) Uani 1 1 d . . .
H35A H 0.8032 0.0287 0.3956 0.044 Uiso 1 1 calc R . .
H35B H 0.6993 0.0728 0.4611 0.044 Uiso 1 1 calc R . .
H35C H 0.8639 0.0739 0.4630 0.044 Uiso 1 1 calc R . .
C36 C 0.5540(3) 0.2853(2) 0.43986(15) 0.0328(5) Uani 1 1 d . . .
H36A H 0.5171 0.2220 0.4598 0.049 Uiso 1 1 calc R . .
H36B H 0.4746 0.3474 0.4208 0.049 Uiso 1 1 calc R . .
H36C H 0.6092 0.2894 0.4881 0.049 Uiso 1 1 calc R . .
C37 C 0.5860(3) 0.48180(17) 0.27739(17) 0.0310(5) Uani 1 1 d . . .
H37A H 0.6206 0.5284 0.2260 0.047 Uiso 1 1 calc R . .
H37B H 0.5972 0.5032 0.3287 0.047 Uiso 1 1 calc R . .
H37C H 0.4853 0.4861 0.2668 0.047 Uiso 1 1 calc R . .
C38 C 1.0783(3) 0.35261(19) -0.58434(17) 0.0372(6) Uani 1 1 d . . .
F1 F 0.96496(19) 0.38604(12) -0.64038(11) 0.0514(5) Uani 1 1 d . . .
F2 F 1.0502(3) 0.40314(13) -0.52557(14) 0.0740(7) Uani 1 1 d . . .
F3 F 1.1851(2) 0.38502(17) -0.62864(14) 0.0803(8) Uani 1 1 d . . .
S1 S 1.11971(5) 0.21023(4) -0.53403(3) 0.01882(9) Uani 1 1 d . . .
O7 O 1.25024(16) 0.18686(12) -0.48346(11) 0.0286(3) Uani 1 1 d . . .
O8 O 0.99658(17) 0.19459(14) -0.48391(11) 0.0326(4) Uani 1 1 d . . .
O9 O 1.1291(2) 0.17410(15) -0.60855(12) 0.0410(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
Rh1 O2 2.0910(14) . ?
Rh1 O1 2.1067(13) . ?
Rh1 C29 2.1343(18) . ?
Rh1 C31 2.151(2) . ?
Rh1 C30 2.1757(18) . ?
Rh1 C28 2.2087(18) . ?
Rh1 C32 2.2169(19) . ?
Rh1 P1 2.3141(5) . ?
P1 C22 1.8447(18) . ?
P1 C23 1.8496(19) . ?
P1 C24 1.8518(19) . ?
O1 C9 1.287(2) . ?
O2 C11 1.284(2) . ?
O3 C2 1.366(3) . ?
O3 C20 1.433(3) . ?
O4 C3 1.360(2) . ?
O4 H4 0.81(3) . ?
O5 C17 1.360(2) . ?
O5 H5 0.87(3) . ?
O6 C16 1.370(2) . ?
O6 C21 1.420(3) . ?
N1 C25 1.469(3) . ?
N1 C27 1.477(3) . ?
N1 C22 1.482(2) . ?
N2 C26 1.483(3) . ?
N2 C25 1.488(2) . ?
N2 C23 1.489(3) . ?
N3 C26 1.465(3) . ?
N3 C27 1.470(2) . ?
N3 C24 1.481(2) . ?
C1 C2 1.391(3) . ?
C1 C6 1.404(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.399(3) . ?
C3 C4 1.391(3) . ?
C4 C5 1.389(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.397(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.470(3) . ?
C7 C8 1.334(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.475(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.404(3) . ?
C10 C11 1.401(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.477(3) . ?
C12 C13 1.336(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.458(3) . ?
C13 H13 0.9500 . ?
C14 C19 1.396(3) . ?
C14 C15 1.405(3) . ?
C15 C16 1.388(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.414(3) . ?
C17 C18 1.378(3) . ?
C18 C19 1.390(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
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 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C32 1.407(3) . ?
C28 C29 1.457(3) . ?
C28 C33 1.495(3) . ?
C29 C30 1.431(3) . ?
C29 C34 1.495(3) . ?
C30 C31 1.442(3) . ?
C30 C35 1.502(3) . ?
C31 C32 1.453(3) . ?
C31 C36 1.499(3) . ?
C32 C37 1.504(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 F3 1.324(3) . ?
C38 F2 1.334(3) . ?
C38 F1 1.338(3) . ?
C38 S1 1.825(2) . ?
S1 O9 1.4347(18) . ?
S1 O7 1.4387(16) . ?
S1 O8 1.4415(16) . ?

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
O2 Rh1 O1 88.79(5) . . ?
O2 Rh1 C29 93.17(7) . . ?
O1 Rh1 C29 153.97(7) . . ?
O2 Rh1 C31 156.33(6) . . ?
O1 Rh1 C31 105.81(7) . . ?
C29 Rh1 C31 65.54(8) . . ?
O2 Rh1 C30 127.12(7) . . ?
O1 Rh1 C30 143.72(7) . . ?
C29 Rh1 C30 38.77(7) . . ?
C31 Rh1 C30 38.94(8) . . ?
O2 Rh1 C28 92.76(6) . . ?
O1 Rh1 C28 114.84(6) . . ?
C29 Rh1 C28 39.15(7) . . ?
C31 Rh1 C28 64.35(7) . . ?
C30 Rh1 C28 64.38(7) . . ?
O2 Rh1 C32 123.77(7) . . ?
O1 Rh1 C32 93.19(6) . . ?
C29 Rh1 C32 64.33(7) . . ?
C31 Rh1 C32 38.84(7) . . ?
C30 Rh1 C32 64.22(7) . . ?
C28 Rh1 C32 37.08(7) . . ?
O2 Rh1 P1 84.63(4) . . ?
O1 Rh1 P1 90.15(4) . . ?
C29 Rh1 P1 115.88(5) . . ?
C31 Rh1 P1 113.26(5) . . ?
C30 Rh1 P1 97.49(5) . . ?
C28 Rh1 P1 154.85(5) . . ?
C32 Rh1 P1 151.43(6) . . ?
C22 P1 C23 99.21(9) . . ?
C22 P1 C24 98.76(9) . . ?
C23 P1 C24 98.59(9) . . ?
C22 P1 Rh1 114.59(6) . . ?
C23 P1 Rh1 114.35(6) . . ?
C24 P1 Rh1 126.82(6) . . ?
C9 O1 Rh1 124.93(12) . . ?
C11 O2 Rh1 126.16(12) . . ?
C2 O3 C20 116.69(16) . . ?
C3 O4 H4 111(2) . . ?
C17 O5 H5 113(2) . . ?
C16 O6 C21 117.62(17) . . ?
C25 N1 C27 108.68(15) . . ?
C25 N1 C22 111.52(15) . . ?
C27 N1 C22 110.72(15) . . ?
C26 N2 C25 108.70(16) . . ?
C26 N2 C23 109.80(16) . . ?
C25 N2 C23 110.92(15) . . ?
C26 N3 C27 109.06(16) . . ?
C26 N3 C24 111.72(15) . . ?
C27 N3 C24 111.81(15) . . ?
C2 C1 C6 121.18(18) . . ?
C2 C1 H1 119.4 . . ?
C6 C1 H1 119.4 . . ?
O3 C2 C1 124.64(19) . . ?
O3 C2 C3 115.06(17) . . ?
C1 C2 C3 120.30(19) . . ?
O4 C3 C4 119.16(19) . . ?
O4 C3 C2 122.4(2) . . ?
C4 C3 C2 118.43(18) . . ?
C5 C4 C3 121.4(2) . . ?
C5 C4 H4A 119.3 . . ?
C3 C4 H4A 119.3 . . ?
C4 C5 C6 120.5(2) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C1 118.06(18) . . ?
C5 C6 C7 124.25(18) . . ?
C1 C6 C7 117.68(17) . . ?
C8 C7 C6 127.43(18) . . ?
C8 C7 H7 116.3 . . ?
C6 C7 H7 116.3 . . ?
C7 C8 C9 123.61(18) . . ?
C7 C8 H8 118.2 . . ?
C9 C8 H8 118.2 . . ?
O1 C9 C10 126.32(17) . . ?
O1 C9 C8 117.45(17) . . ?
C10 C9 C8 116.23(17) . . ?
C11 C10 C9 127.19(18) . . ?
C11 C10 H10 116.4 . . ?
C9 C10 H10 116.4 . . ?
O2 C11 C10 125.45(18) . . ?
O2 C11 C12 116.18(17) . . ?
C10 C11 C12 118.38(17) . . ?
C13 C12 C11 121.26(18) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C14 129.29(19) . . ?
C12 C13 H13 115.4 . . ?
C14 C13 H13 115.4 . . ?
C19 C14 C15 118.56(18) . . ?
C19 C14 C13 117.87(18) . . ?
C15 C14 C13 123.57(18) . . ?
C16 C15 C14 119.97(18) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
O6 C16 C15 125.74(18) . . ?
O6 C16 C17 113.80(17) . . ?
C15 C16 C17 120.47(18) . . ?
O5 C17 C18 118.78(18) . . ?
O5 C17 C16 121.68(18) . . ?
C18 C17 C16 119.53(18) . . ?
C17 C18 C19 119.77(19) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C18 C19 C14 121.63(19) . . ?
C18 C19 H19 119.2 . . ?
C14 C19 H19 119.2 . . ?
O3 C20 H20A 109.5 . . ?
O3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O6 C21 H21A 109.5 . . ?
O6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1 C22 P1 111.60(12) . . ?
N1 C22 H22A 109.3 . . ?
P1 C22 H22A 109.3 . . ?
N1 C22 H22B 109.3 . . ?
P1 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
N2 C23 P1 111.86(13) . . ?
N2 C23 H23A 109.2 . . ?
P1 C23 H23A 109.2 . . ?
N2 C23 H23B 109.2 . . ?
P1 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N3 C24 P1 110.46(13) . . ?
N3 C24 H24A 109.6 . . ?
P1 C24 H24A 109.6 . . ?
N3 C24 H24B 109.6 . . ?
P1 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
N1 C25 N2 114.33(16) . . ?
N1 C25 H25A 108.7 . . ?
N2 C25 H25A 108.7 . . ?
N1 C25 H25B 108.7 . . ?
N2 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
N3 C26 N2 114.24(15) . . ?
N3 C26 H26A 108.7 . . ?
N2 C26 H26A 108.7 . . ?
N3 C26 H26B 108.7 . . ?
N2 C26 H26B 108.7 . . ?
H26A C26 H26B 107.6 . . ?
N3 C27 N1 114.03(15) . . ?
N3 C27 H27A 108.7 . . ?
N1 C27 H27A 108.7 . . ?
N3 C27 H27B 108.7 . . ?
N1 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C32 C28 C29 108.01(17) . . ?
C32 C28 C33 128.42(19) . . ?
C29 C28 C33 123.52(19) . . ?
C32 C28 Rh1 71.77(11) . . ?
C29 C28 Rh1 67.66(10) . . ?
C33 C28 Rh1 124.09(14) . . ?
C30 C29 C28 107.97(17) . . ?
C30 C29 C34 127.91(18) . . ?
C28 C29 C34 124.08(18) . . ?
C30 C29 Rh1 72.18(10) . . ?
C28 C29 Rh1 73.18(10) . . ?
C34 C29 Rh1 122.31(14) . . ?
C29 C30 C31 107.65(16) . . ?
C29 C30 C35 125.63(19) . . ?
C31 C30 C35 126.54(19) . . ?
C29 C30 Rh1 69.05(10) . . ?
C31 C30 Rh1 69.60(11) . . ?
C35 C30 Rh1 130.48(14) . . ?
C30 C31 C32 107.50(17) . . ?
C30 C31 C36 125.82(19) . . ?
C32 C31 C36 125.9(2) . . ?
C30 C31 Rh1 71.47(11) . . ?
C32 C31 Rh1 73.04(11) . . ?
C36 C31 Rh1 128.79(15) . . ?
C28 C32 C31 108.51(17) . . ?
C28 C32 C37 127.00(19) . . ?
C31 C32 C37 124.38(19) . . ?
C28 C32 Rh1 71.14(11) . . ?
C31 C32 Rh1 68.12(11) . . ?
C37 C32 Rh1 123.58(14) . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
F3 C38 F2 106.2(2) . . ?
F3 C38 F1 107.3(2) . . ?
F2 C38 F1 107.2(2) . . ?
F3 C38 S1 112.0(2) . . ?
F2 C38 S1 112.60(18) . . ?
F1 C38 S1 111.21(17) . . ?
O9 S1 O7 116.06(11) . . ?
O9 S1 O8 113.93(12) . . ?
O7 S1 O8 115.46(10) . . ?
O9 S1 C38 102.59(12) . . ?
O7 S1 C38 103.99(10) . . ?
O8 S1 C38 102.14(13) . . ?

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
O2 Rh1 P1 C22 -75.60(8) . . . . ?
O1 Rh1 P1 C22 13.17(8) . . . . ?
C29 Rh1 P1 C22 -166.52(9) . . . . ?
C31 Rh1 P1 C22 120.49(9) . . . . ?
C30 Rh1 P1 C22 157.60(9) . . . . ?
C28 Rh1 P1 C22 -160.65(14) . . . . ?
C32 Rh1 P1 C22 110.12(13) . . . . ?
O2 Rh1 P1 C23 37.99(8) . . . . ?
O1 Rh1 P1 C23 126.76(8) . . . . ?
C29 Rh1 P1 C23 -52.93(9) . . . . ?
C31 Rh1 P1 C23 -125.92(9) . . . . ?
C30 Rh1 P1 C23 -88.81(9) . . . . ?
C28 Rh1 P1 C23 -47.06(15) . . . . ?
C32 Rh1 P1 C23 -136.29(12) . . . . ?
O2 Rh1 P1 C24 160.92(8) . . . . ?
O1 Rh1 P1 C24 -110.31(9) . . . . ?
C29 Rh1 P1 C24 70.00(10) . . . . ?
C31 Rh1 P1 C24 -3.00(10) . . . . ?
C30 Rh1 P1 C24 34.12(10) . . . . ?
C28 Rh1 P1 C24 75.87(15) . . . . ?
C32 Rh1 P1 C24 -13.36(14) . . . . ?
O2 Rh1 O1 C9 -9.88(15) . . . . ?
C29 Rh1 O1 C9 84.9(2) . . . . ?
C31 Rh1 O1 C9 151.22(15) . . . . ?
C30 Rh1 O1 C9 162.55(14) . . . . ?
C28 Rh1 O1 C9 82.60(16) . . . . ?
C32 Rh1 O1 C9 113.88(15) . . . . ?
P1 Rh1 O1 C9 -94.51(14) . . . . ?
O1 Rh1 O2 C11 11.03(15) . . . . ?
C29 Rh1 O2 C11 -143.00(15) . . . . ?
C31 Rh1 O2 C11 -118.1(2) . . . . ?
C30 Rh1 O2 C11 -163.37(14) . . . . ?
C28 Rh1 O2 C11 -103.79(15) . . . . ?
C32 Rh1 O2 C11 -82.00(16) . . . . ?
P1 Rh1 O2 C11 101.29(15) . . . . ?
C20 O3 C2 C1 2.3(3) . . . . ?
C20 O3 C2 C3 -176.65(19) . . . . ?
C6 C1 C2 O3 179.29(19) . . . . ?
C6 C1 C2 C3 -1.8(3) . . . . ?
O3 C2 C3 O4 2.5(3) . . . . ?
C1 C2 C3 O4 -176.5(2) . . . . ?
O3 C2 C3 C4 -178.0(2) . . . . ?
C1 C2 C3 C4 2.9(3) . . . . ?
O4 C3 C4 C5 177.8(2) . . . . ?
C2 C3 C4 C5 -1.6(3) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C4 C5 C6 C1 2.0(3) . . . . ?
C4 C5 C6 C7 -177.5(2) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
C2 C1 C6 C7 178.80(18) . . . . ?
C5 C6 C7 C8 -3.5(3) . . . . ?
C1 C6 C7 C8 177.0(2) . . . . ?
C6 C7 C8 C9 178.44(18) . . . . ?
Rh1 O1 C9 C10 7.4(3) . . . . ?
Rh1 O1 C9 C8 -172.75(12) . . . . ?
C7 C8 C9 O1 2.1(3) . . . . ?
C7 C8 C9 C10 -178.0(2) . . . . ?
O1 C9 C10 C11 -1.5(3) . . . . ?
C8 C9 C10 C11 178.62(19) . . . . ?
Rh1 O2 C11 C10 -9.6(3) . . . . ?
Rh1 O2 C11 C12 171.05(12) . . . . ?
C9 C10 C11 O2 2.6(3) . . . . ?
C9 C10 C11 C12 -178.00(19) . . . . ?
O2 C11 C12 C13 -1.3(3) . . . . ?
C10 C11 C12 C13 179.31(19) . . . . ?
C11 C12 C13 C14 179.41(19) . . . . ?
C12 C13 C14 C19 -174.3(2) . . . . ?
C12 C13 C14 C15 6.1(3) . . . . ?
C19 C14 C15 C16 0.3(3) . . . . ?
C13 C14 C15 C16 179.92(18) . . . . ?
C21 O6 C16 C15 11.1(3) . . . . ?
C21 O6 C16 C17 -169.08(19) . . . . ?
C14 C15 C16 O6 -178.17(18) . . . . ?
C14 C15 C16 C17 2.0(3) . . . . ?
O6 C16 C17 O5 -1.2(3) . . . . ?
C15 C16 C17 O5 178.67(18) . . . . ?
O6 C16 C17 C18 177.97(18) . . . . ?
C15 C16 C17 C18 -2.2(3) . . . . ?
O5 C17 C18 C19 179.24(19) . . . . ?
C16 C17 C18 C19 0.1(3) . . . . ?
C17 C18 C19 C14 2.3(3) . . . . ?
C15 C14 C19 C18 -2.4(3) . . . . ?
C13 C14 C19 C18 177.91(19) . . . . ?
C25 N1 C22 P1 -60.39(18) . . . . ?
C27 N1 C22 P1 60.76(17) . . . . ?
C23 P1 C22 N1 49.33(15) . . . . ?
C24 P1 C22 N1 -50.92(15) . . . . ?
Rh1 P1 C22 N1 171.57(11) . . . . ?
C26 N2 C23 P1 -60.76(17) . . . . ?
C25 N2 C23 P1 59.39(19) . . . . ?
C22 P1 C23 N2 -49.27(15) . . . . ?
C24 P1 C23 N2 51.13(15) . . . . ?
Rh1 P1 C23 N2 -171.68(11) . . . . ?
C26 N3 C24 P1 61.41(17) . . . . ?
C27 N3 C24 P1 -61.14(18) . . . . ?
C22 P1 C24 N3 50.42(14) . . . . ?
C23 P1 C24 N3 -50.35(14) . . . . ?
Rh1 P1 C24 N3 -179.70(9) . . . . ?
C27 N1 C25 N2 -54.5(2) . . . . ?
C22 N1 C25 N2 67.8(2) . . . . ?
C26 N2 C25 N1 53.7(2) . . . . ?
C23 N2 C25 N1 -67.1(2) . . . . ?
C27 N3 C26 N2 55.0(2) . . . . ?
C24 N3 C26 N2 -69.1(2) . . . . ?
C25 N2 C26 N3 -53.7(2) . . . . ?
C23 N2 C26 N3 67.8(2) . . . . ?
C26 N3 C27 N1 -55.8(2) . . . . ?
C24 N3 C27 N1 68.3(2) . . . . ?
C25 N1 C27 N3 55.5(2) . . . . ?
C22 N1 C27 N3 -67.4(2) . . . . ?
O2 Rh1 C28 C32 149.21(11) . . . . ?
O1 Rh1 C28 C32 59.27(12) . . . . ?
C29 Rh1 C28 C32 -119.16(16) . . . . ?
C31 Rh1 C28 C32 -37.08(11) . . . . ?
C30 Rh1 C28 C32 -80.47(12) . . . . ?
P1 Rh1 C28 C32 -127.54(13) . . . . ?
O2 Rh1 C28 C29 -91.62(12) . . . . ?
O1 Rh1 C28 C29 178.43(10) . . . . ?
C31 Rh1 C28 C29 82.08(13) . . . . ?
C30 Rh1 C28 C29 38.69(12) . . . . ?
C32 Rh1 C28 C29 119.16(16) . . . . ?
P1 Rh1 C28 C29 -8.4(2) . . . . ?
O2 Rh1 C28 C33 24.67(18) . . . . ?
O1 Rh1 C28 C33 -65.28(19) . . . . ?
C29 Rh1 C28 C33 116.3(2) . . . . ?
C31 Rh1 C28 C33 -161.6(2) . . . . ?
C30 Rh1 C28 C33 155.0(2) . . . . ?
C32 Rh1 C28 C33 -124.5(2) . . . . ?
P1 Rh1 C28 C33 107.91(18) . . . . ?
C32 C28 C29 C30 -3.6(2) . . . . ?
C33 C28 C29 C30 178.68(18) . . . . ?
Rh1 C28 C29 C30 -64.28(12) . . . . ?
C32 C28 C29 C34 178.73(18) . . . . ?
C33 C28 C29 C34 1.0(3) . . . . ?
Rh1 C28 C29 C34 118.02(19) . . . . ?
C32 C28 C29 Rh1 60.71(14) . . . . ?
C33 C28 C29 Rh1 -117.04(19) . . . . ?
O2 Rh1 C29 C30 -153.69(11) . . . . ?
O1 Rh1 C29 C30 112.58(16) . . . . ?
C31 Rh1 C29 C30 37.03(11) . . . . ?
C28 Rh1 C29 C30 115.82(17) . . . . ?
C32 Rh1 C29 C30 80.08(12) . . . . ?
P1 Rh1 C29 C30 -68.12(12) . . . . ?
O2 Rh1 C29 C28 90.49(11) . . . . ?
O1 Rh1 C29 C28 -3.2(2) . . . . ?
C31 Rh1 C29 C28 -78.79(12) . . . . ?
C30 Rh1 C29 C28 -115.82(17) . . . . ?
C32 Rh1 C29 C28 -35.75(11) . . . . ?
P1 Rh1 C29 C28 176.05(9) . . . . ?
O2 Rh1 C29 C34 -29.61(17) . . . . ?
O1 Rh1 C29 C34 -123.34(18) . . . . ?
C31 Rh1 C29 C34 161.11(19) . . . . ?
C30 Rh1 C29 C34 124.1(2) . . . . ?
C28 Rh1 C29 C34 -120.1(2) . . . . ?
C32 Rh1 C29 C34 -155.84(19) . . . . ?
P1 Rh1 C29 C34 55.95(18) . . . . ?
C28 C29 C30 C31 5.8(2) . . . . ?
C34 C29 C30 C31 -176.57(19) . . . . ?
Rh1 C29 C30 C31 -59.10(13) . . . . ?
C28 C29 C30 C35 -169.56(18) . . . . ?
C34 C29 C30 C35 8.0(3) . . . . ?
Rh1 C29 C30 C35 125.50(19) . . . . ?
C28 C29 C30 Rh1 64.93(13) . . . . ?
C34 C29 C30 Rh1 -117.5(2) . . . . ?
O2 Rh1 C30 C29 33.72(14) . . . . ?
O1 Rh1 C30 C29 -136.78(12) . . . . ?
C31 Rh1 C30 C29 -119.27(16) . . . . ?
C28 Rh1 C30 C29 -39.07(11) . . . . ?
C32 Rh1 C30 C29 -80.40(12) . . . . ?
P1 Rh1 C30 C29 122.64(11) . . . . ?
O2 Rh1 C30 C31 152.98(10) . . . . ?
O1 Rh1 C30 C31 -17.51(16) . . . . ?
C29 Rh1 C30 C31 119.27(16) . . . . ?
C28 Rh1 C30 C31 80.19(12) . . . . ?
C32 Rh1 C30 C31 38.86(11) . . . . ?
P1 Rh1 C30 C31 -118.10(10) . . . . ?
O2 Rh1 C30 C35 -85.8(2) . . . . ?
O1 Rh1 C30 C35 103.7(2) . . . . ?
C29 Rh1 C30 C35 -119.6(3) . . . . ?
C31 Rh1 C30 C35 121.2(3) . . . . ?
C28 Rh1 C30 C35 -158.6(2) . . . . ?
C32 Rh1 C30 C35 160.0(2) . . . . ?
P1 Rh1 C30 C35 3.1(2) . . . . ?
C29 C30 C31 C32 -5.9(2) . . . . ?
C35 C30 C31 C32 169.46(18) . . . . ?
Rh1 C30 C31 C32 -64.64(13) . . . . ?
C29 C30 C31 C36 -176.29(19) . . . . ?
C35 C30 C31 C36 -0.9(3) . . . . ?
Rh1 C30 C31 C36 125.0(2) . . . . ?
C29 C30 C31 Rh1 58.75(13) . . . . ?
C35 C30 C31 Rh1 -125.90(19) . . . . ?
O2 Rh1 C31 C30 -64.4(2) . . . . ?
O1 Rh1 C31 C30 169.33(10) . . . . ?
C29 Rh1 C31 C30 -36.88(11) . . . . ?
C28 Rh1 C31 C30 -80.27(12) . . . . ?
C32 Rh1 C31 C30 -115.71(16) . . . . ?
P1 Rh1 C31 C30 72.17(11) . . . . ?
O2 Rh1 C31 C32 51.3(2) . . . . ?
O1 Rh1 C31 C32 -74.96(11) . . . . ?
C29 Rh1 C31 C32 78.83(12) . . . . ?
C30 Rh1 C31 C32 115.71(16) . . . . ?
C28 Rh1 C31 C32 35.44(11) . . . . ?
P1 Rh1 C31 C32 -172.12(9) . . . . ?
O2 Rh1 C31 C36 174.06(17) . . . . ?
O1 Rh1 C31 C36 47.8(2) . . . . ?
C29 Rh1 C31 C36 -158.4(2) . . . . ?
C30 Rh1 C31 C36 -121.5(2) . . . . ?
C28 Rh1 C31 C36 158.2(2) . . . . ?
C32 Rh1 C31 C36 122.8(3) . . . . ?
P1 Rh1 C31 C36 -49.3(2) . . . . ?
C29 C28 C32 C31 -0.1(2) . . . . ?
C33 C28 C32 C31 177.5(2) . . . . ?
Rh1 C28 C32 C31 58.02(13) . . . . ?
C29 C28 C32 C37 -176.47(19) . . . . ?
C33 C28 C32 C37 1.1(3) . . . . ?
Rh1 C28 C32 C37 -118.3(2) . . . . ?
C29 C28 C32 Rh1 -58.14(13) . . . . ?
C33 C28 C32 Rh1 119.5(2) . . . . ?
C30 C31 C32 C28 3.7(2) . . . . ?
C36 C31 C32 C28 174.1(2) . . . . ?
Rh1 C31 C32 C28 -59.89(14) . . . . ?
C30 C31 C32 C37 -179.82(19) . . . . ?
C36 C31 C32 C37 -9.4(3) . . . . ?
Rh1 C31 C32 C37 116.6(2) . . . . ?
C30 C31 C32 Rh1 63.60(13) . . . . ?
C36 C31 C32 Rh1 -126.0(2) . . . . ?
O2 Rh1 C32 C28 -37.95(13) . . . . ?
O1 Rh1 C32 C28 -128.62(11) . . . . ?
C29 Rh1 C32 C28 37.71(11) . . . . ?
C31 Rh1 C32 C28 119.91(16) . . . . ?
C30 Rh1 C32 C28 80.95(12) . . . . ?
P1 Rh1 C32 C28 135.19(11) . . . . ?
O2 Rh1 C32 C31 -157.86(10) . . . . ?
O1 Rh1 C32 C31 111.47(11) . . . . ?
C29 Rh1 C32 C31 -82.20(12) . . . . ?
C30 Rh1 C32 C31 -38.96(11) . . . . ?
C28 Rh1 C32 C31 -119.91(16) . . . . ?
P1 Rh1 C32 C31 15.28(18) . . . . ?
O2 Rh1 C32 C37 84.50(19) . . . . ?
O1 Rh1 C32 C37 -6.17(18) . . . . ?
C29 Rh1 C32 C37 160.2(2) . . . . ?
C31 Rh1 C32 C37 -117.6(2) . . . . ?
C30 Rh1 C32 C37 -156.6(2) . . . . ?
C28 Rh1 C32 C37 122.5(2) . . . . ?
P1 Rh1 C32 C37 -102.35(19) . . . . ?
F3 C38 S1 O9 -66.8(2) . . . . ?
F2 C38 S1 O9 173.5(2) . . . . ?
F1 C38 S1 O9 53.1(2) . . . . ?
F3 C38 S1 O7 54.5(2) . . . . ?
F2 C38 S1 O7 -65.2(2) . . . . ?
F1 C38 S1 O7 174.4(2) . . . . ?
F3 C38 S1 O8 174.91(18) . . . . ?
F2 C38 S1 O8 55.2(2) . . . . ?
F1 C38 S1 O8 -65.1(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4 N2 0.81(3) 2.06(4) 2.810(2) 155(3) 1_465
O4 H4 O3 0.81(3) 2.31(3) 2.708(2) 111(3) .
O5 H5 O8 0.87(3) 1.90(3) 2.716(2) 156(3) .
O5 H5 O6 0.87(3) 2.26(3) 2.683(2) 109(2) .

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        32.10
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.976
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.095


loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?
####################################################################### 
# 
# 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_rp07
_database_code_depnum_ccdc_archive 'CCDC 1412116'

_audit_update_record             
;
2015-07-10 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_publcif_datablock.id            {5effa2d5-a7d1-489b-b782-78f2c03d011f}
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H42 N3 O4 P Rh, C F3 O3 S'
_chemical_formula_sum            'C36 H42 F3 N3 O7 P Rh S'
_chemical_formula_weight         851.67

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

_cell_length_a                   10.7522(8)
_cell_length_b                   12.8029(6)
_cell_length_c                   14.1428(16)
_cell_angle_alpha                98.723(7)
_cell_angle_beta                 94.670(7)
_cell_angle_gamma                106.621(6)
_cell_volume                     1827.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    351
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             876
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6794
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26911
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8362
_reflns_number_gt                6774
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_structure_solution    'SIR2011 (M.C. Burla et al, 2012)'
_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)+(0.0282P)²+3.1649P] 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         8362
_refine_ls_number_parameters     506
_refine_ls_number_restraints     31
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0463
_refine_ls_wR_factor_ref         0.1018
_refine_ls_wR_factor_gt          0.0926
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_restrained_S_all      1.136
_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
Rh1 Rh 0.38200(3) 0.26613(2) 0.233677(19) 0.01387(8) Uani 1 1 d . . .
P1 P 0.47262(8) 0.12208(7) 0.22640(6) 0.01401(18) Uani 1 1 d . . .
O1 O 0.5723(2) 0.37419(18) 0.28387(16) 0.0156(5) Uani 1 1 d . . .
O2 O 0.3595(2) 0.24057(18) 0.37451(16) 0.0178(5) Uani 1 1 d . . .
O3 O 1.3479(2) 0.8187(2) 0.43125(18) 0.0288(6) Uani 1 1 d . . .
H3 H 1.3784 0.8383 0.3817 0.043 Uiso 1 1 calc R . .
O4 O -0.0659(3) 0.1378(2) 0.83590(19) 0.0294(6) Uani 1 1 d . . .
H4A H -0.0374 0.1843 0.8874 0.044 Uiso 1 1 calc R . .
N1 N 0.6841(3) 0.0644(2) 0.3002(2) 0.0181(6) Uani 1 1 d . . .
N2 N 0.4648(3) -0.0728(2) 0.2920(2) 0.0186(6) Uani 1 1 d . . .
N3 N 0.5640(3) -0.0443(2) 0.1421(2) 0.0194(6) Uani 1 1 d . . .
C1 C 1.0518(3) 0.6152(3) 0.2883(3) 0.0192(7) Uani 1 1 d . . .
H1 H 1.0189 0.5819 0.2230 0.023 Uiso 1 1 calc R . .
C2 C 1.1777(3) 0.6909(3) 0.3101(3) 0.0198(7) Uani 1 1 d . . .
H2 H 1.2295 0.7076 0.2599 0.024 Uiso 1 1 calc R . .
C3 C 1.2267(3) 0.7414(3) 0.4050(3) 0.0217(8) Uani 1 1 d . . .
C4 C 1.1502(4) 0.7141(3) 0.4780(3) 0.0285(9) Uani 1 1 d . . .
H4B H 1.1831 0.7481 0.5432 0.034 Uiso 1 1 calc R . .
C5 C 1.0270(4) 0.6379(3) 0.4558(3) 0.0254(8) Uani 1 1 d . . .
H5 H 0.9770 0.6193 0.5066 0.030 Uiso 1 1 calc R . .
C6 C 0.9733(3) 0.5872(3) 0.3600(2) 0.0164(7) Uani 1 1 d . . .
C7 C 0.8387(3) 0.5123(3) 0.3348(2) 0.0162(7) Uani 1 1 d . . .
H7 H 0.8103 0.4794 0.2689 0.019 Uiso 1 1 calc R . .
C8 C 0.7530(3) 0.4866(3) 0.3978(2) 0.0169(7) Uani 1 1 d . . .
H8 H 0.7814 0.5207 0.4635 0.020 Uiso 1 1 calc R . .
C9 C 0.6190(3) 0.4106(3) 0.3739(2) 0.0145(7) Uani 1 1 d . . .
C10 C 0.5522(3) 0.3830(3) 0.4531(2) 0.0177(7) Uani 1 1 d . . .
H10 H 0.5953 0.4225 0.5151 0.021 Uiso 1 1 calc R . .
C11 C 0.4304(3) 0.3048(3) 0.4513(2) 0.0154(7) Uani 1 1 d . . .
C12 C 0.3759(3) 0.2930(3) 0.5429(2) 0.0181(7) Uani 1 1 d . . .
H12 H 0.4262 0.3354 0.6018 0.022 Uiso 1 1 calc R . .
C13 C 0.2567(3) 0.2235(3) 0.5444(2) 0.0188(7) Uani 1 1 d . . .
H13 H 0.2140 0.1807 0.4835 0.023 Uiso 1 1 calc R . .
C14 C 0.1820(3) 0.2032(3) 0.6253(2) 0.0179(7) Uani 1 1 d . . .
C15 C 0.2258(4) 0.2576(3) 0.7214(2) 0.0197(7) Uani 1 1 d . . .
H15 H 0.3111 0.3091 0.7377 0.024 Uiso 1 1 calc R . .
C16 C 0.1446(4) 0.2364(3) 0.7932(3) 0.0221(8) Uani 1 1 d . . .
H16 H 0.1749 0.2736 0.8579 0.027 Uiso 1 1 calc R . .
C17 C 0.0197(4) 0.1609(3) 0.7700(3) 0.0213(8) Uani 1 1 d . . .
C18 C -0.0244(4) 0.1056(3) 0.6753(3) 0.0243(8) Uani 1 1 d . . .
H18 H -0.1091 0.0531 0.6595 0.029 Uiso 1 1 calc R . .
C19 C 0.0547(4) 0.1272(3) 0.6047(3) 0.0218(8) Uani 1 1 d . . .
H19 H 0.0228 0.0900 0.5401 0.026 Uiso 1 1 calc R . .
C20 C 0.6368(3) 0.1615(3) 0.2958(2) 0.0177(7) Uani 1 1 d . . .
H20A H 0.6989 0.2155 0.2655 0.021 Uiso 1 1 calc R . .
H20B H 0.6341 0.1981 0.3621 0.021 Uiso 1 1 calc R . .
C21 C 0.3884(3) 0.0069(3) 0.2861(2) 0.0174(7) Uani 1 1 d . . .
H21A H 0.3758 0.0376 0.3519 0.021 Uiso 1 1 calc R . .
H21B H 0.3009 -0.0327 0.2493 0.021 Uiso 1 1 calc R . .
C22 C 0.5013(3) 0.0387(3) 0.1170(2) 0.0193(7) Uani 1 1 d . . .
H22A H 0.4168 0.0003 0.0757 0.023 Uiso 1 1 calc R . .
H22B H 0.5582 0.0882 0.0801 0.023 Uiso 1 1 calc R . .
C23 C 0.5972(3) -0.0161(3) 0.3476(3) 0.0197(7) Uani 1 1 d . . .
H23A H 0.5867 0.0226 0.4112 0.024 Uiso 1 1 calc R . .
H23B H 0.6396 -0.0730 0.3594 0.024 Uiso 1 1 calc R . .
C24 C 0.4805(4) -0.1227(3) 0.1937(3) 0.0217(8) Uani 1 1 d . . .
H24A H 0.5183 -0.1840 0.1986 0.026 Uiso 1 1 calc R . .
H24B H 0.3929 -0.1551 0.1552 0.026 Uiso 1 1 calc R . .
C25 C 0.6924(3) 0.0098(3) 0.2023(3) 0.0209(7) Uani 1 1 d . . .
H25A H 0.7377 -0.0468 0.2078 0.025 Uiso 1 1 calc R . .
H25B H 0.7465 0.0658 0.1691 0.025 Uiso 1 1 calc R . .
C26 C 0.2199(4) 0.3408(3) 0.2276(3) 0.0228(8) Uani 1 1 d . . .
C27 C 0.1760(3) 0.2221(3) 0.1867(2) 0.0192(7) Uani 1 1 d . . .
C28 C 0.2405(4) 0.2057(3) 0.1034(2) 0.0219(8) Uani 1 1 d . . .
C29 C 0.3318(4) 0.3102(3) 0.0977(3) 0.0259(8) Uani 1 1 d . . .
C30 C 0.3152(4) 0.3936(3) 0.1725(3) 0.0267(9) Uani 1 1 d . . .
C31 C 0.1719(4) 0.3898(3) 0.3146(3) 0.0330(10) Uani 1 1 d . . .
H31A H 0.2216 0.4685 0.3338 0.049 Uiso 1 1 calc R . .
H31B H 0.1839 0.3509 0.3675 0.049 Uiso 1 1 calc R . .
H31C H 0.0788 0.3821 0.2995 0.049 Uiso 1 1 calc R . .
C32 C 0.0734(4) 0.1376(3) 0.2229(3) 0.0286(9) Uani 1 1 d . . .
H32A H -0.0116 0.1501 0.2099 0.043 Uiso 1 1 calc R . .
H32B H 0.0954 0.1438 0.2926 0.043 Uiso 1 1 calc R . .
H32C H 0.0689 0.0632 0.1900 0.043 Uiso 1 1 calc R . .
C33 C 0.2102(4) 0.0988(3) 0.0318(3) 0.0269(8) Uani 1 1 d . . .
H33A H 0.1359 0.0928 -0.0159 0.040 Uiso 1 1 calc R . .
H33B H 0.1881 0.0359 0.0657 0.040 Uiso 1 1 calc R . .
H33C H 0.2869 0.0982 -0.0010 0.040 Uiso 1 1 calc R . .
C34 C 0.4163(5) 0.3343(4) 0.0191(3) 0.0492(14) Uani 1 1 d . . .
H34A H 0.4365 0.2670 -0.0084 0.074 Uiso 1 1 calc R . .
H34B H 0.4979 0.3929 0.0461 0.074 Uiso 1 1 calc R . .
H34C H 0.3696 0.3586 -0.0315 0.074 Uiso 1 1 calc R . .
C35 C 0.3949(4) 0.5137(3) 0.1915(3) 0.0387(11) Uani 1 1 d . . .
H35A H 0.3776 0.5508 0.2527 0.058 Uiso 1 1 calc R . .
H35B H 0.3710 0.5491 0.1390 0.058 Uiso 1 1 calc R . .
H35C H 0.4881 0.5197 0.1952 0.058 Uiso 1 1 calc R . .
C36A C -0.2023(12) 0.3671(10) 1.0296(8) 0.051(4) Uani 0.524(16) 1 d PD A 1
F1A F -0.2259(15) 0.3598(10) 0.9345(6) 0.079(4) Uani 0.524(16) 1 d PD A 1
F2A F -0.1334(13) 0.4684(7) 1.0681(5) 0.061(3) Uani 0.524(16) 1 d PD A 1
F3A F -0.3165(8) 0.3446(12) 1.0634(8) 0.107(5) Uani 0.524(16) 1 d PD A 1
C36B C -0.1437(14) 0.3954(9) 1.0238(8) 0.040(4) Uani 0.476(16) 1 d PD A 2
F1B F -0.1574(12) 0.3934(9) 0.9282(5) 0.049(3) Uani 0.476(16) 1 d PD A 2
F2B F -0.0362(16) 0.4806(6) 1.0608(5) 0.081(5) Uani 0.476(16) 1 d PD A 2
F3B F -0.2439(14) 0.4276(12) 1.0561(6) 0.076(5) Uani 0.476(16) 1 d PD A 2
S1 S -0.12923(10) 0.26623(8) 1.05540(7) 0.0252(2) Uani 1 1 d D . .
O5 O -0.0116(3) 0.2733(3) 1.0112(2) 0.0488(9) Uani 1 1 d . A .
O6 O -0.1121(3) 0.2890(2) 1.15905(19) 0.0422(8) Uani 1 1 d . A .
O7 O -0.2376(4) 0.1736(3) 1.0097(3) 0.0822(16) Uani 1 1 d . A .


_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 O2 2.089(2) . ?
Rh1 O1 2.109(2) . ?
Rh1 C27 2.144(3) . ?
Rh1 C29 2.155(4) . ?
Rh1 C28 2.178(3) . ?
Rh1 C26 2.217(4) . ?
Rh1 C30 2.220(4) . ?
Rh1 P1 2.3125(9) . ?
P1 C22 1.841(3) . ?
P1 C20 1.841(3) . ?
P1 C21 1.856(3) . ?
O1 C9 1.293(4) . ?
O2 C11 1.294(4) . ?
O3 C3 1.373(4) . ?
O3 H3 0.8400 . ?
O4 C17 1.367(4) . ?
O4 H4A 0.8400 . ?
N1 C23 1.464(4) . ?
N1 C25 1.476(4) . ?
N1 C20 1.481(4) . ?
N2 C24 1.484(4) . ?
N2 C21 1.489(4) . ?
N2 C23 1.492(4) . ?
N3 C24 1.470(4) . ?
N3 C25 1.481(4) . ?
N3 C22 1.482(4) . ?
C1 C6 1.394(5) . ?
C1 C2 1.399(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.387(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(5) . ?
C4 C5 1.381(5) . ?
C4 H4B 0.9500 . ?
C5 C6 1.408(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.469(4) . ?
C7 C8 1.341(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.469(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.415(4) . ?
C10 C11 1.398(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.476(4) . ?
C12 C13 1.339(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.463(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.405(5) . ?
C14 C19 1.412(5) . ?
C15 C16 1.400(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(5) . ?
C18 C19 1.372(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C30 1.417(5) . ?
C26 C27 1.465(5) . ?
C26 C31 1.492(5) . ?
C27 C28 1.433(5) . ?
C27 C32 1.493(5) . ?
C28 C29 1.434(5) . ?
C28 C33 1.509(5) . ?
C29 C30 1.445(5) . ?
C29 C34 1.504(6) . ?
C30 C35 1.502(5) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36A F2A 1.304(10) . ?
C36A F3A 1.324(10) . ?
C36A F1A 1.331(10) . ?
C36A S1 1.759(10) . ?
C36B F1B 1.344(10) . ?
C36B F2B 1.345(11) . ?
C36B F3B 1.347(10) . ?
C36B S1 1.822(10) . ?
S1 O7 1.427(3) . ?
S1 O6 1.436(3) . ?
S1 O5 1.442(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
O2 Rh1 O1 89.31(9) . . ?
O2 Rh1 C27 94.68(11) . . ?
O1 Rh1 C27 156.17(11) . . ?
O2 Rh1 C29 156.01(13) . . ?
O1 Rh1 C29 104.15(11) . . ?
C27 Rh1 C29 65.16(14) . . ?
O2 Rh1 C28 129.45(12) . . ?
O1 Rh1 C28 141.01(11) . . ?
C27 Rh1 C28 38.72(13) . . ?
C29 Rh1 C28 38.65(13) . . ?
O2 Rh1 C26 92.13(12) . . ?
O1 Rh1 C26 117.29(11) . . ?
C27 Rh1 C26 39.20(12) . . ?
C29 Rh1 C26 64.12(15) . . ?
C28 Rh1 C26 64.41(13) . . ?
O2 Rh1 C30 122.26(13) . . ?
O1 Rh1 C30 93.74(11) . . ?
C27 Rh1 C30 64.35(13) . . ?
C29 Rh1 C30 38.54(14) . . ?
C28 Rh1 C30 64.06(13) . . ?
C26 Rh1 C30 37.25(14) . . ?
O2 Rh1 P1 83.84(7) . . ?
O1 Rh1 P1 87.14(7) . . ?
C27 Rh1 P1 116.63(9) . . ?
C29 Rh1 P1 116.10(11) . . ?
C28 Rh1 P1 99.67(10) . . ?
C26 Rh1 P1 155.26(10) . . ?
C30 Rh1 P1 153.88(11) . . ?
C22 P1 C20 99.22(16) . . ?
C22 P1 C21 98.44(15) . . ?
C20 P1 C21 99.00(16) . . ?
C22 P1 Rh1 127.00(12) . . ?
C20 P1 Rh1 113.49(11) . . ?
C21 P1 Rh1 115.12(11) . . ?
C9 O1 Rh1 124.5(2) . . ?
C11 O2 Rh1 124.8(2) . . ?
C3 O3 H3 109.5 . . ?
C17 O4 H4A 109.5 . . ?
C23 N1 C25 109.1(3) . . ?
C23 N1 C20 111.0(3) . . ?
C25 N1 C20 110.4(3) . . ?
C24 N2 C21 110.1(3) . . ?
C24 N2 C23 108.8(3) . . ?
C21 N2 C23 110.8(3) . . ?
C24 N3 C25 108.9(3) . . ?
C24 N3 C22 111.5(3) . . ?
C25 N3 C22 111.3(3) . . ?
C6 C1 C2 121.8(3) . . ?
C6 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
O3 C3 C2 123.1(3) . . ?
O3 C3 C4 117.7(3) . . ?
C2 C3 C4 119.3(3) . . ?
C5 C4 C3 120.2(3) . . ?
C5 C4 H4B 119.9 . . ?
C3 C4 H4B 119.9 . . ?
C4 C5 C6 121.8(3) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C5 116.9(3) . . ?
C1 C6 C7 120.8(3) . . ?
C5 C6 C7 122.3(3) . . ?
C8 C7 C6 125.1(3) . . ?
C8 C7 H7 117.4 . . ?
C6 C7 H7 117.4 . . ?
C7 C8 C9 125.7(3) . . ?
C7 C8 H8 117.2 . . ?
C9 C8 H8 117.2 . . ?
O1 C9 C10 125.6(3) . . ?
O1 C9 C8 118.3(3) . . ?
C10 C9 C8 116.1(3) . . ?
C11 C10 C9 127.8(3) . . ?
C11 C10 H10 116.1 . . ?
C9 C10 H10 116.1 . . ?
O2 C11 C10 125.1(3) . . ?
O2 C11 C12 116.1(3) . . ?
C10 C11 C12 118.8(3) . . ?
C13 C12 C11 121.1(3) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 130.0(3) . . ?
C12 C13 H13 115.0 . . ?
C14 C13 H13 115.0 . . ?
C15 C14 C19 117.6(3) . . ?
C15 C14 C13 124.6(3) . . ?
C19 C14 C13 117.7(3) . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
O4 C17 C16 123.4(3) . . ?
O4 C17 C18 116.6(3) . . ?
C16 C17 C18 119.9(3) . . ?
C19 C18 C17 119.8(3) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C14 121.9(3) . . ?
C18 C19 H19 119.0 . . ?
C14 C19 H19 119.0 . . ?
N1 C20 P1 111.9(2) . . ?
N1 C20 H20A 109.2 . . ?
P1 C20 H20A 109.2 . . ?
N1 C20 H20B 109.2 . . ?
P1 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
N2 C21 P1 111.5(2) . . ?
N2 C21 H21A 109.3 . . ?
P1 C21 H21A 109.3 . . ?
N2 C21 H21B 109.3 . . ?
P1 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
N3 C22 P1 111.0(2) . . ?
N3 C22 H22A 109.4 . . ?
P1 C22 H22A 109.4 . . ?
N3 C22 H22B 109.4 . . ?
P1 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
N1 C23 N2 114.5(3) . . ?
N1 C23 H23A 108.6 . . ?
N2 C23 H23A 108.6 . . ?
N1 C23 H23B 108.6 . . ?
N2 C23 H23B 108.6 . . ?
H23A C23 H23B 107.6 . . ?
N3 C24 N2 114.2(3) . . ?
N3 C24 H24A 108.7 . . ?
N2 C24 H24A 108.7 . . ?
N3 C24 H24B 108.7 . . ?
N2 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
N1 C25 N3 114.2(3) . . ?
N1 C25 H25A 108.7 . . ?
N3 C25 H25A 108.7 . . ?
N1 C25 H25B 108.7 . . ?
N3 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C30 C26 C27 107.5(3) . . ?
C30 C26 C31 129.1(3) . . ?
C27 C26 C31 123.3(3) . . ?
C30 C26 Rh1 71.5(2) . . ?
C27 C26 Rh1 67.70(19) . . ?
C31 C26 Rh1 123.9(3) . . ?
C28 C27 C26 107.9(3) . . ?
C28 C27 C32 127.5(3) . . ?
C26 C27 C32 124.4(3) . . ?
C28 C27 Rh1 71.9(2) . . ?
C26 C27 Rh1 73.1(2) . . ?
C32 C27 Rh1 124.6(2) . . ?
C27 C28 C29 107.7(3) . . ?
C27 C28 C33 125.5(3) . . ?
C29 C28 C33 126.7(3) . . ?
C27 C28 Rh1 69.35(19) . . ?
C29 C28 Rh1 69.8(2) . . ?
C33 C28 Rh1 129.2(3) . . ?
C28 C29 C30 108.2(3) . . ?
C28 C29 C34 126.5(4) . . ?
C30 C29 C34 124.6(4) . . ?
C28 C29 Rh1 71.5(2) . . ?
C30 C29 Rh1 73.2(2) . . ?
C34 C29 Rh1 128.1(3) . . ?
C26 C30 C29 108.4(3) . . ?
C26 C30 C35 126.9(4) . . ?
C29 C30 C35 124.5(4) . . ?
C26 C30 Rh1 71.3(2) . . ?
C29 C30 Rh1 68.3(2) . . ?
C35 C30 Rh1 122.5(3) . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
F2A C36A F3A 108.6(9) . . ?
F2A C36A F1A 108.9(9) . . ?
F3A C36A F1A 107.7(8) . . ?
F2A C36A S1 114.0(7) . . ?
F3A C36A S1 107.3(8) . . ?
F1A C36A S1 110.2(8) . . ?
F1B C36B F2B 105.8(8) . . ?
F1B C36B F3B 105.6(8) . . ?
F2B C36B F3B 104.8(9) . . ?
F1B C36B S1 113.3(8) . . ?
F2B C36B S1 111.1(7) . . ?
F3B C36B S1 115.4(8) . . ?
O7 S1 O6 116.2(2) . . ?
O7 S1 O5 113.3(2) . . ?
O6 S1 O5 115.83(19) . . ?
O7 S1 C36A 95.3(4) . . ?
O6 S1 C36A 100.9(4) . . ?
O5 S1 C36A 112.5(5) . . ?
O7 S1 C36B 111.7(5) . . ?
O6 S1 C36B 103.2(4) . . ?
O5 S1 C36B 93.5(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
O2 Rh1 P1 C22 163.90(16) . . . . ?
O1 Rh1 P1 C22 -106.49(16) . . . . ?
C27 Rh1 P1 C22 71.75(18) . . . . ?
C29 Rh1 P1 C22 -2.13(18) . . . . ?
C28 Rh1 P1 C22 34.86(18) . . . . ?
C26 Rh1 P1 C22 82.2(3) . . . . ?
C30 Rh1 P1 C22 -13.8(3) . . . . ?
O2 Rh1 P1 C20 -72.98(14) . . . . ?
O1 Rh1 P1 C20 16.63(14) . . . . ?
C27 Rh1 P1 C20 -165.14(16) . . . . ?
C29 Rh1 P1 C20 120.99(16) . . . . ?
C28 Rh1 P1 C20 157.98(16) . . . . ?
C26 Rh1 P1 C20 -154.6(3) . . . . ?
C30 Rh1 P1 C20 109.3(3) . . . . ?
O2 Rh1 P1 C21 40.11(14) . . . . ?
O1 Rh1 P1 C21 129.72(14) . . . . ?
C27 Rh1 P1 C21 -52.05(16) . . . . ?
C29 Rh1 P1 C21 -125.92(16) . . . . ?
C28 Rh1 P1 C21 -88.93(16) . . . . ?
C26 Rh1 P1 C21 -41.6(3) . . . . ?
C30 Rh1 P1 C21 -137.6(3) . . . . ?
O2 Rh1 O1 C9 -10.4(2) . . . . ?
C27 Rh1 O1 C9 89.6(4) . . . . ?
C29 Rh1 O1 C9 149.5(3) . . . . ?
C28 Rh1 O1 C9 163.9(3) . . . . ?
C26 Rh1 O1 C9 81.6(3) . . . . ?
C30 Rh1 O1 C9 111.9(3) . . . . ?
P1 Rh1 O1 C9 -94.3(2) . . . . ?
O1 Rh1 O2 C11 18.5(3) . . . . ?
C27 Rh1 O2 C11 -138.0(3) . . . . ?
C29 Rh1 O2 C11 -106.6(3) . . . . ?
C28 Rh1 O2 C11 -156.9(2) . . . . ?
C26 Rh1 O2 C11 -98.8(3) . . . . ?
C30 Rh1 O2 C11 -75.5(3) . . . . ?
P1 Rh1 O2 C11 105.7(2) . . . . ?
C6 C1 C2 C3 -0.9(5) . . . . ?
C1 C2 C3 O3 -178.1(3) . . . . ?
C1 C2 C3 C4 1.3(5) . . . . ?
O3 C3 C4 C5 179.2(4) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C2 C1 C6 C5 -0.6(5) . . . . ?
C2 C1 C6 C7 176.6(3) . . . . ?
C4 C5 C6 C1 1.7(6) . . . . ?
C4 C5 C6 C7 -175.5(4) . . . . ?
C1 C6 C7 C8 -175.1(3) . . . . ?
C5 C6 C7 C8 1.9(5) . . . . ?
C6 C7 C8 C9 -179.0(3) . . . . ?
Rh1 O1 C9 C10 1.1(5) . . . . ?
Rh1 O1 C9 C8 -179.2(2) . . . . ?
C7 C8 C9 O1 -8.6(5) . . . . ?
C7 C8 C9 C10 171.1(3) . . . . ?
O1 C9 C10 C11 6.7(6) . . . . ?
C8 C9 C10 C11 -172.9(3) . . . . ?
Rh1 O2 C11 C10 -17.8(5) . . . . ?
Rh1 O2 C11 C12 162.1(2) . . . . ?
C9 C10 C11 O2 2.6(6) . . . . ?
C9 C10 C11 C12 -177.2(3) . . . . ?
O2 C11 C12 C13 -3.4(5) . . . . ?
C10 C11 C12 C13 176.5(3) . . . . ?
C11 C12 C13 C14 -176.6(3) . . . . ?
C12 C13 C14 C15 0.4(6) . . . . ?
C12 C13 C14 C19 177.5(4) . . . . ?
C19 C14 C15 C16 -0.1(5) . . . . ?
C13 C14 C15 C16 176.9(3) . . . . ?
C14 C15 C16 C17 0.2(5) . . . . ?
C15 C16 C17 O4 -178.6(3) . . . . ?
C15 C16 C17 C18 0.4(5) . . . . ?
O4 C17 C18 C19 178.0(3) . . . . ?
C16 C17 C18 C19 -1.1(6) . . . . ?
C17 C18 C19 C14 1.1(6) . . . . ?
C15 C14 C19 C18 -0.5(5) . . . . ?
C13 C14 C19 C18 -177.8(3) . . . . ?
C23 N1 C20 P1 -60.8(3) . . . . ?
C25 N1 C20 P1 60.4(3) . . . . ?
C22 P1 C20 N1 -50.3(3) . . . . ?
C21 P1 C20 N1 49.9(3) . . . . ?
Rh1 P1 C20 N1 172.38(19) . . . . ?
C24 N2 C21 P1 -61.0(3) . . . . ?
C23 N2 C21 P1 59.4(3) . . . . ?
C22 P1 C21 N2 51.4(3) . . . . ?
C20 P1 C21 N2 -49.4(3) . . . . ?
Rh1 P1 C21 N2 -170.75(18) . . . . ?
C24 N3 C22 P1 61.5(3) . . . . ?
C25 N3 C22 P1 -60.4(3) . . . . ?
C20 P1 C22 N3 49.8(3) . . . . ?
C21 P1 C22 N3 -50.8(3) . . . . ?
Rh1 P1 C22 N3 178.67(16) . . . . ?
C25 N1 C23 N2 -54.0(4) . . . . ?
C20 N1 C23 N2 68.0(3) . . . . ?
C24 N2 C23 N1 53.6(4) . . . . ?
C21 N2 C23 N1 -67.5(4) . . . . ?
C25 N3 C24 N2 54.8(4) . . . . ?
C22 N3 C24 N2 -68.4(4) . . . . ?
C21 N2 C24 N3 67.7(4) . . . . ?
C23 N2 C24 N3 -53.9(4) . . . . ?
C23 N1 C25 N3 54.7(4) . . . . ?
C20 N1 C25 N3 -67.7(3) . . . . ?
C24 N3 C25 N1 -55.1(4) . . . . ?
C22 N3 C25 N1 68.3(4) . . . . ?
O2 Rh1 C26 C30 146.5(2) . . . . ?
O1 Rh1 C26 C30 56.1(2) . . . . ?
C27 Rh1 C26 C30 -118.7(3) . . . . ?
C29 Rh1 C26 C30 -37.0(2) . . . . ?
C28 Rh1 C26 C30 -80.1(2) . . . . ?
P1 Rh1 C26 C30 -133.7(2) . . . . ?
O2 Rh1 C26 C27 -94.8(2) . . . . ?
O1 Rh1 C26 C27 174.89(18) . . . . ?
C29 Rh1 C26 C27 81.7(2) . . . . ?
C28 Rh1 C26 C27 38.6(2) . . . . ?
C30 Rh1 C26 C27 118.7(3) . . . . ?
P1 Rh1 C26 C27 -14.9(4) . . . . ?
O2 Rh1 C26 C31 21.2(3) . . . . ?
O1 Rh1 C26 C31 -69.1(3) . . . . ?
C27 Rh1 C26 C31 116.0(4) . . . . ?
C29 Rh1 C26 C31 -162.3(4) . . . . ?
C28 Rh1 C26 C31 154.6(4) . . . . ?
C30 Rh1 C26 C31 -125.2(4) . . . . ?
P1 Rh1 C26 C31 101.1(3) . . . . ?
C30 C26 C27 C28 -3.3(4) . . . . ?
C31 C26 C27 C28 179.1(3) . . . . ?
Rh1 C26 C27 C28 -64.0(2) . . . . ?
C30 C26 C27 C32 -178.5(3) . . . . ?
C31 C26 C27 C32 3.9(5) . . . . ?
Rh1 C26 C27 C32 120.8(3) . . . . ?
C30 C26 C27 Rh1 60.7(2) . . . . ?
C31 C26 C27 Rh1 -116.9(3) . . . . ?
O2 Rh1 C27 C28 -156.49(19) . . . . ?
O1 Rh1 C27 C28 104.6(3) . . . . ?
C29 Rh1 C27 C28 37.0(2) . . . . ?
C26 Rh1 C27 C28 115.9(3) . . . . ?
C30 Rh1 C27 C28 79.8(2) . . . . ?
P1 Rh1 C27 C28 -71.0(2) . . . . ?
O2 Rh1 C27 C26 87.6(2) . . . . ?
O1 Rh1 C27 C26 -11.3(4) . . . . ?
C29 Rh1 C27 C26 -78.9(2) . . . . ?
C28 Rh1 C27 C26 -115.9(3) . . . . ?
C30 Rh1 C27 C26 -36.1(2) . . . . ?
P1 Rh1 C27 C26 173.08(17) . . . . ?
O2 Rh1 C27 C32 -32.9(3) . . . . ?
O1 Rh1 C27 C32 -131.8(3) . . . . ?
C29 Rh1 C27 C32 160.6(3) . . . . ?
C28 Rh1 C27 C32 123.6(4) . . . . ?
C26 Rh1 C27 C32 -120.5(4) . . . . ?
C30 Rh1 C27 C32 -156.6(3) . . . . ?
P1 Rh1 C27 C32 52.6(3) . . . . ?
C26 C27 C28 C29 5.2(4) . . . . ?
C32 C27 C28 C29 -179.7(3) . . . . ?
Rh1 C27 C28 C29 -59.5(2) . . . . ?
C26 C27 C28 C33 -171.1(3) . . . . ?
C32 C27 C28 C33 3.9(6) . . . . ?
Rh1 C27 C28 C33 124.1(4) . . . . ?
C26 C27 C28 Rh1 64.8(2) . . . . ?
C32 C27 C28 Rh1 -120.2(4) . . . . ?
O2 Rh1 C28 C27 31.0(2) . . . . ?
O1 Rh1 C28 C27 -141.58(19) . . . . ?
C29 Rh1 C28 C27 -119.0(3) . . . . ?
C26 Rh1 C28 C27 -39.1(2) . . . . ?
C30 Rh1 C28 C27 -80.6(2) . . . . ?
P1 Rh1 C28 C27 120.95(18) . . . . ?
O2 Rh1 C28 C29 149.9(2) . . . . ?
O1 Rh1 C28 C29 -22.6(3) . . . . ?
C27 Rh1 C28 C29 119.0(3) . . . . ?
C26 Rh1 C28 C29 79.9(2) . . . . ?
C30 Rh1 C28 C29 38.3(2) . . . . ?
P1 Rh1 C28 C29 -120.1(2) . . . . ?
O2 Rh1 C28 C33 -88.6(4) . . . . ?
O1 Rh1 C28 C33 98.8(3) . . . . ?
C27 Rh1 C28 C33 -119.6(4) . . . . ?
C29 Rh1 C28 C33 121.4(4) . . . . ?
C26 Rh1 C28 C33 -158.7(4) . . . . ?
C30 Rh1 C28 C33 159.7(4) . . . . ?
P1 Rh1 C28 C33 1.3(3) . . . . ?
C27 C28 C29 C30 -5.2(4) . . . . ?
C33 C28 C29 C30 171.1(3) . . . . ?
Rh1 C28 C29 C30 -64.4(3) . . . . ?
C27 C28 C29 C34 -176.6(4) . . . . ?
C33 C28 C29 C34 -0.3(6) . . . . ?
Rh1 C28 C29 C34 124.2(4) . . . . ?
C27 C28 C29 Rh1 59.2(2) . . . . ?
C33 C28 C29 Rh1 -124.5(4) . . . . ?
O2 Rh1 C29 C28 -72.1(4) . . . . ?
O1 Rh1 C29 C28 165.6(2) . . . . ?
C27 Rh1 C29 C28 -37.1(2) . . . . ?
C26 Rh1 C29 C28 -80.7(2) . . . . ?
C30 Rh1 C29 C28 -116.5(3) . . . . ?
P1 Rh1 C29 C28 71.8(2) . . . . ?
O2 Rh1 C29 C30 44.4(4) . . . . ?
O1 Rh1 C29 C30 -78.0(2) . . . . ?
C27 Rh1 C29 C30 79.4(2) . . . . ?
C28 Rh1 C29 C30 116.5(3) . . . . ?
C26 Rh1 C29 C30 35.8(2) . . . . ?
P1 Rh1 C29 C30 -171.77(18) . . . . ?
O2 Rh1 C29 C34 165.5(3) . . . . ?
O1 Rh1 C29 C34 43.1(4) . . . . ?
C27 Rh1 C29 C34 -159.5(4) . . . . ?
C28 Rh1 C29 C34 -122.4(5) . . . . ?
C26 Rh1 C29 C34 156.9(4) . . . . ?
C30 Rh1 C29 C34 121.1(4) . . . . ?
P1 Rh1 C29 C34 -50.6(4) . . . . ?
C27 C26 C30 C29 0.1(4) . . . . ?
C31 C26 C30 C29 177.5(4) . . . . ?
Rh1 C26 C30 C29 58.4(3) . . . . ?
C27 C26 C30 C35 -175.3(4) . . . . ?
C31 C26 C30 C35 2.1(6) . . . . ?
Rh1 C26 C30 C35 -117.0(4) . . . . ?
C27 C26 C30 Rh1 -58.3(2) . . . . ?
C31 C26 C30 Rh1 119.1(4) . . . . ?
C28 C29 C30 C26 3.2(4) . . . . ?
C34 C29 C30 C26 174.7(4) . . . . ?
Rh1 C29 C30 C26 -60.2(3) . . . . ?
C28 C29 C30 C35 178.7(3) . . . . ?
C34 C29 C30 C35 -9.7(6) . . . . ?
Rh1 C29 C30 C35 115.3(4) . . . . ?
C28 C29 C30 Rh1 63.4(3) . . . . ?
C34 C29 C30 Rh1 -125.0(4) . . . . ?
O2 Rh1 C30 C26 -40.8(2) . . . . ?
O1 Rh1 C30 C26 -132.3(2) . . . . ?
C27 Rh1 C30 C26 37.9(2) . . . . ?
C29 Rh1 C30 C26 119.6(3) . . . . ?
C28 Rh1 C30 C26 81.1(2) . . . . ?
P1 Rh1 C30 C26 136.6(2) . . . . ?
O2 Rh1 C30 C29 -160.34(19) . . . . ?
O1 Rh1 C30 C29 108.1(2) . . . . ?
C27 Rh1 C30 C29 -81.7(2) . . . . ?
C28 Rh1 C30 C29 -38.4(2) . . . . ?
C26 Rh1 C30 C29 -119.6(3) . . . . ?
P1 Rh1 C30 C29 17.0(4) . . . . ?
O2 Rh1 C30 C35 81.6(4) . . . . ?
O1 Rh1 C30 C35 -9.9(4) . . . . ?
C27 Rh1 C30 C35 160.3(4) . . . . ?
C29 Rh1 C30 C35 -118.0(4) . . . . ?
C28 Rh1 C30 C35 -156.5(4) . . . . ?
C26 Rh1 C30 C35 122.4(4) . . . . ?
P1 Rh1 C30 C35 -101.0(4) . . . . ?
F2A C36A S1 O7 174.9(8) . . . . ?
F3A C36A S1 O7 54.6(7) . . . . ?
F1A C36A S1 O7 -62.3(7) . . . . ?
F2A C36A S1 O6 56.9(8) . . . . ?
F3A C36A S1 O6 -63.4(7) . . . . ?
F1A C36A S1 O6 179.7(7) . . . . ?
F2A C36A S1 O5 -67.2(8) . . . . ?
F3A C36A S1 O5 172.6(6) . . . . ?
F1A C36A S1 O5 55.6(8) . . . . ?
F2A C36A S1 C36B -41.7(13) . . . . ?
F3A C36A S1 C36B -162(2) . . . . ?
F1A C36A S1 C36B 81.1(17) . . . . ?
F1B C36B S1 O7 -56.0(8) . . . . ?
F2B C36B S1 O7 -174.9(7) . . . . ?
F3B C36B S1 O7 65.9(9) . . . . ?
F1B C36B S1 O6 178.4(7) . . . . ?
F2B C36B S1 O6 59.5(8) . . . . ?
F3B C36B S1 O6 -59.7(8) . . . . ?
F1B C36B S1 O5 60.8(8) . . . . ?
F2B C36B S1 O5 -58.1(7) . . . . ?
F3B C36B S1 O5 -177.3(8) . . . . ?
F1B C36B S1 C36A -95.6(18) . . . . ?
F2B C36B S1 C36A 145(2) . . . . ?
F3B C36B S1 C36A 26.3(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3 N2 0.84 1.95 2.760(4) 163 1_665
O4 H4A O5 0.84 1.89 2.716(4) 167 .

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.106


loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?
####################################################################### 
# 
# 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_rp08
_database_code_depnum_ccdc_archive 'CCDC 1412117'

_audit_update_record             
;
2015-07-10 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_publcif_datablock.id            {a11d4e8c-e891-4d9d-87c7-f31e944c7eaa}
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H42 Ir N3 O4 P, C F3 O3 S'
_chemical_formula_sum            'C36 H42 F3 Ir N3 O7 P S'
_chemical_formula_weight         940.96

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

_cell_length_a                   10.7256(7)
_cell_length_b                   12.7714(14)
_cell_length_c                   14.1260(17)
_cell_angle_alpha                98.921(10)
_cell_angle_beta                 94.649(9)
_cell_angle_gamma                106.740(7)
_cell_volume                     1814.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    338
_cell_measurement_theta_min      3
_cell_measurement_theta_max      22

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             940
_exptl_absorpt_coefficient_mu    3.850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4071
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   'SADABS 2008, Bruker AXS, 2008'

_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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29732
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         30.00
_reflns_number_total             10271
_reflns_number_gt                8726
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_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)+(0.0527P)²+11.3786P] 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         10271
_refine_ls_number_parameters     511
_refine_ls_number_restraints     139
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1297
_refine_ls_wR_factor_gt          0.1135
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.063
_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
Ir1 Ir 0.38154(2) 0.263702(17) 0.233184(13) 0.02428(7) Uani 1 1 d . . .
P1 P 0.47338(13) 0.12130(11) 0.22795(9) 0.0233(3) Uani 1 1 d . . .
O1 O 0.5728(4) 0.3724(3) 0.2859(3) 0.0269(8) Uani 1 1 d . . .
O2 O 0.3593(4) 0.2408(3) 0.3757(3) 0.0288(8) Uani 1 1 d . . .
O3 O 1.3486(4) 0.8195(4) 0.4313(3) 0.0435(11) Uani 1 1 d . . .
H3 H 1.3787 0.8388 0.3815 0.065 Uiso 1 1 calc R . .
O4 O -0.0683(5) 0.1382(4) 0.8359(3) 0.0448(11) Uani 1 1 d . . .
H4A H -0.0397 0.1849 0.8875 0.067 Uiso 1 1 calc R . .
N1 N 0.6858(5) 0.0635(4) 0.2988(3) 0.0304(10) Uani 1 1 d . . .
N2 N 0.4663(5) -0.0731(4) 0.2929(3) 0.0301(10) Uani 1 1 d . . .
N3 N 0.5627(5) -0.0457(4) 0.1410(3) 0.0302(10) Uani 1 1 d . . .
C1 C 1.0529(6) 0.6140(5) 0.2889(4) 0.0335(12) Uani 1 1 d . . .
H1 H 1.0198 0.5799 0.2235 0.040 Uiso 1 1 calc R . .
C2 C 1.1788(6) 0.6897(5) 0.3102(4) 0.0319(12) Uani 1 1 d . . .
H2 H 1.2312 0.7057 0.2600 0.038 Uiso 1 1 calc R . .
C3 C 1.2270(6) 0.7415(5) 0.4054(4) 0.0345(12) Uani 1 1 d . . .
C4 C 1.1499(6) 0.7154(6) 0.4782(4) 0.0426(16) Uani 1 1 d . . .
H4B H 1.1827 0.7506 0.5434 0.051 Uiso 1 1 calc R . .
C5 C 1.0260(6) 0.6387(6) 0.4562(4) 0.0374(14) Uani 1 1 d . . .
H5 H 0.9752 0.6209 0.5069 0.045 Uiso 1 1 calc R . .
C6 C 0.9740(5) 0.5867(4) 0.3605(4) 0.0270(10) Uani 1 1 d . . .
C7 C 0.8372(5) 0.5104(4) 0.3353(4) 0.0277(11) Uani 1 1 d . . .
H7 H 0.8079 0.4765 0.2694 0.033 Uiso 1 1 calc R . .
C8 C 0.7533(6) 0.4865(5) 0.3986(4) 0.0292(11) Uani 1 1 d . . .
H8 H 0.7824 0.5224 0.4641 0.035 Uiso 1 1 calc R . .
C9 C 0.6188(5) 0.4089(4) 0.3757(4) 0.0258(10) Uani 1 1 d . . .
C10 C 0.5524(6) 0.3824(5) 0.4547(4) 0.0301(11) Uani 1 1 d . . .
H10 H 0.5960 0.4220 0.5167 0.036 Uiso 1 1 calc R . .
C11 C 0.4304(5) 0.3049(5) 0.4524(4) 0.0269(10) Uani 1 1 d . . .
C12 C 0.3743(6) 0.2926(5) 0.5438(4) 0.0303(11) Uani 1 1 d . . .
H12 H 0.4243 0.3354 0.6030 0.036 Uiso 1 1 calc R . .
C13 C 0.2554(6) 0.2231(5) 0.5449(4) 0.0292(11) Uani 1 1 d . . .
H13 H 0.2128 0.1798 0.4838 0.035 Uiso 1 1 calc R . .
C14 C 0.1803(6) 0.2031(5) 0.6256(4) 0.0305(11) Uani 1 1 d . . .
C15 C 0.2250(6) 0.2582(5) 0.7223(4) 0.0326(12) Uani 1 1 d . . .
H15 H 0.3109 0.3096 0.7388 0.039 Uiso 1 1 calc R . .
C16 C 0.1430(6) 0.2373(5) 0.7936(4) 0.0349(13) Uani 1 1 d . . .
H16 H 0.1728 0.2755 0.8584 0.042 Uiso 1 1 calc R . .
C17 C 0.0179(7) 0.1607(5) 0.7704(4) 0.0341(12) Uani 1 1 d . . .
C18 C -0.0257(7) 0.1048(5) 0.6755(5) 0.0389(14) Uani 1 1 d . . .
H18 H -0.1107 0.0518 0.6596 0.047 Uiso 1 1 calc R . .
C19 C 0.0537(7) 0.1260(5) 0.6048(4) 0.0364(13) Uani 1 1 d . . .
H19 H 0.0224 0.0877 0.5402 0.044 Uiso 1 1 calc R . .
C20 C 0.6384(5) 0.1609(5) 0.2959(4) 0.0284(11) Uani 1 1 d . . .
H20A H 0.7001 0.2154 0.2655 0.034 Uiso 1 1 calc R . .
H20B H 0.6368 0.1973 0.3628 0.034 Uiso 1 1 calc R . .
C21 C 0.3901(6) 0.0067(5) 0.2879(4) 0.0289(11) Uani 1 1 d . . .
H21A H 0.3787 0.0378 0.3541 0.035 Uiso 1 1 calc R . .
H21B H 0.3018 -0.0331 0.2517 0.035 Uiso 1 1 calc R . .
C22 C 0.4994(6) 0.0377(5) 0.1170(4) 0.0286(11) Uani 1 1 d . . .
H22A H 0.4140 -0.0008 0.0763 0.034 Uiso 1 1 calc R . .
H22B H 0.5558 0.0874 0.0797 0.034 Uiso 1 1 calc R . .
C23 C 0.5997(6) -0.0172(5) 0.3472(4) 0.0317(12) Uani 1 1 d . . .
H23A H 0.5910 0.0216 0.4115 0.038 Uiso 1 1 calc R . .
H23B H 0.6420 -0.0747 0.3577 0.038 Uiso 1 1 calc R . .
C24 C 0.4803(6) -0.1239(5) 0.1943(4) 0.0293(11) Uani 1 1 d . . .
H24A H 0.5187 -0.1850 0.1990 0.035 Uiso 1 1 calc R . .
H24B H 0.3918 -0.1570 0.1566 0.035 Uiso 1 1 calc R . .
C25 C 0.6927(6) 0.0089(5) 0.2008(4) 0.0331(12) Uani 1 1 d . . .
H25A H 0.7381 -0.0478 0.2057 0.040 Uiso 1 1 calc R . .
H25B H 0.7464 0.0650 0.1674 0.040 Uiso 1 1 calc R . .
C26 C 0.2204(6) 0.3404(5) 0.2275(4) 0.0317(12) Uani 1 1 d . . .
C27 C 0.1742(6) 0.2208(5) 0.1853(4) 0.0332(12) Uani 1 1 d . . .
C28 C 0.2401(6) 0.2035(5) 0.1027(4) 0.0318(12) Uani 1 1 d . . .
C29 C 0.3349(7) 0.3085(5) 0.0968(4) 0.0376(14) Uani 1 1 d . . .
C30 C 0.3153(7) 0.3940(5) 0.1722(5) 0.0388(14) Uani 1 1 d . . .
C31 C 0.1705(7) 0.3891(6) 0.3140(5) 0.0450(16) Uani 1 1 d . . .
H31A H 0.2219 0.4676 0.3351 0.068 Uiso 1 1 calc R . .
H31B H 0.1789 0.3484 0.3663 0.068 Uiso 1 1 calc R . .
H31C H 0.0779 0.3832 0.2973 0.068 Uiso 1 1 calc R . .
C32 C 0.0691(6) 0.1352(6) 0.2214(5) 0.0408(14) Uani 1 1 d . . .
H32A H -0.0176 0.1394 0.1979 0.061 Uiso 1 1 calc R . .
H32B H 0.0819 0.1501 0.2922 0.061 Uiso 1 1 calc R . .
H32C H 0.0747 0.0607 0.1974 0.061 Uiso 1 1 calc R . .
C33 C 0.2096(7) 0.0962(5) 0.0313(4) 0.0374(13) Uani 1 1 d . . .
H33A H 0.1388 0.0921 -0.0188 0.056 Uiso 1 1 calc R . .
H33B H 0.1820 0.0333 0.0648 0.056 Uiso 1 1 calc R . .
H33C H 0.2882 0.0933 0.0015 0.056 Uiso 1 1 calc R . .
C34 C 0.4190(9) 0.3316(8) 0.0178(5) 0.065(3) Uani 1 1 d . . .
H34A H 0.4423 0.2648 -0.0075 0.097 Uiso 1 1 calc R . .
H34B H 0.4992 0.3930 0.0438 0.097 Uiso 1 1 calc R . .
H34C H 0.3703 0.3520 -0.0344 0.097 Uiso 1 1 calc R . .
C35 C 0.3967(9) 0.5135(6) 0.1910(6) 0.055(2) Uani 1 1 d . . .
H35A H 0.3815 0.5511 0.2529 0.082 Uiso 1 1 calc R . .
H35B H 0.3723 0.5493 0.1390 0.082 Uiso 1 1 calc R . .
H35C H 0.4899 0.5184 0.1934 0.082 Uiso 1 1 calc R . .
C36A C -0.2003(16) 0.3715(12) 1.0286(10) 0.076(4) Uani 0.510(12) 1 d PDU A 1
F1A F -0.2274(16) 0.3625(14) 0.9343(8) 0.089(4) Uani 0.510(12) 1 d PDU A 1
F2A F -0.1287(17) 0.4748(9) 1.0672(8) 0.078(4) Uani 0.510(12) 1 d PDU A 1
F3A F -0.3141(14) 0.3525(15) 1.0656(11) 0.117(5) Uani 0.510(12) 1 d PDU A 1
C36B C -0.1423(17) 0.3970(13) 1.0233(10) 0.076(4) Uani 0.490(12) 1 d PDU A 2
F1B F -0.1557(16) 0.3941(13) 0.9278(8) 0.074(4) Uani 0.490(12) 1 d PDU A 2
F2B F -0.0289(18) 0.4788(12) 1.0601(9) 0.102(5) Uani 0.490(12) 1 d PDU A 2
F3B F -0.2376(17) 0.4333(14) 1.0579(9) 0.089(4) Uani 0.490(12) 1 d PDU A 2
S1 S -0.13008(17) 0.26886(14) 1.05563(11) 0.0392(3) Uani 1 1 d DU . .
O5 O -0.0130(6) 0.2756(6) 1.0103(4) 0.0658(17) Uani 1 1 d U A .
O6 O -0.1143(7) 0.2917(5) 1.1589(4) 0.0617(16) Uani 1 1 d U A .
O7 O -0.2418(8) 0.1773(6) 1.0109(4) 0.092(3) Uani 1 1 d U A .


_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
Ir1 O2 2.101(4) . ?
Ir1 O1 2.117(4) . ?
Ir1 C29 2.154(6) . ?
Ir1 C27 2.155(6) . ?
Ir1 C28 2.174(5) . ?
Ir1 C26 2.221(6) . ?
Ir1 C30 2.245(6) . ?
Ir1 P1 2.2990(15) . ?
P1 C20 1.835(5) . ?
P1 C22 1.843(5) . ?
P1 C21 1.847(6) . ?
O1 C9 1.286(6) . ?
O2 C11 1.288(6) . ?
O3 C3 1.373(7) . ?
O3 H3 0.8400 . ?
O4 C17 1.364(7) . ?
O4 H4A 0.8400 . ?
N1 C25 1.467(7) . ?
N1 C23 1.469(8) . ?
N1 C20 1.478(8) . ?
N2 C24 1.481(7) . ?
N2 C21 1.485(8) . ?
N2 C23 1.487(7) . ?
N3 C24 1.475(7) . ?
N3 C22 1.484(8) . ?
N3 C25 1.487(8) . ?
C1 C6 1.392(8) . ?
C1 C2 1.394(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.392(9) . ?
C4 C5 1.382(8) . ?
C4 H4B 0.9500 . ?
C5 C6 1.403(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.488(7) . ?
C7 C8 1.327(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.473(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.404(7) . ?
C10 C11 1.390(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.478(7) . ?
C12 C13 1.331(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.462(8) . ?
C13 H13 0.9500 . ?
C14 C19 1.405(9) . ?
C14 C15 1.411(8) . ?
C15 C16 1.398(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.392(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(9) . ?
C18 C19 1.374(9) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C30 1.416(9) . ?
C26 C27 1.473(8) . ?
C26 C31 1.492(9) . ?
C27 C28 1.433(9) . ?
C27 C32 1.510(9) . ?
C28 C29 1.449(9) . ?
C28 C33 1.504(8) . ?
C29 C30 1.476(10) . ?
C29 C34 1.503(10) . ?
C30 C35 1.494(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36A F1A 1.320(12) . ?
C36A F2A 1.324(13) . ?
C36A F3A 1.339(13) . ?
C36A S1 1.763(15) . ?
C36B F3B 1.335(13) . ?
C36B F1B 1.339(13) . ?
C36B F2B 1.356(14) . ?
C36B S1 1.803(15) . ?
S1 O6 1.429(5) . ?
S1 O7 1.430(6) . ?
S1 O5 1.442(6) . ?

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
O2 Ir1 O1 88.03(15) . . ?
O2 Ir1 C29 156.5(2) . . ?
O1 Ir1 C29 104.1(2) . . ?
O2 Ir1 C27 95.1(2) . . ?
O1 Ir1 C27 155.8(2) . . ?
C29 Ir1 C27 65.7(2) . . ?
O2 Ir1 C28 130.0(2) . . ?
O1 Ir1 C28 141.64(19) . . ?
C29 Ir1 C28 39.1(2) . . ?
C27 Ir1 C28 38.7(2) . . ?
O2 Ir1 C26 91.8(2) . . ?
O1 Ir1 C26 116.70(18) . . ?
C29 Ir1 C26 64.8(3) . . ?
C27 Ir1 C26 39.3(2) . . ?
C28 Ir1 C26 64.7(2) . . ?
O2 Ir1 C30 121.4(2) . . ?
O1 Ir1 C30 93.74(19) . . ?
C29 Ir1 C30 39.1(3) . . ?
C27 Ir1 C30 64.1(2) . . ?
C28 Ir1 C30 64.3(2) . . ?
C26 Ir1 C30 37.0(2) . . ?
O2 Ir1 P1 83.95(12) . . ?
O1 Ir1 P1 86.45(12) . . ?
C29 Ir1 P1 116.4(2) . . ?
C27 Ir1 P1 117.78(17) . . ?
C28 Ir1 P1 100.68(17) . . ?
C26 Ir1 P1 156.37(15) . . ?
C30 Ir1 P1 154.68(19) . . ?
C20 P1 C22 99.6(3) . . ?
C20 P1 C21 99.1(3) . . ?
C22 P1 C21 98.8(3) . . ?
C20 P1 Ir1 114.44(19) . . ?
C22 P1 Ir1 125.4(2) . . ?
C21 P1 Ir1 115.3(2) . . ?
C9 O1 Ir1 125.1(3) . . ?
C11 O2 Ir1 125.5(4) . . ?
C3 O3 H3 109.5 . . ?
C17 O4 H4A 109.5 . . ?
C25 N1 C23 109.4(4) . . ?
C25 N1 C20 110.9(5) . . ?
C23 N1 C20 110.9(5) . . ?
C24 N2 C21 110.2(4) . . ?
C24 N2 C23 108.5(5) . . ?
C21 N2 C23 111.3(4) . . ?
C24 N3 C22 111.5(5) . . ?
C24 N3 C25 108.3(5) . . ?
C22 N3 C25 111.2(4) . . ?
C6 C1 C2 122.1(5) . . ?
C6 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
O3 C3 C2 122.5(6) . . ?
O3 C3 C4 118.0(5) . . ?
C2 C3 C4 119.5(6) . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 H4B 119.7 . . ?
C3 C4 H4B 119.7 . . ?
C4 C5 C6 121.1(6) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 117.4(5) . . ?
C1 C6 C7 121.0(5) . . ?
C5 C6 C7 121.6(5) . . ?
C8 C7 C6 124.4(5) . . ?
C8 C7 H7 117.8 . . ?
C6 C7 H7 117.8 . . ?
C7 C8 C9 125.3(5) . . ?
C7 C8 H8 117.3 . . ?
C9 C8 H8 117.3 . . ?
O1 C9 C10 126.1(5) . . ?
O1 C9 C8 117.4(5) . . ?
C10 C9 C8 116.5(5) . . ?
C11 C10 C9 127.5(5) . . ?
C11 C10 H10 116.3 . . ?
C9 C10 H10 116.3 . . ?
O2 C11 C10 125.1(5) . . ?
O2 C11 C12 115.6(5) . . ?
C10 C11 C12 119.3(5) . . ?
C13 C12 C11 121.5(5) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 130.0(5) . . ?
C12 C13 H13 115.0 . . ?
C14 C13 H13 115.0 . . ?
C19 C14 C15 118.1(5) . . ?
C19 C14 C13 117.5(5) . . ?
C15 C14 C13 124.3(6) . . ?
C16 C15 C14 120.0(6) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
O4 C17 C16 123.5(6) . . ?
O4 C17 C18 116.7(6) . . ?
C16 C17 C18 119.7(5) . . ?
C19 C18 C17 120.1(6) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C14 121.6(6) . . ?
C18 C19 H19 119.2 . . ?
C14 C19 H19 119.2 . . ?
N1 C20 P1 111.8(4) . . ?
N1 C20 H20A 109.3 . . ?
P1 C20 H20A 109.3 . . ?
N1 C20 H20B 109.3 . . ?
P1 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
N2 C21 P1 111.4(4) . . ?
N2 C21 H21A 109.3 . . ?
P1 C21 H21A 109.3 . . ?
N2 C21 H21B 109.3 . . ?
P1 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
N3 C22 P1 110.7(4) . . ?
N3 C22 H22A 109.5 . . ?
P1 C22 H22A 109.5 . . ?
N3 C22 H22B 109.5 . . ?
P1 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
N1 C23 N2 114.1(4) . . ?
N1 C23 H23A 108.7 . . ?
N2 C23 H23A 108.7 . . ?
N1 C23 H23B 108.7 . . ?
N2 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
N3 C24 N2 114.4(4) . . ?
N3 C24 H24A 108.7 . . ?
N2 C24 H24A 108.7 . . ?
N3 C24 H24B 108.7 . . ?
N2 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
N1 C25 N3 114.2(5) . . ?
N1 C25 H25A 108.7 . . ?
N3 C25 H25A 108.7 . . ?
N1 C25 H25B 108.7 . . ?
N3 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
C30 C26 C27 107.9(5) . . ?
C30 C26 C31 129.3(6) . . ?
C27 C26 C31 122.7(6) . . ?
C30 C26 Ir1 72.4(4) . . ?
C27 C26 Ir1 67.9(3) . . ?
C31 C26 Ir1 124.7(4) . . ?
C28 C27 C26 108.0(5) . . ?
C28 C27 C32 127.5(6) . . ?
C26 C27 C32 124.4(6) . . ?
C28 C27 Ir1 71.4(3) . . ?
C26 C27 Ir1 72.8(3) . . ?
C32 C27 Ir1 124.5(4) . . ?
C27 C28 C29 108.3(5) . . ?
C27 C28 C33 125.4(6) . . ?
C29 C28 C33 126.2(6) . . ?
C27 C28 Ir1 70.0(3) . . ?
C29 C28 Ir1 69.7(3) . . ?
C33 C28 Ir1 128.9(4) . . ?
C28 C29 C30 107.0(6) . . ?
C28 C29 C34 126.8(6) . . ?
C30 C29 C34 125.2(6) . . ?
C28 C29 Ir1 71.2(3) . . ?
C30 C29 Ir1 73.8(3) . . ?
C34 C29 Ir1 129.2(5) . . ?
C26 C30 C29 108.4(5) . . ?
C26 C30 C35 127.8(7) . . ?
C29 C30 C35 123.4(7) . . ?
C26 C30 Ir1 70.6(3) . . ?
C29 C30 Ir1 67.1(3) . . ?
C35 C30 Ir1 122.4(5) . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
F1A C36A F2A 109.6(12) . . ?
F1A C36A F3A 107.6(12) . . ?
F2A C36A F3A 107.1(12) . . ?
F1A C36A S1 111.0(11) . . ?
F2A C36A S1 114.4(10) . . ?
F3A C36A S1 106.9(12) . . ?
F3B C36B F1B 107.1(11) . . ?
F3B C36B F2B 105.4(12) . . ?
F1B C36B F2B 105.9(12) . . ?
F3B C36B S1 115.8(12) . . ?
F1B C36B S1 113.4(11) . . ?
F2B C36B S1 108.4(11) . . ?
O6 S1 O7 115.0(4) . . ?
O6 S1 O5 117.0(4) . . ?
O7 S1 O5 114.5(4) . . ?
O6 S1 C36A 101.2(6) . . ?
O7 S1 C36A 94.7(7) . . ?
O5 S1 C36A 111.0(7) . . ?
O6 S1 C36B 103.7(5) . . ?
O7 S1 C36B 110.9(7) . . ?
O5 S1 C36B 92.5(6) . . ?

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
O2 Ir1 P1 C20 -73.5(2) . . . . ?
O1 Ir1 P1 C20 14.9(2) . . . . ?
C29 Ir1 P1 C20 118.8(3) . . . . ?
C27 Ir1 P1 C20 -166.1(3) . . . . ?
C28 Ir1 P1 C20 156.9(3) . . . . ?
C26 Ir1 P1 C20 -154.0(4) . . . . ?
C30 Ir1 P1 C20 106.2(4) . . . . ?
O2 Ir1 P1 C22 163.4(3) . . . . ?
O1 Ir1 P1 C22 -108.2(2) . . . . ?
C29 Ir1 P1 C22 -4.3(3) . . . . ?
C27 Ir1 P1 C22 70.8(3) . . . . ?
C28 Ir1 P1 C22 33.8(3) . . . . ?
C26 Ir1 P1 C22 82.8(5) . . . . ?
C30 Ir1 P1 C22 -17.0(5) . . . . ?
O2 Ir1 P1 C21 40.5(2) . . . . ?
O1 Ir1 P1 C21 128.9(2) . . . . ?
C29 Ir1 P1 C21 -127.2(3) . . . . ?
C27 Ir1 P1 C21 -52.1(3) . . . . ?
C28 Ir1 P1 C21 -89.1(3) . . . . ?
C26 Ir1 P1 C21 -40.0(4) . . . . ?
C30 Ir1 P1 C21 -139.9(4) . . . . ?
O2 Ir1 O1 C9 -10.0(4) . . . . ?
C29 Ir1 O1 C9 149.6(5) . . . . ?
C27 Ir1 O1 C9 88.1(6) . . . . ?
C28 Ir1 O1 C9 163.2(4) . . . . ?
C26 Ir1 O1 C9 81.0(5) . . . . ?
C30 Ir1 O1 C9 111.3(5) . . . . ?
P1 Ir1 O1 C9 -94.1(4) . . . . ?
O1 Ir1 O2 C11 17.8(5) . . . . ?
C29 Ir1 O2 C11 -104.2(6) . . . . ?
C27 Ir1 O2 C11 -138.1(5) . . . . ?
C28 Ir1 O2 C11 -156.7(4) . . . . ?
C26 Ir1 O2 C11 -98.8(5) . . . . ?
C30 Ir1 O2 C11 -75.4(5) . . . . ?
P1 Ir1 O2 C11 104.5(5) . . . . ?
C6 C1 C2 C3 -1.2(10) . . . . ?
C1 C2 C3 O3 -178.0(6) . . . . ?
C1 C2 C3 C4 1.3(10) . . . . ?
O3 C3 C4 C5 179.1(7) . . . . ?
C2 C3 C4 C5 -0.2(11) . . . . ?
C3 C4 C5 C6 -1.0(11) . . . . ?
C2 C1 C6 C5 0.1(9) . . . . ?
C2 C1 C6 C7 176.6(6) . . . . ?
C4 C5 C6 C1 1.1(10) . . . . ?
C4 C5 C6 C7 -175.4(6) . . . . ?
C1 C6 C7 C8 -175.2(6) . . . . ?
C5 C6 C7 C8 1.1(9) . . . . ?
C6 C7 C8 C9 -178.2(5) . . . . ?
Ir1 O1 C9 C10 1.2(8) . . . . ?
Ir1 O1 C9 C8 -178.4(4) . . . . ?
C7 C8 C9 O1 -9.5(9) . . . . ?
C7 C8 C9 C10 170.9(6) . . . . ?
O1 C9 C10 C11 6.3(10) . . . . ?
C8 C9 C10 C11 -174.1(6) . . . . ?
Ir1 O2 C11 C10 -17.3(8) . . . . ?
Ir1 O2 C11 C12 162.6(4) . . . . ?
C9 C10 C11 O2 2.6(10) . . . . ?
C9 C10 C11 C12 -177.3(6) . . . . ?
O2 C11 C12 C13 -2.9(9) . . . . ?
C10 C11 C12 C13 177.0(6) . . . . ?
C11 C12 C13 C14 -176.5(6) . . . . ?
C12 C13 C14 C19 178.1(6) . . . . ?
C12 C13 C14 C15 0.0(10) . . . . ?
C19 C14 C15 C16 -1.4(9) . . . . ?
C13 C14 C15 C16 176.8(6) . . . . ?
C14 C15 C16 C17 1.2(9) . . . . ?
C15 C16 C17 O4 -178.4(6) . . . . ?
C15 C16 C17 C18 -0.1(10) . . . . ?
O4 C17 C18 C19 177.6(6) . . . . ?
C16 C17 C18 C19 -0.8(10) . . . . ?
C17 C18 C19 C14 0.5(11) . . . . ?
C15 C14 C19 C18 0.5(10) . . . . ?
C13 C14 C19 C18 -177.7(6) . . . . ?
C25 N1 C20 P1 60.3(5) . . . . ?
C23 N1 C20 P1 -61.4(5) . . . . ?
C22 P1 C20 N1 -50.1(4) . . . . ?
C21 P1 C20 N1 50.4(4) . . . . ?
Ir1 P1 C20 N1 173.7(3) . . . . ?
C24 N2 C21 P1 -61.1(5) . . . . ?
C23 N2 C21 P1 59.3(5) . . . . ?
C20 P1 C21 N2 -49.4(4) . . . . ?
C22 P1 C21 N2 51.8(4) . . . . ?
Ir1 P1 C21 N2 -172.0(3) . . . . ?
C24 N3 C22 P1 60.9(5) . . . . ?
C25 N3 C22 P1 -60.2(5) . . . . ?
C20 P1 C22 N3 49.8(4) . . . . ?
C21 P1 C22 N3 -51.0(4) . . . . ?
Ir1 P1 C22 N3 179.2(3) . . . . ?
C25 N1 C23 N2 -54.7(6) . . . . ?
C20 N1 C23 N2 67.9(6) . . . . ?
C24 N2 C23 N1 54.3(6) . . . . ?
C21 N2 C23 N1 -67.2(6) . . . . ?
C22 N3 C24 N2 -67.8(6) . . . . ?
C25 N3 C24 N2 54.9(6) . . . . ?
C21 N2 C24 N3 67.3(6) . . . . ?
C23 N2 C24 N3 -54.8(6) . . . . ?
C23 N1 C25 N3 55.0(6) . . . . ?
C20 N1 C25 N3 -67.6(6) . . . . ?
C24 N3 C25 N1 -54.8(6) . . . . ?
C22 N3 C25 N1 68.1(6) . . . . ?
O2 Ir1 C26 C30 145.6(3) . . . . ?
O1 Ir1 C26 C30 56.9(4) . . . . ?
C29 Ir1 C26 C30 -36.8(3) . . . . ?
C27 Ir1 C26 C30 -118.5(5) . . . . ?
C28 Ir1 C26 C30 -80.3(4) . . . . ?
P1 Ir1 C26 C30 -135.5(4) . . . . ?
O2 Ir1 C26 C27 -95.9(3) . . . . ?
O1 Ir1 C26 C27 175.4(3) . . . . ?
C29 Ir1 C26 C27 81.7(4) . . . . ?
C28 Ir1 C26 C27 38.2(3) . . . . ?
C30 Ir1 C26 C27 118.5(5) . . . . ?
P1 Ir1 C26 C27 -17.0(6) . . . . ?
O2 Ir1 C26 C31 19.5(6) . . . . ?
O1 Ir1 C26 C31 -69.2(6) . . . . ?
C29 Ir1 C26 C31 -162.9(6) . . . . ?
C27 Ir1 C26 C31 115.4(7) . . . . ?
C28 Ir1 C26 C31 153.6(6) . . . . ?
C30 Ir1 C26 C31 -126.1(7) . . . . ?
P1 Ir1 C26 C31 98.4(6) . . . . ?
C30 C26 C27 C28 -1.4(7) . . . . ?
C31 C26 C27 C28 178.9(6) . . . . ?
Ir1 C26 C27 C28 -63.1(4) . . . . ?
C30 C26 C27 C32 -177.9(6) . . . . ?
C31 C26 C27 C32 2.5(9) . . . . ?
Ir1 C26 C27 C32 120.4(6) . . . . ?
C30 C26 C27 Ir1 61.7(4) . . . . ?
C31 C26 C27 Ir1 -117.9(6) . . . . ?
O2 Ir1 C27 C28 -157.0(3) . . . . ?
O1 Ir1 C27 C28 106.3(5) . . . . ?
C29 Ir1 C27 C28 37.1(4) . . . . ?
C26 Ir1 C27 C28 116.5(5) . . . . ?
C30 Ir1 C27 C28 80.5(4) . . . . ?
P1 Ir1 C27 C28 -71.2(4) . . . . ?
O2 Ir1 C27 C26 86.5(3) . . . . ?
O1 Ir1 C27 C26 -10.1(6) . . . . ?
C29 Ir1 C27 C26 -79.4(4) . . . . ?
C28 Ir1 C27 C26 -116.5(5) . . . . ?
C30 Ir1 C27 C26 -36.0(4) . . . . ?
P1 Ir1 C27 C26 172.4(3) . . . . ?
O2 Ir1 C27 C32 -33.8(5) . . . . ?
O1 Ir1 C27 C32 -130.5(5) . . . . ?
C29 Ir1 C27 C32 160.3(6) . . . . ?
C28 Ir1 C27 C32 123.2(7) . . . . ?
C26 Ir1 C27 C32 -120.4(7) . . . . ?
C30 Ir1 C27 C32 -156.3(6) . . . . ?
P1 Ir1 C27 C32 52.0(6) . . . . ?
C26 C27 C28 C29 4.7(7) . . . . ?
C32 C27 C28 C29 -179.0(6) . . . . ?
Ir1 C27 C28 C29 -59.3(4) . . . . ?
C26 C27 C28 C33 -171.9(6) . . . . ?
C32 C27 C28 C33 4.5(10) . . . . ?
Ir1 C27 C28 C33 124.1(6) . . . . ?
C26 C27 C28 Ir1 64.0(4) . . . . ?
C32 C27 C28 Ir1 -119.6(6) . . . . ?
O2 Ir1 C28 C27 30.5(4) . . . . ?
O1 Ir1 C28 C27 -140.6(4) . . . . ?
C29 Ir1 C28 C27 -119.5(5) . . . . ?
C26 Ir1 C28 C27 -38.9(4) . . . . ?
C30 Ir1 C28 C27 -80.0(4) . . . . ?
P1 Ir1 C28 C27 121.6(3) . . . . ?
O2 Ir1 C28 C29 150.0(4) . . . . ?
O1 Ir1 C28 C29 -21.1(6) . . . . ?
C27 Ir1 C28 C29 119.5(5) . . . . ?
C26 Ir1 C28 C29 80.6(4) . . . . ?
C30 Ir1 C28 C29 39.4(4) . . . . ?
P1 Ir1 C28 C29 -119.0(4) . . . . ?
O2 Ir1 C28 C33 -89.4(6) . . . . ?
O1 Ir1 C28 C33 99.5(6) . . . . ?
C29 Ir1 C28 C33 120.7(7) . . . . ?
C27 Ir1 C28 C33 -119.9(7) . . . . ?
C26 Ir1 C28 C33 -158.8(6) . . . . ?
C30 Ir1 C28 C33 160.1(7) . . . . ?
P1 Ir1 C28 C33 1.7(6) . . . . ?
C27 C28 C29 C30 -6.1(7) . . . . ?
C33 C28 C29 C30 170.4(6) . . . . ?
Ir1 C28 C29 C30 -65.6(4) . . . . ?
C27 C28 C29 C34 -175.2(7) . . . . ?
C33 C28 C29 C34 1.3(11) . . . . ?
Ir1 C28 C29 C34 125.3(8) . . . . ?
C27 C28 C29 Ir1 59.5(4) . . . . ?
C33 C28 C29 Ir1 -124.0(6) . . . . ?
O2 Ir1 C29 C28 -74.2(6) . . . . ?
O1 Ir1 C29 C28 166.7(4) . . . . ?
C27 Ir1 C29 C28 -36.7(4) . . . . ?
C26 Ir1 C29 C28 -80.1(4) . . . . ?
C30 Ir1 C29 C28 -114.9(6) . . . . ?
P1 Ir1 C29 C28 73.6(4) . . . . ?
O2 Ir1 C29 C30 40.7(7) . . . . ?
O1 Ir1 C29 C30 -78.4(4) . . . . ?
C27 Ir1 C29 C30 78.3(4) . . . . ?
C28 Ir1 C29 C30 114.9(6) . . . . ?
C26 Ir1 C29 C30 34.8(4) . . . . ?
P1 Ir1 C29 C30 -171.4(3) . . . . ?
O2 Ir1 C29 C34 163.3(6) . . . . ?
O1 Ir1 C29 C34 44.1(7) . . . . ?
C27 Ir1 C29 C34 -159.2(7) . . . . ?
C28 Ir1 C29 C34 -122.6(8) . . . . ?
C26 Ir1 C29 C34 157.3(7) . . . . ?
C30 Ir1 C29 C34 122.5(8) . . . . ?
P1 Ir1 C29 C34 -48.9(7) . . . . ?
C27 C26 C30 C29 -2.4(7) . . . . ?
C31 C26 C30 C29 177.3(6) . . . . ?
Ir1 C26 C30 C29 56.5(4) . . . . ?
C27 C26 C30 C35 -175.3(6) . . . . ?
C31 C26 C30 C35 4.3(11) . . . . ?
Ir1 C26 C30 C35 -116.4(7) . . . . ?
C27 C26 C30 Ir1 -58.9(4) . . . . ?
C31 C26 C30 Ir1 120.8(7) . . . . ?
C28 C29 C30 C26 5.2(7) . . . . ?
C34 C29 C30 C26 174.5(6) . . . . ?
Ir1 C29 C30 C26 -58.6(4) . . . . ?
C28 C29 C30 C35 178.5(6) . . . . ?
C34 C29 C30 C35 -12.2(10) . . . . ?
Ir1 C29 C30 C35 114.7(6) . . . . ?
C28 C29 C30 Ir1 63.9(4) . . . . ?
C34 C29 C30 Ir1 -126.9(7) . . . . ?
O2 Ir1 C30 C26 -41.5(4) . . . . ?
O1 Ir1 C30 C26 -131.4(3) . . . . ?
C29 Ir1 C30 C26 120.8(5) . . . . ?
C27 Ir1 C30 C26 38.2(3) . . . . ?
C28 Ir1 C30 C26 81.4(4) . . . . ?
P1 Ir1 C30 C26 139.0(4) . . . . ?
O2 Ir1 C30 C29 -162.3(3) . . . . ?
O1 Ir1 C30 C29 107.8(4) . . . . ?
C27 Ir1 C30 C29 -82.6(4) . . . . ?
C28 Ir1 C30 C29 -39.4(4) . . . . ?
C26 Ir1 C30 C29 -120.8(5) . . . . ?
P1 Ir1 C30 C29 18.2(6) . . . . ?
O2 Ir1 C30 C35 81.6(7) . . . . ?
O1 Ir1 C30 C35 -8.3(7) . . . . ?
C29 Ir1 C30 C35 -116.1(8) . . . . ?
C27 Ir1 C30 C35 161.3(7) . . . . ?
C28 Ir1 C30 C35 -155.5(7) . . . . ?
C26 Ir1 C30 C35 123.1(8) . . . . ?
P1 Ir1 C30 C35 -97.9(7) . . . . ?
F1A C36A S1 O6 -177.9(10) . . . . ?
F2A C36A S1 O6 57.4(11) . . . . ?
F3A C36A S1 O6 -60.9(9) . . . . ?
F1A C36A S1 O7 -61.2(11) . . . . ?
F2A C36A S1 O7 174.1(10) . . . . ?
F3A C36A S1 O7 55.8(9) . . . . ?
F1A C36A S1 O5 57.2(11) . . . . ?
F2A C36A S1 O5 -67.4(11) . . . . ?
F3A C36A S1 O5 174.2(8) . . . . ?
F1A C36A S1 C36B 83(2) . . . . ?
F2A C36A S1 C36B -41.8(18) . . . . ?
F3A C36A S1 C36B -160(3) . . . . ?
F3B C36B S1 O6 -56.6(11) . . . . ?
F1B C36B S1 O6 179.0(10) . . . . ?
F2B C36B S1 O6 61.6(10) . . . . ?
F3B C36B S1 O7 67.4(12) . . . . ?
F1B C36B S1 O7 -57.0(12) . . . . ?
F2B C36B S1 O7 -174.4(9) . . . . ?
F3B C36B S1 O5 -175.2(11) . . . . ?
F1B C36B S1 O5 60.4(11) . . . . ?
F2B C36B S1 O5 -57.0(10) . . . . ?
F3B C36B S1 C36A 28.7(18) . . . . ?
F1B C36B S1 C36A -96(2) . . . . ?
F2B C36B S1 C36A 147(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3 N2 0.84 1.93 2.744(7) 163 1_665
O4 H4A O5 0.84 1.88 2.706(7) 167 .

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         3.445
_refine_diff_density_min         -3.824
_refine_diff_density_rms         0.187


loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?
