# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_141021_zsx141021
_database_code_depnum_ccdc_archive 'CCDC 1421251'
_audit_update_record             
;
2015-08-30 deposited with the CCDC.
2016-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H56 Cl2 F12 N6 P2 Rh2'
_chemical_formula_weight         1211.59

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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   10.7210(7)
_cell_length_b                   20.3638(10)
_cell_length_c                   12.6324(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.710(8)
_cell_angle_gamma                90.00
_cell_volume                     2544.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7873
_exptl_absorpt_correction_T_max  0.8410
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_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            9155
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4479
_reflns_number_gt                3472
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0516P)²+3.0285P] 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         4479
_refine_ls_number_parameters     306
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1223
_refine_ls_wR_factor_gt          0.1067
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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 0.47764(3) 0.083598(16) 0.05051(3) 0.03552(15) Uani 1 1 d . . .
Cl1 Cl 0.44584(12) 0.02636(6) -0.12862(10) 0.0463(3) Uani 1 1 d . . .
C12 C 0.2806(5) 0.0811(2) 0.0663(5) 0.0472(12) Uani 1 1 d . . .
C14 C 0.4390(4) 0.1631(2) 0.1446(4) 0.0481(12) Uani 1 1 d . . .
N1 N 0.7082(4) 0.1446(2) -0.0037(4) 0.0528(11) Uani 1 1 d . . .
C13 C 0.3838(5) 0.1045(3) 0.1712(4) 0.0484(12) Uani 1 1 d . . .
C1 C 0.6709(4) 0.1133(2) 0.0736(4) 0.0440(11) Uani 1 1 d . . .
N2 N 0.7826(4) 0.1100(2) 0.1718(4) 0.0572(12) Uani 1 1 d . . .
C10 C 0.3720(5) 0.1749(2) 0.0245(5) 0.0497(12) Uani 1 1 d . . .
C4 C 0.8440(6) 0.1613(3) 0.0445(7) 0.0711(18) Uani 1 1 d . . .
C2 C 0.7932(6) 0.0825(3) 0.2801(5) 0.0744(19) Uani 1 1 d . . .
H2A H 0.7060 0.0671 0.2740 0.112 Uiso 1 1 calc R . .
H2B H 0.8247 0.1155 0.3386 0.112 Uiso 1 1 calc R . .
H2C H 0.8558 0.0465 0.2998 0.112 Uiso 1 1 calc R . .
C11 C 0.2724(4) 0.1245(3) -0.0215(4) 0.0520(13) Uani 1 1 d . . .
C5 C 0.8911(5) 0.1403(3) 0.1550(7) 0.0712(19) Uani 1 1 d . . .
C17 C 0.1752(6) 0.1192(4) -0.1429(5) 0.082(2) Uani 1 1 d . . .
H17A H 0.1537 0.0739 -0.1620 0.123 Uiso 1 1 calc R . .
H17B H 0.2151 0.1376 -0.1925 0.123 Uiso 1 1 calc R . .
H17C H 0.0941 0.1429 -0.1524 0.123 Uiso 1 1 calc R . .
C15 C 0.5374(6) 0.2085(3) 0.2293(5) 0.0730(18) Uani 1 1 d . . .
H15A H 0.5981 0.2261 0.1971 0.109 Uiso 1 1 calc R . .
H15B H 0.5881 0.1847 0.2982 0.109 Uiso 1 1 calc R . .
H15C H 0.4892 0.2437 0.2470 0.109 Uiso 1 1 calc R . .
C19 C 0.4209(7) 0.0746(3) 0.2883(5) 0.0777(19) Uani 1 1 d . . .
H19A H 0.3502 0.0830 0.3154 0.117 Uiso 1 1 calc R . .
H19B H 0.5038 0.0936 0.3403 0.117 Uiso 1 1 calc R . .
H19C H 0.4323 0.0280 0.2837 0.117 Uiso 1 1 calc R . .
C18 C 0.1928(6) 0.0219(3) 0.0588(7) 0.084(2) Uani 1 1 d . . .
H18A H 0.1214 0.0339 0.0831 0.126 Uiso 1 1 calc R . .
H18B H 0.2466 -0.0122 0.1076 0.126 Uiso 1 1 calc R . .
H18C H 0.1547 0.0066 -0.0190 0.126 Uiso 1 1 calc R . .
C16 C 0.3877(7) 0.2352(3) -0.0383(6) 0.0812(19) Uani 1 1 d . . .
H16A H 0.3563 0.2259 -0.1189 0.122 Uiso 1 1 calc R . .
H16B H 0.4812 0.2477 -0.0101 0.122 Uiso 1 1 calc R . .
H16C H 0.3354 0.2705 -0.0258 0.122 Uiso 1 1 calc R . .
C3 C 0.6227(7) 0.1618(3) -0.1221(6) 0.0757(18) Uani 1 1 d . . .
H3A H 0.5312 0.1487 -0.1380 0.114 Uiso 1 1 calc R . .
H3B H 0.6549 0.1397 -0.1737 0.114 Uiso 1 1 calc R . .
H3C H 0.6258 0.2084 -0.1323 0.114 Uiso 1 1 calc R . .
P1 P 0.79085(19) 0.09242(10) 0.61918(16) 0.0795(5) Uani 1 1 d . . .
F6 F 0.7081(6) 0.1407(4) 0.5239(6) 0.186(3) Uani 1 1 d . . .
F5 F 0.6630(7) 0.0745(5) 0.6372(8) 0.225(4) Uani 1 1 d . . .
F3 F 0.9221(5) 0.1141(4) 0.6067(6) 0.167(2) Uani 1 1 d . . .
F2 F 0.7480(11) 0.0439(5) 0.5235(8) 0.282(5) Uani 1 1 d . . .
C9 C 0.9251(8) 0.1963(3) -0.0005(8) 0.100(3) Uani 1 1 d . . .
H9 H 0.8937 0.2107 -0.0761 0.120 Uiso 1 1 calc R . .
C8 C 1.0553(10) 0.2075(5) 0.0770(12) 0.133(5) Uani 1 1 d . . .
H8 H 1.1139 0.2301 0.0516 0.159 Uiso 1 1 calc R . .
C6 C 1.0241(6) 0.1519(4) 0.2339(8) 0.105(3) Uani 1 1 d . . .
H6 H 1.0565 0.1372 0.3094 0.126 Uiso 1 1 calc R . .
C7 C 1.1030(8) 0.1875(5) 0.1880(11) 0.130(5) Uani 1 1 d . . .
H7 H 1.1915 0.1979 0.2354 0.156 Uiso 1 1 calc R . .
F4 F 0.8244(8) 0.1452(5) 0.7081(7) 0.256(5) Uani 1 1 d . . .
F1 F 0.8735(7) 0.0420(5) 0.7042(8) 0.267(6) Uani 1 1 d . . .
C21 C 0.7812(11) 0.3454(5) 0.0859(11) 0.135(4) Uani 1 1 d . . .
N3 N 0.7410(12) 0.2994(5) 0.1055(13) 0.216(6) Uani 1 1 d . . .
C20 C 0.8403(16) 0.4048(6) 0.0704(9) 0.205(7) Uani 1 1 d . . .
H20A H 0.8653 0.4309 0.1388 0.307 Uiso 1 1 calc R . .
H20B H 0.7764 0.4286 0.0070 0.307 Uiso 1 1 calc R . .
H20C H 0.9193 0.3953 0.0549 0.307 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C1 2.068(5) . ?
Rh1 C10 2.136(5) . ?
Rh1 C14 2.141(5) . ?
Rh1 C13 2.169(5) . ?
Rh1 C11 2.195(4) . ?
Rh1 C12 2.197(5) . ?
Rh1 Cl1 2.4494(12) . ?
Rh1 Cl1 2.4567(12) 3_655 ?
Cl1 Rh1 2.4567(12) 3_655 ?
C12 C11 1.394(7) . ?
C12 C13 1.441(7) . ?
C12 C18 1.509(7) . ?
C14 C10 1.426(7) . ?
C14 C13 1.428(7) . ?
C14 C15 1.497(7) . ?
N1 C1 1.349(6) . ?
N1 C4 1.386(7) . ?
N1 C3 1.464(7) . ?
C13 C19 1.504(8) . ?
C1 N2 1.353(6) . ?
N2 C5 1.403(7) . ?
N2 C2 1.442(8) . ?
C10 C11 1.433(7) . ?
C10 C16 1.506(7) . ?
C4 C5 1.358(9) . ?
C4 C9 1.403(9) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C11 C17 1.488(7) . ?
C5 C6 1.409(8) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
P1 F2 1.490(7) . ?
P1 F4 1.494(7) . ?
P1 F1 1.503(6) . ?
P1 F5 1.519(6) . ?
P1 F3 1.540(5) . ?
P1 F6 1.542(6) . ?
C9 C8 1.380(13) . ?
C9 H9 0.9300 . ?
C8 C7 1.356(14) . ?
C8 H8 0.9300 . ?
C6 C7 1.398(13) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C21 N3 1.100(12) . ?
C21 C20 1.414(14) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
C1 Rh1 C10 102.10(19) . . ?
C1 Rh1 C14 95.65(18) . . ?
C10 Rh1 C14 38.96(19) . . ?
C1 Rh1 C13 123.70(19) . . ?
C10 Rh1 C13 64.8(2) . . ?
C14 Rh1 C13 38.70(19) . . ?
C1 Rh1 C11 137.5(2) . . ?
C10 Rh1 C11 38.61(19) . . ?
C14 Rh1 C11 64.23(18) . . ?
C13 Rh1 C11 63.50(19) . . ?
C1 Rh1 C12 159.99(18) . . ?
C10 Rh1 C12 64.09(18) . . ?
C14 Rh1 C12 64.43(18) . . ?
C13 Rh1 C12 38.52(19) . . ?
C11 Rh1 C12 37.00(19) . . ?
C1 Rh1 Cl1 92.52(14) . . ?
C10 Rh1 Cl1 113.32(15) . . ?
C14 Rh1 Cl1 152.23(14) . . ?
C13 Rh1 Cl1 143.72(14) . . ?
C11 Rh1 Cl1 92.19(14) . . ?
C12 Rh1 Cl1 106.08(14) . . ?
C1 Rh1 Cl1 92.82(14) . 3_655 ?
C10 Rh1 Cl1 158.50(15) . 3_655 ?
C14 Rh1 Cl1 124.91(15) . 3_655 ?
C13 Rh1 Cl1 94.03(14) . 3_655 ?
C11 Rh1 Cl1 129.66(15) . 3_655 ?
C12 Rh1 Cl1 97.25(13) . 3_655 ?
Cl1 Rh1 Cl1 80.98(4) . 3_655 ?
Rh1 Cl1 Rh1 99.02(4) . 3_655 ?
C11 C12 C13 108.2(4) . . ?
C11 C12 C18 127.6(5) . . ?
C13 C12 C18 124.1(5) . . ?
C11 C12 Rh1 71.4(3) . . ?
C13 C12 Rh1 69.7(3) . . ?
C18 C12 Rh1 127.6(4) . . ?
C10 C14 C13 107.9(4) . . ?
C10 C14 C15 125.7(5) . . ?
C13 C14 C15 126.1(5) . . ?
C10 C14 Rh1 70.3(3) . . ?
C13 C14 Rh1 71.7(3) . . ?
C15 C14 Rh1 129.0(4) . . ?
C1 N1 C4 110.6(5) . . ?
C1 N1 C3 127.5(4) . . ?
C4 N1 C3 121.9(5) . . ?
C14 C13 C12 107.5(4) . . ?
C14 C13 C19 126.4(5) . . ?
C12 C13 C19 126.0(5) . . ?
C14 C13 Rh1 69.6(3) . . ?
C12 C13 Rh1 71.8(3) . . ?
C19 C13 Rh1 126.4(4) . . ?
N1 C1 N2 106.4(4) . . ?
N1 C1 Rh1 126.7(4) . . ?
N2 C1 Rh1 126.8(4) . . ?
C1 N2 C5 109.4(5) . . ?
C1 N2 C2 127.4(4) . . ?
C5 N2 C2 123.2(5) . . ?
C14 C10 C11 107.5(4) . . ?
C14 C10 C16 125.8(5) . . ?
C11 C10 C16 126.0(5) . . ?
C14 C10 Rh1 70.7(3) . . ?
C11 C10 Rh1 72.9(3) . . ?
C16 C10 Rh1 129.1(4) . . ?
C5 C4 N1 106.6(5) . . ?
C5 C4 C9 122.3(7) . . ?
N1 C4 C9 131.0(8) . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C12 C11 C10 108.9(4) . . ?
C12 C11 C17 125.3(5) . . ?
C10 C11 C17 125.8(6) . . ?
C12 C11 Rh1 71.6(3) . . ?
C10 C11 Rh1 68.5(2) . . ?
C17 C11 Rh1 126.2(4) . . ?
C4 C5 N2 107.0(5) . . ?
C4 C5 C6 123.2(7) . . ?
N2 C5 C6 129.7(8) . . ?
C11 C17 H17A 109.5 . . ?
C11 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C11 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C19 H19A 109.5 . . ?
C13 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C13 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C10 C16 H16A 109.5 . . ?
C10 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C10 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
F2 P1 F4 174.9(6) . . ?
F2 P1 F1 92.2(6) . . ?
F4 P1 F1 92.9(6) . . ?
F2 P1 F5 87.1(6) . . ?
F4 P1 F5 91.7(5) . . ?
F1 P1 F5 92.6(5) . . ?
F2 P1 F3 96.7(6) . . ?
F4 P1 F3 84.6(4) . . ?
F1 P1 F3 87.7(4) . . ?
F5 P1 F3 176.3(5) . . ?
F2 P1 F6 83.4(5) . . ?
F4 P1 F6 91.6(5) . . ?
F1 P1 F6 175.0(6) . . ?
F5 P1 F6 89.4(4) . . ?
F3 P1 F6 90.6(4) . . ?
C8 C9 C4 114.4(9) . . ?
C8 C9 H9 122.8 . . ?
C4 C9 H9 122.8 . . ?
C7 C8 C9 123.9(9) . . ?
C7 C8 H8 118.1 . . ?
C9 C8 H8 118.1 . . ?
C7 C6 C5 113.8(9) . . ?
C7 C6 H6 123.1 . . ?
C5 C6 H6 123.1 . . ?
C8 C7 C6 122.5(9) . . ?
C8 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
N3 C21 C20 175.2(17) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Rh1 Cl1 Rh1 92.45(14) . . . 3_655 ?
C10 Rh1 Cl1 Rh1 -163.22(15) . . . 3_655 ?
C14 Rh1 Cl1 Rh1 -160.4(3) . . . 3_655 ?
C13 Rh1 Cl1 Rh1 -84.5(2) . . . 3_655 ?
C11 Rh1 Cl1 Rh1 -129.84(16) . . . 3_655 ?
C12 Rh1 Cl1 Rh1 -95.00(14) . . . 3_655 ?
Cl1 Rh1 Cl1 Rh1 0.0 3_655 . . 3_655 ?
C1 Rh1 C12 C11 86.2(7) . . . . ?
C10 Rh1 C12 C11 37.0(3) . . . . ?
C14 Rh1 C12 C11 80.4(3) . . . . ?
C13 Rh1 C12 C11 118.4(4) . . . . ?
Cl1 Rh1 C12 C11 -71.5(3) . . . . ?
Cl1 Rh1 C12 C11 -154.2(3) 3_655 . . . ?
C1 Rh1 C12 C13 -32.2(7) . . . . ?
C10 Rh1 C12 C13 -81.4(3) . . . . ?
C14 Rh1 C12 C13 -38.0(3) . . . . ?
C11 Rh1 C12 C13 -118.4(4) . . . . ?
Cl1 Rh1 C12 C13 170.0(3) . . . . ?
Cl1 Rh1 C12 C13 87.4(3) 3_655 . . . ?
C1 Rh1 C12 C18 -150.2(6) . . . . ?
C10 Rh1 C12 C18 160.6(6) . . . . ?
C14 Rh1 C12 C18 -156.0(6) . . . . ?
C13 Rh1 C12 C18 -118.0(7) . . . . ?
C11 Rh1 C12 C18 123.6(7) . . . . ?
Cl1 Rh1 C12 C18 52.0(6) . . . . ?
Cl1 Rh1 C12 C18 -30.6(6) 3_655 . . . ?
C1 Rh1 C14 C10 102.3(3) . . . . ?
C13 Rh1 C14 C10 -117.5(4) . . . . ?
C11 Rh1 C14 C10 -38.5(3) . . . . ?
C12 Rh1 C14 C10 -79.7(3) . . . . ?
Cl1 Rh1 C14 C10 -4.1(5) . . . . ?
Cl1 Rh1 C14 C10 -160.3(2) 3_655 . . . ?
C1 Rh1 C14 C13 -140.2(3) . . . . ?
C10 Rh1 C14 C13 117.5(4) . . . . ?
C11 Rh1 C14 C13 79.0(3) . . . . ?
C12 Rh1 C14 C13 37.8(3) . . . . ?
Cl1 Rh1 C14 C13 113.4(4) . . . . ?
Cl1 Rh1 C14 C13 -42.8(3) 3_655 . . . ?
C1 Rh1 C14 C15 -18.2(6) . . . . ?
C10 Rh1 C14 C15 -120.5(7) . . . . ?
C13 Rh1 C14 C15 122.0(6) . . . . ?
C11 Rh1 C14 C15 -158.9(6) . . . . ?
C12 Rh1 C14 C15 159.8(6) . . . . ?
Cl1 Rh1 C14 C15 -124.6(5) . . . . ?
Cl1 Rh1 C14 C15 79.2(6) 3_655 . . . ?
C10 C14 C13 C12 -0.9(5) . . . . ?
C15 C14 C13 C12 172.4(5) . . . . ?
Rh1 C14 C13 C12 -62.2(3) . . . . ?
C10 C14 C13 C19 -177.9(5) . . . . ?
C15 C14 C13 C19 -4.6(8) . . . . ?
Rh1 C14 C13 C19 120.8(5) . . . . ?
C10 C14 C13 Rh1 61.3(3) . . . . ?
C15 C14 C13 Rh1 -125.4(5) . . . . ?
C11 C12 C13 C14 -0.5(5) . . . . ?
C18 C12 C13 C14 -176.8(5) . . . . ?
Rh1 C12 C13 C14 60.8(3) . . . . ?
C11 C12 C13 C19 176.4(5) . . . . ?
C18 C12 C13 C19 0.2(8) . . . . ?
Rh1 C12 C13 C19 -122.2(5) . . . . ?
C11 C12 C13 Rh1 -61.3(3) . . . . ?
C18 C12 C13 Rh1 122.4(5) . . . . ?
C1 Rh1 C13 C14 50.0(4) . . . . ?
C10 Rh1 C13 C14 -38.0(3) . . . . ?
C11 Rh1 C13 C14 -81.1(3) . . . . ?
C12 Rh1 C13 C14 -117.4(4) . . . . ?
Cl1 Rh1 C13 C14 -133.7(2) . . . . ?
Cl1 Rh1 C13 C14 146.1(3) 3_655 . . . ?
C1 Rh1 C13 C12 167.3(3) . . . . ?
C10 Rh1 C13 C12 79.3(3) . . . . ?
C14 Rh1 C13 C12 117.4(4) . . . . ?
C11 Rh1 C13 C12 36.3(3) . . . . ?
Cl1 Rh1 C13 C12 -16.4(4) . . . . ?
Cl1 Rh1 C13 C12 -96.6(3) 3_655 . . . ?
C1 Rh1 C13 C19 -70.9(5) . . . . ?
C10 Rh1 C13 C19 -158.9(5) . . . . ?
C14 Rh1 C13 C19 -120.9(6) . . . . ?
C11 Rh1 C13 C19 158.0(6) . . . . ?
C12 Rh1 C13 C19 121.8(6) . . . . ?
Cl1 Rh1 C13 C19 105.4(5) . . . . ?
Cl1 Rh1 C13 C19 25.2(5) 3_655 . . . ?
C4 N1 C1 N2 0.1(6) . . . . ?
C3 N1 C1 N2 -178.2(5) . . . . ?
C4 N1 C1 Rh1 175.4(4) . . . . ?
C3 N1 C1 Rh1 -2.9(8) . . . . ?
C10 Rh1 C1 N1 -62.7(4) . . . . ?
C14 Rh1 C1 N1 -101.7(4) . . . . ?
C13 Rh1 C1 N1 -130.4(4) . . . . ?
C11 Rh1 C1 N1 -44.2(5) . . . . ?
C12 Rh1 C1 N1 -106.9(6) . . . . ?
Cl1 Rh1 C1 N1 51.8(4) . . . . ?
Cl1 Rh1 C1 N1 132.8(4) 3_655 . . . ?
C10 Rh1 C1 N2 111.6(4) . . . . ?
C14 Rh1 C1 N2 72.7(4) . . . . ?
C13 Rh1 C1 N2 43.9(5) . . . . ?
C11 Rh1 C1 N2 130.1(4) . . . . ?
C12 Rh1 C1 N2 67.5(8) . . . . ?
Cl1 Rh1 C1 N2 -133.9(4) . . . . ?
Cl1 Rh1 C1 N2 -52.8(4) 3_655 . . . ?
N1 C1 N2 C5 0.5(6) . . . . ?
Rh1 C1 N2 C5 -174.8(3) . . . . ?
N1 C1 N2 C2 178.3(5) . . . . ?
Rh1 C1 N2 C2 3.0(8) . . . . ?
C13 C14 C10 C11 1.9(5) . . . . ?
C15 C14 C10 C11 -171.4(5) . . . . ?
Rh1 C14 C10 C11 64.1(3) . . . . ?
C13 C14 C10 C16 172.9(5) . . . . ?
C15 C14 C10 C16 -0.4(8) . . . . ?
Rh1 C14 C10 C16 -124.9(5) . . . . ?
C13 C14 C10 Rh1 -62.2(3) . . . . ?
C15 C14 C10 Rh1 124.5(5) . . . . ?
C1 Rh1 C10 C14 -84.0(3) . . . . ?
C13 Rh1 C10 C14 37.8(3) . . . . ?
C11 Rh1 C10 C14 116.1(4) . . . . ?
C12 Rh1 C10 C14 80.7(3) . . . . ?
Cl1 Rh1 C10 C14 177.9(2) . . . . ?
Cl1 Rh1 C10 C14 49.0(5) 3_655 . . . ?
C1 Rh1 C10 C11 159.9(3) . . . . ?
C14 Rh1 C10 C11 -116.1(4) . . . . ?
C13 Rh1 C10 C11 -78.4(3) . . . . ?
C12 Rh1 C10 C11 -35.5(3) . . . . ?
Cl1 Rh1 C10 C11 61.8(3) . . . . ?
Cl1 Rh1 C10 C11 -67.2(5) 3_655 . . . ?
C1 Rh1 C10 C16 37.0(6) . . . . ?
C14 Rh1 C10 C16 121.0(6) . . . . ?
C13 Rh1 C10 C16 158.8(6) . . . . ?
C11 Rh1 C10 C16 -122.9(7) . . . . ?
C12 Rh1 C10 C16 -158.4(6) . . . . ?
Cl1 Rh1 C10 C16 -61.1(5) . . . . ?
Cl1 Rh1 C10 C16 169.9(4) 3_655 . . . ?
C1 N1 C4 C5 -0.6(6) . . . . ?
C3 N1 C4 C5 177.8(5) . . . . ?
C1 N1 C4 C9 -176.8(6) . . . . ?
C3 N1 C4 C9 1.6(9) . . . . ?
C13 C12 C11 C10 1.8(5) . . . . ?
C18 C12 C11 C10 177.9(5) . . . . ?
Rh1 C12 C11 C10 -58.5(3) . . . . ?
C13 C12 C11 C17 -178.0(5) . . . . ?
C18 C12 C11 C17 -1.9(8) . . . . ?
Rh1 C12 C11 C17 121.8(5) . . . . ?
C13 C12 C11 Rh1 60.2(3) . . . . ?
C18 C12 C11 Rh1 -123.7(5) . . . . ?
C14 C10 C11 C12 -2.3(5) . . . . ?
C16 C10 C11 C12 -173.2(5) . . . . ?
Rh1 C10 C11 C12 60.4(3) . . . . ?
C14 C10 C11 C17 177.4(5) . . . . ?
C16 C10 C11 C17 6.5(8) . . . . ?
Rh1 C10 C11 C17 -119.9(5) . . . . ?
C14 C10 C11 Rh1 -62.7(3) . . . . ?
C16 C10 C11 Rh1 126.4(5) . . . . ?
C1 Rh1 C11 C12 -149.7(3) . . . . ?
C10 Rh1 C11 C12 -119.9(4) . . . . ?
C14 Rh1 C11 C12 -81.0(3) . . . . ?
C13 Rh1 C11 C12 -37.7(3) . . . . ?
Cl1 Rh1 C11 C12 114.2(3) . . . . ?
Cl1 Rh1 C11 C12 34.1(4) 3_655 . . . ?
C1 Rh1 C11 C10 -29.8(4) . . . . ?
C14 Rh1 C11 C10 38.8(3) . . . . ?
C13 Rh1 C11 C10 82.1(3) . . . . ?
C12 Rh1 C11 C10 119.9(4) . . . . ?
Cl1 Rh1 C11 C10 -125.9(3) . . . . ?
Cl1 Rh1 C11 C10 154.0(3) 3_655 . . . ?
C1 Rh1 C11 C17 89.6(6) . . . . ?
C10 Rh1 C11 C17 119.4(7) . . . . ?
C14 Rh1 C11 C17 158.2(6) . . . . ?
C13 Rh1 C11 C17 -158.5(6) . . . . ?
C12 Rh1 C11 C17 -120.8(7) . . . . ?
Cl1 Rh1 C11 C17 -6.6(6) . . . . ?
Cl1 Rh1 C11 C17 -86.6(6) 3_655 . . . ?
N1 C4 C5 N2 0.9(6) . . . . ?
C9 C4 C5 N2 177.5(5) . . . . ?
N1 C4 C5 C6 -176.3(5) . . . . ?
C9 C4 C5 C6 0.3(10) . . . . ?
C1 N2 C5 C4 -0.9(6) . . . . ?
C2 N2 C5 C4 -178.8(5) . . . . ?
C1 N2 C5 C6 176.1(6) . . . . ?
C2 N2 C5 C6 -1.8(9) . . . . ?
C5 C4 C9 C8 -0.2(9) . . . . ?
N1 C4 C9 C8 175.4(7) . . . . ?
C4 C9 C8 C7 -0.6(13) . . . . ?
C4 C5 C6 C7 0.5(9) . . . . ?
N2 C5 C6 C7 -176.1(6) . . . . ?
C9 C8 C7 C6 1.5(16) . . . . ?
C5 C6 C7 C8 -1.3(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.090
####################################################################### 
# 
# 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_141030_zsx141027_1
_database_code_depnum_ccdc_archive 'CCDC 1421252'
_audit_update_record             
;
2015-08-30 deposited with the CCDC.
2016-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H27 Cl F6 N4 P Rh'
_chemical_formula_weight         606.79

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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   7.7291(4)
_cell_length_b                   15.0891(6)
_cell_length_c                   21.3580(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2490.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
_exptl_absorpt_coefficient_mu    0.917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7396
_exptl_absorpt_correction_T_max  0.8378
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_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            15558
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4378
_reflns_number_gt                4010
_reflns_threshold_expression     >2sigma(I)

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


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0541P)²+1.8011P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.68(5)
_refine_ls_number_reflns         4378
_refine_ls_number_parameters     305
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1004
_refine_ls_wR_factor_gt          0.0965
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_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 0.37557(5) 0.24072(2) 0.242279(16) 0.03206(12) Uani 1 1 d . . .
C20 C 0.6491(6) 0.2438(3) 0.2213(2) 0.0427(11) Uani 1 1 d . . .
N2 N 0.2051(5) 0.4099(2) 0.25386(19) 0.0359(9) Uani 1 1 d . . .
C12 C 0.6270(8) 0.2213(3) 0.2860(2) 0.0454(12) Uani 1 1 d . . .
N1 N 0.2564(6) 0.3726(3) 0.3490(2) 0.0399(10) Uani 1 1 d . . .
C1 C 0.2827(6) 0.3463(3) 0.2901(2) 0.0342(11) Uani 1 1 d . . .
C3 C 0.1297(8) 0.4747(3) 0.2907(3) 0.0490(13) Uani 1 1 d . . .
H3 H 0.0696 0.5244 0.2768 0.059 Uiso 1 1 calc R . .
C2 C 0.1598(8) 0.4522(3) 0.3498(3) 0.0495(15) Uani 1 1 d . . .
H2 H 0.1240 0.4830 0.3852 0.059 Uiso 1 1 calc R . .
N3 N 0.2535(5) 0.3174(3) 0.17153(19) 0.0383(10) Uani 1 1 d . . .
C16 C 0.5007(8) 0.1115(3) 0.2241(3) 0.0538(16) Uani 1 1 d . . .
C4 C 0.1877(7) 0.3953(3) 0.1894(3) 0.0397(12) Uani 1 1 d . . .
C9 C 0.3051(8) 0.3227(4) 0.4055(3) 0.0526(15) Uani 1 1 d . . .
H9 H 0.3845 0.2751 0.3933 0.063 Uiso 1 1 calc R . .
N4 N 0.1063(8) 0.4541(3) 0.1559(2) 0.0549(13) Uani 1 1 d . . .
C6 C 0.0825(10) 0.4296(5) 0.0956(3) 0.072(2) Uani 1 1 d . . .
H6 H 0.0281 0.4693 0.0687 0.087 Uiso 1 1 calc R . .
C14 C 0.5282(8) 0.1418(4) 0.2881(3) 0.0508(16) Uani 1 1 d . . .
C10 C 0.4002(11) 0.3849(5) 0.4510(3) 0.078(2) Uani 1 1 d . . .
H10A H 0.4994 0.4099 0.4305 0.116 Uiso 1 1 calc R . .
H10B H 0.4368 0.3521 0.4871 0.116 Uiso 1 1 calc R . .
H10C H 0.3236 0.4317 0.4637 0.116 Uiso 1 1 calc R . .
C17 C 0.4050(10) 0.0296(4) 0.2062(4) 0.081(2) Uani 1 1 d . . .
H17A H 0.3484 0.0388 0.1667 0.121 Uiso 1 1 calc R . .
H17B H 0.3201 0.0163 0.2376 0.121 Uiso 1 1 calc R . .
H17C H 0.4848 -0.0189 0.2026 0.121 Uiso 1 1 calc R . .
C15 C 0.4804(12) 0.0893(5) 0.3462(4) 0.096(3) Uani 1 1 d . . .
H15A H 0.5426 0.0342 0.3463 0.143 Uiso 1 1 calc R . .
H15B H 0.3583 0.0777 0.3461 0.143 Uiso 1 1 calc R . .
H15C H 0.5102 0.1229 0.3828 0.143 Uiso 1 1 calc R . .
C7 C 0.1335(10) 0.3508(5) 0.0724(3) 0.0698(18) Uani 1 1 d . . .
H7 H 0.1088 0.3348 0.0313 0.084 Uiso 1 1 calc R . .
C11 C 0.1464(11) 0.2814(5) 0.4347(3) 0.086(2) Uani 1 1 d . . .
H11A H 0.0575 0.3255 0.4388 0.129 Uiso 1 1 calc R . .
H11B H 0.1752 0.2584 0.4753 0.129 Uiso 1 1 calc R . .
H11C H 0.1056 0.2341 0.4085 0.129 Uiso 1 1 calc R . .
C13 C 0.7122(9) 0.2704(6) 0.3384(3) 0.084(2) Uani 1 1 d . . .
H13A H 0.6774 0.2451 0.3776 0.126 Uiso 1 1 calc R . .
H13B H 0.6783 0.3316 0.3370 0.126 Uiso 1 1 calc R . .
H13C H 0.8355 0.2661 0.3341 0.126 Uiso 1 1 calc R . .
C8 C 0.2229(8) 0.2947(5) 0.1113(3) 0.0608(17) Uani 1 1 d . . .
H8 H 0.2628 0.2407 0.0961 0.073 Uiso 1 1 calc R . .
C18 C 0.5762(7) 0.1737(3) 0.1845(3) 0.0426(13) Uani 1 1 d . . .
Cl1 Cl 0.09746(17) 0.17604(8) 0.26168(8) 0.0566(4) Uani 1 1 d . . .
C19 C 0.5922(10) 0.1688(5) 0.1147(3) 0.0693(19) Uani 1 1 d . . .
H19A H 0.6984 0.1396 0.1039 0.104 Uiso 1 1 calc R . .
H19B H 0.5920 0.2276 0.0976 0.104 Uiso 1 1 calc R . .
H19C H 0.4964 0.1360 0.0980 0.104 Uiso 1 1 calc R . .
C21 C 0.7535(9) 0.3190(4) 0.1956(4) 0.0661(18) Uani 1 1 d . . .
H21A H 0.8507 0.2960 0.1728 0.099 Uiso 1 1 calc R . .
H21B H 0.7940 0.3554 0.2294 0.099 Uiso 1 1 calc R . .
H21C H 0.6828 0.3539 0.1680 0.099 Uiso 1 1 calc R . .
P1 P 0.6163(3) 0.43556(17) 0.99600(7) 0.0772(6) Uani 1 1 d . . .
F5 F 0.5026(15) 0.3658(10) 0.9726(9) 0.337(10) Uani 1 1 d . . .
F4 F 0.5878(14) 0.4183(6) 1.0655(3) 0.194(4) Uani 1 1 d . . .
F1 F 0.4488(12) 0.4925(6) 0.9979(3) 0.169(4) Uani 1 1 d . . .
F3 F 0.7200(15) 0.5138(6) 1.0173(8) 0.276(8) Uani 1 1 d . . .
F2 F 0.6400(15) 0.4500(11) 0.9266(3) 0.302(9) Uani 1 1 d . . .
F6 F 0.7777(11) 0.3743(7) 0.9942(3) 0.224(5) 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 C1 2.024(5) . ?
Rh1 N3 2.124(4) . ?
Rh1 C14 2.140(5) . ?
Rh1 C20 2.162(5) . ?
Rh1 C12 2.176(6) . ?
Rh1 C16 2.211(5) . ?
Rh1 C18 2.225(5) . ?
Rh1 Cl1 2.3968(13) . ?
C20 C12 1.433(7) . ?
C20 C18 1.434(7) . ?
C20 C21 1.497(8) . ?
N2 C1 1.372(6) . ?
N2 C3 1.384(6) . ?
N2 C4 1.400(7) . ?
C12 C14 1.424(8) . ?
C12 C13 1.494(8) . ?
N1 C1 1.334(7) . ?
N1 C2 1.414(6) . ?
N1 C9 1.473(7) . ?
C3 C2 1.327(8) . ?
C3 H3 0.9300 . ?
C2 H2 0.9300 . ?
N3 C4 1.338(7) . ?
N3 C8 1.351(7) . ?
C16 C18 1.392(8) . ?
C16 C14 1.456(9) . ?
C16 C17 1.490(9) . ?
C4 N4 1.302(7) . ?
C9 C11 1.510(9) . ?
C9 C10 1.537(9) . ?
C9 H9 0.9800 . ?
N4 C6 1.353(9) . ?
C6 C7 1.348(10) . ?
C6 H6 0.9300 . ?
C14 C15 1.517(8) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C7 C8 1.373(9) . ?
C7 H7 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C8 H8 0.9300 . ?
C18 C19 1.497(8) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
P1 F5 1.459(10) . ?
P1 F3 1.498(10) . ?
P1 F2 1.508(7) . ?
P1 F4 1.523(7) . ?
P1 F6 1.553(6) . ?
P1 F1 1.554(7) . ?

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
C1 Rh1 N3 76.88(18) . . ?
C1 Rh1 C14 120.9(2) . . ?
N3 Rh1 C14 161.8(2) . . ?
C1 Rh1 C20 115.8(2) . . ?
N3 Rh1 C20 105.96(18) . . ?
C14 Rh1 C20 64.6(2) . . ?
C1 Rh1 C12 101.89(19) . . ?
N3 Rh1 C12 140.83(19) . . ?
C14 Rh1 C12 38.5(2) . . ?
C20 Rh1 C12 38.59(19) . . ?
C1 Rh1 C16 159.7(2) . . ?
N3 Rh1 C16 123.4(2) . . ?
C14 Rh1 C16 39.1(2) . . ?
C20 Rh1 C16 63.6(2) . . ?
C12 Rh1 C16 64.3(2) . . ?
C1 Rh1 C18 152.3(2) . . ?
N3 Rh1 C18 99.35(18) . . ?
C14 Rh1 C18 63.4(2) . . ?
C20 Rh1 C18 38.1(2) . . ?
C12 Rh1 C18 63.54(19) . . ?
C16 Rh1 C18 36.6(2) . . ?
C1 Rh1 Cl1 85.13(14) . . ?
N3 Rh1 Cl1 86.92(12) . . ?
C14 Rh1 Cl1 97.54(17) . . ?
C20 Rh1 Cl1 157.20(14) . . ?
C12 Rh1 Cl1 132.24(15) . . ?
C16 Rh1 Cl1 93.65(16) . . ?
C18 Rh1 Cl1 122.39(15) . . ?
C12 C20 C18 107.9(4) . . ?
C12 C20 C21 126.7(5) . . ?
C18 C20 C21 124.8(5) . . ?
C12 C20 Rh1 71.2(3) . . ?
C18 C20 Rh1 73.3(3) . . ?
C21 C20 Rh1 128.3(4) . . ?
C1 N2 C3 111.0(4) . . ?
C1 N2 C4 119.1(4) . . ?
C3 N2 C4 129.1(4) . . ?
C14 C12 C20 107.1(5) . . ?
C14 C12 C13 129.1(6) . . ?
C20 C12 C13 123.5(6) . . ?
C14 C12 Rh1 69.4(3) . . ?
C20 C12 Rh1 70.2(3) . . ?
C13 C12 Rh1 130.4(4) . . ?
C1 N1 C2 110.2(4) . . ?
C1 N1 C9 125.6(4) . . ?
C2 N1 C9 124.0(4) . . ?
N1 C1 N2 104.9(4) . . ?
N1 C1 Rh1 139.8(4) . . ?
N2 C1 Rh1 114.9(4) . . ?
C2 C3 N2 106.6(4) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
C3 C2 N1 107.4(5) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C4 N3 C8 115.3(5) . . ?
C4 N3 Rh1 116.4(3) . . ?
C8 N3 Rh1 128.1(4) . . ?
C18 C16 C14 107.4(5) . . ?
C18 C16 C17 127.6(7) . . ?
C14 C16 C17 125.0(6) . . ?
C18 C16 Rh1 72.3(3) . . ?
C14 C16 Rh1 67.8(3) . . ?
C17 C16 Rh1 124.0(4) . . ?
N4 C4 N3 128.7(5) . . ?
N4 C4 N2 118.7(5) . . ?
N3 C4 N2 112.5(4) . . ?
N1 C9 C11 110.0(5) . . ?
N1 C9 C10 109.1(5) . . ?
C11 C9 C10 112.3(6) . . ?
N1 C9 H9 108.4 . . ?
C11 C9 H9 108.4 . . ?
C10 C9 H9 108.4 . . ?
C4 N4 C6 113.9(5) . . ?
C7 C6 N4 123.4(6) . . ?
C7 C6 H6 118.3 . . ?
N4 C6 H6 118.3 . . ?
C12 C14 C16 108.2(5) . . ?
C12 C14 C15 126.6(7) . . ?
C16 C14 C15 124.6(6) . . ?
C12 C14 Rh1 72.1(3) . . ?
C16 C14 Rh1 73.1(3) . . ?
C15 C14 Rh1 127.1(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C7 C8 118.0(6) . . ?
C6 C7 H7 121.0 . . ?
C8 C7 H7 121.0 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C8 C7 120.6(6) . . ?
N3 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C16 C18 C20 109.2(5) . . ?
C16 C18 C19 127.4(6) . . ?
C20 C18 C19 123.3(5) . . ?
C16 C18 Rh1 71.2(3) . . ?
C20 C18 Rh1 68.5(3) . . ?
C19 C18 Rh1 129.2(4) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
F5 P1 F3 174.2(8) . . ?
F5 P1 F2 80.9(9) . . ?
F3 P1 F2 96.9(8) . . ?
F5 P1 F4 97.1(9) . . ?
F3 P1 F4 85.2(7) . . ?
F2 P1 F4 177.9(9) . . ?
F5 P1 F6 92.6(6) . . ?
F3 P1 F6 92.7(6) . . ?
F2 P1 F6 87.9(5) . . ?
F4 P1 F6 92.2(5) . . ?
F5 P1 F1 84.6(6) . . ?
F3 P1 F1 90.1(5) . . ?
F2 P1 F1 92.7(4) . . ?
F4 P1 F1 87.1(4) . . ?
F6 P1 F1 177.0(7) . . ?

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
C1 Rh1 C20 C12 76.2(3) . . . . ?
N3 Rh1 C20 C12 159.1(3) . . . . ?
C14 Rh1 C20 C12 -37.5(3) . . . . ?
C16 Rh1 C20 C12 -81.1(3) . . . . ?
C18 Rh1 C20 C12 -116.1(4) . . . . ?
Cl1 Rh1 C20 C12 -78.5(5) . . . . ?
C1 Rh1 C20 C18 -167.7(3) . . . . ?
N3 Rh1 C20 C18 -84.8(3) . . . . ?
C14 Rh1 C20 C18 78.6(3) . . . . ?
C12 Rh1 C20 C18 116.1(4) . . . . ?
C16 Rh1 C20 C18 35.0(3) . . . . ?
Cl1 Rh1 C20 C18 37.6(5) . . . . ?
C1 Rh1 C20 C21 -46.1(6) . . . . ?
N3 Rh1 C20 C21 36.7(6) . . . . ?
C14 Rh1 C20 C21 -159.9(6) . . . . ?
C12 Rh1 C20 C21 -122.4(7) . . . . ?
C16 Rh1 C20 C21 156.5(6) . . . . ?
C18 Rh1 C20 C21 121.5(7) . . . . ?
Cl1 Rh1 C20 C21 159.2(4) . . . . ?
C18 C20 C12 C14 -4.9(6) . . . . ?
C21 C20 C12 C14 -175.9(5) . . . . ?
Rh1 C20 C12 C14 59.8(4) . . . . ?
C18 C20 C12 C13 169.4(5) . . . . ?
C21 C20 C12 C13 -1.7(9) . . . . ?
Rh1 C20 C12 C13 -126.0(6) . . . . ?
C18 C20 C12 Rh1 -64.7(3) . . . . ?
C21 C20 C12 Rh1 124.3(5) . . . . ?
C1 Rh1 C12 C14 125.4(3) . . . . ?
N3 Rh1 C12 C14 -150.9(3) . . . . ?
C20 Rh1 C12 C14 -118.0(5) . . . . ?
C16 Rh1 C12 C14 -38.9(3) . . . . ?
C18 Rh1 C12 C14 -79.8(3) . . . . ?
Cl1 Rh1 C12 C14 31.1(4) . . . . ?
C1 Rh1 C12 C20 -116.6(3) . . . . ?
N3 Rh1 C12 C20 -32.9(4) . . . . ?
C14 Rh1 C12 C20 118.0(5) . . . . ?
C16 Rh1 C12 C20 79.2(3) . . . . ?
C18 Rh1 C12 C20 38.3(3) . . . . ?
Cl1 Rh1 C12 C20 149.1(2) . . . . ?
C1 Rh1 C12 C13 1.0(7) . . . . ?
N3 Rh1 C12 C13 84.8(7) . . . . ?
C14 Rh1 C12 C13 -124.4(8) . . . . ?
C20 Rh1 C12 C13 117.6(7) . . . . ?
C16 Rh1 C12 C13 -163.2(7) . . . . ?
C18 Rh1 C12 C13 155.9(7) . . . . ?
Cl1 Rh1 C12 C13 -93.2(6) . . . . ?
C2 N1 C1 N2 0.9(5) . . . . ?
C9 N1 C1 N2 175.4(5) . . . . ?
C2 N1 C1 Rh1 -171.1(5) . . . . ?
C9 N1 C1 Rh1 3.4(9) . . . . ?
C3 N2 C1 N1 -0.7(6) . . . . ?
C4 N2 C1 N1 -170.8(4) . . . . ?
C3 N2 C1 Rh1 173.7(3) . . . . ?
C4 N2 C1 Rh1 3.5(5) . . . . ?
N3 Rh1 C1 N1 167.8(6) . . . . ?
C14 Rh1 C1 N1 -16.0(7) . . . . ?
C20 Rh1 C1 N1 -90.6(6) . . . . ?
C12 Rh1 C1 N1 -52.3(6) . . . . ?
C16 Rh1 C1 N1 -7.5(10) . . . . ?
C18 Rh1 C1 N1 -107.0(6) . . . . ?
Cl1 Rh1 C1 N1 79.9(6) . . . . ?
N3 Rh1 C1 N2 -3.7(3) . . . . ?
C14 Rh1 C1 N2 172.5(3) . . . . ?
C20 Rh1 C1 N2 97.9(4) . . . . ?
C12 Rh1 C1 N2 136.2(3) . . . . ?
C16 Rh1 C1 N2 -179.0(5) . . . . ?
C18 Rh1 C1 N2 81.5(5) . . . . ?
Cl1 Rh1 C1 N2 -91.7(3) . . . . ?
C1 N2 C3 C2 0.1(6) . . . . ?
C4 N2 C3 C2 169.1(5) . . . . ?
N2 C3 C2 N1 0.5(6) . . . . ?
C1 N1 C2 C3 -0.9(6) . . . . ?
C9 N1 C2 C3 -175.5(5) . . . . ?
C1 Rh1 N3 C4 3.7(4) . . . . ?
C14 Rh1 N3 C4 -165.6(6) . . . . ?
C20 Rh1 N3 C4 -109.7(4) . . . . ?
C12 Rh1 N3 C4 -89.1(4) . . . . ?
C16 Rh1 N3 C4 -178.2(4) . . . . ?
C18 Rh1 N3 C4 -148.2(4) . . . . ?
Cl1 Rh1 N3 C4 89.5(4) . . . . ?
C1 Rh1 N3 C8 -171.2(5) . . . . ?
C14 Rh1 N3 C8 19.5(10) . . . . ?
C20 Rh1 N3 C8 75.4(5) . . . . ?
C12 Rh1 N3 C8 96.0(5) . . . . ?
C16 Rh1 N3 C8 6.9(6) . . . . ?
C18 Rh1 N3 C8 36.9(5) . . . . ?
Cl1 Rh1 N3 C8 -85.5(5) . . . . ?
C1 Rh1 C16 C18 -129.6(6) . . . . ?
N3 Rh1 C16 C18 55.9(4) . . . . ?
C14 Rh1 C16 C18 -117.9(5) . . . . ?
C20 Rh1 C16 C18 -36.4(3) . . . . ?
C12 Rh1 C16 C18 -79.6(4) . . . . ?
Cl1 Rh1 C16 C18 144.6(3) . . . . ?
C1 Rh1 C16 C14 -11.7(8) . . . . ?
N3 Rh1 C16 C14 173.8(3) . . . . ?
C20 Rh1 C16 C14 81.5(4) . . . . ?
C12 Rh1 C16 C14 38.3(3) . . . . ?
C18 Rh1 C16 C14 117.9(5) . . . . ?
Cl1 Rh1 C16 C14 -97.5(3) . . . . ?
C1 Rh1 C16 C17 106.6(8) . . . . ?
N3 Rh1 C16 C17 -68.0(6) . . . . ?
C14 Rh1 C16 C17 118.2(7) . . . . ?
C20 Rh1 C16 C17 -160.3(7) . . . . ?
C12 Rh1 C16 C17 156.6(7) . . . . ?
C18 Rh1 C16 C17 -123.8(8) . . . . ?
Cl1 Rh1 C16 C17 20.7(6) . . . . ?
C8 N3 C4 N4 -3.9(9) . . . . ?
Rh1 N3 C4 N4 -179.5(5) . . . . ?
C8 N3 C4 N2 172.6(5) . . . . ?
Rh1 N3 C4 N2 -3.0(6) . . . . ?
C1 N2 C4 N4 176.6(5) . . . . ?
C3 N2 C4 N4 8.5(8) . . . . ?
C1 N2 C4 N3 -0.3(6) . . . . ?
C3 N2 C4 N3 -168.4(5) . . . . ?
C1 N1 C9 C11 -104.4(7) . . . . ?
C2 N1 C9 C11 69.3(7) . . . . ?
C1 N1 C9 C10 131.9(6) . . . . ?
C2 N1 C9 C10 -54.3(7) . . . . ?
N3 C4 N4 C6 2.3(9) . . . . ?
N2 C4 N4 C6 -174.1(5) . . . . ?
C4 N4 C6 C7 1.9(10) . . . . ?
C20 C12 C14 C16 4.3(6) . . . . ?
C13 C12 C14 C16 -169.4(6) . . . . ?
Rh1 C12 C14 C16 64.7(4) . . . . ?
C20 C12 C14 C15 176.3(6) . . . . ?
C13 C12 C14 C15 2.5(10) . . . . ?
Rh1 C12 C14 C15 -123.4(6) . . . . ?
C20 C12 C14 Rh1 -60.3(4) . . . . ?
C13 C12 C14 Rh1 125.9(6) . . . . ?
C18 C16 C14 C12 -2.2(6) . . . . ?
C17 C16 C14 C12 179.2(5) . . . . ?
Rh1 C16 C14 C12 -64.0(4) . . . . ?
C18 C16 C14 C15 -174.3(6) . . . . ?
C17 C16 C14 C15 7.0(9) . . . . ?
Rh1 C16 C14 C15 123.9(6) . . . . ?
C18 C16 C14 Rh1 61.8(4) . . . . ?
C17 C16 C14 Rh1 -116.8(6) . . . . ?
C1 Rh1 C14 C12 -68.5(4) . . . . ?
N3 Rh1 C14 C12 99.4(7) . . . . ?
C20 Rh1 C14 C12 37.6(3) . . . . ?
C16 Rh1 C14 C12 116.2(5) . . . . ?
C18 Rh1 C14 C12 80.2(3) . . . . ?
Cl1 Rh1 C14 C12 -157.3(3) . . . . ?
C1 Rh1 C14 C16 175.3(3) . . . . ?
N3 Rh1 C14 C16 -16.8(9) . . . . ?
C20 Rh1 C14 C16 -78.7(4) . . . . ?
C12 Rh1 C14 C16 -116.2(5) . . . . ?
C18 Rh1 C14 C16 -36.1(3) . . . . ?
Cl1 Rh1 C14 C16 86.5(3) . . . . ?
C1 Rh1 C14 C15 54.3(8) . . . . ?
N3 Rh1 C14 C15 -137.8(7) . . . . ?
C20 Rh1 C14 C15 160.4(8) . . . . ?
C12 Rh1 C14 C15 122.8(8) . . . . ?
C16 Rh1 C14 C15 -121.0(8) . . . . ?
C18 Rh1 C14 C15 -157.0(8) . . . . ?
Cl1 Rh1 C14 C15 -34.5(7) . . . . ?
N4 C6 C7 C8 -3.9(12) . . . . ?
C4 N3 C8 C7 1.5(9) . . . . ?
Rh1 N3 C8 C7 176.4(5) . . . . ?
C6 C7 C8 N3 2.0(11) . . . . ?
C14 C16 C18 C20 -0.9(6) . . . . ?
C17 C16 C18 C20 177.7(5) . . . . ?
Rh1 C16 C18 C20 58.1(3) . . . . ?
C14 C16 C18 C19 175.5(6) . . . . ?
C17 C16 C18 C19 -5.8(9) . . . . ?
Rh1 C16 C18 C19 -125.4(6) . . . . ?
C14 C16 C18 Rh1 -59.0(4) . . . . ?
C17 C16 C18 Rh1 119.6(6) . . . . ?
C12 C20 C18 C16 3.6(6) . . . . ?
C21 C20 C18 C16 174.8(5) . . . . ?
Rh1 C20 C18 C16 -59.7(4) . . . . ?
C12 C20 C18 C19 -173.0(5) . . . . ?
C21 C20 C18 C19 -1.8(8) . . . . ?
Rh1 C20 C18 C19 123.7(5) . . . . ?
C12 C20 C18 Rh1 63.3(3) . . . . ?
C21 C20 C18 Rh1 -125.4(5) . . . . ?
C1 Rh1 C18 C16 144.9(4) . . . . ?
N3 Rh1 C18 C16 -135.5(4) . . . . ?
C14 Rh1 C18 C16 38.5(4) . . . . ?
C20 Rh1 C18 C16 120.5(5) . . . . ?
C12 Rh1 C18 C16 81.8(4) . . . . ?
Cl1 Rh1 C18 C16 -43.2(4) . . . . ?
C1 Rh1 C18 C20 24.4(6) . . . . ?
N3 Rh1 C18 C20 104.0(3) . . . . ?
C14 Rh1 C18 C20 -82.0(3) . . . . ?
C12 Rh1 C18 C20 -38.7(3) . . . . ?
C16 Rh1 C18 C20 -120.5(5) . . . . ?
Cl1 Rh1 C18 C20 -163.7(2) . . . . ?
C1 Rh1 C18 C19 -91.8(7) . . . . ?
N3 Rh1 C18 C19 -12.2(6) . . . . ?
C14 Rh1 C18 C19 161.8(6) . . . . ?
C20 Rh1 C18 C19 -116.2(7) . . . . ?
C12 Rh1 C18 C19 -154.9(6) . . . . ?
C16 Rh1 C18 C19 123.3(7) . . . . ?
Cl1 Rh1 C18 C19 80.1(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.092
####################################################################### 
# 
# 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_141105_zsx141103_1
_database_code_depnum_ccdc_archive 'CCDC 1421253'
_audit_update_record             
;
2015-08-30 deposited with the CCDC.
2016-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H29 Cl F6 N4 P Rh'
_chemical_formula_weight         620.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   14.8991(4)
_cell_length_b                   15.3359(5)
_cell_length_c                   22.4136(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5121.3(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.28
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7218
_exptl_absorpt_correction_T_max  0.7878
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'multiwire proportional'
_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            31954
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.12
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4511
_reflns_number_gt                3423
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0536P)²+17.9730P] 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         4511
_refine_ls_number_parameters     313
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0477
_refine_ls_wR_factor_ref         0.1374
_refine_ls_wR_factor_gt          0.1180
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3776(3) 0.3521(3) 0.3013(2) 0.0382(11) Uani 1 1 d . . .
C2 C 0.3243(4) 0.2569(4) 0.3675(3) 0.0666(18) Uani 1 1 d . . .
H2 H 0.3094 0.2324 0.4042 0.080 Uiso 1 1 calc R . .
C3 C 0.3094(4) 0.2212(4) 0.3149(3) 0.0591(16) Uani 1 1 d . . .
H3 H 0.2825 0.1678 0.3070 0.071 Uiso 1 1 calc R . .
C4 C 0.3348(3) 0.2820(3) 0.2117(3) 0.0431(12) Uani 1 1 d . . .
N4 N 0.2935(4) 0.2142(4) 0.1797(3) 0.0840(18) Uani 1 1 d . . .
C6 C 0.2863(5) 0.2261(5) 0.1185(3) 0.078(2) Uani 1 1 d . . .
H6 H 0.2583 0.1841 0.0951 0.093 Uiso 1 1 calc R . .
C7 C 0.3196(5) 0.2981(6) 0.0933(3) 0.085(2) Uani 1 1 d . . .
H7 H 0.3154 0.3058 0.0522 0.102 Uiso 1 1 calc R . .
C8 C 0.3601(4) 0.3608(4) 0.1279(3) 0.0643(17) Uani 1 1 d . . .
H8 H 0.3828 0.4103 0.1094 0.077 Uiso 1 1 calc R . .
C9 C 0.3831(5) 0.3997(5) 0.4066(3) 0.0750(19) Uani 1 1 d . . .
H9A H 0.4223 0.4455 0.3920 0.090 Uiso 1 1 calc R . .
H9B H 0.4133 0.3705 0.4393 0.090 Uiso 1 1 calc R . .
C10 C 0.2973(7) 0.4390(7) 0.4286(5) 0.140(5) Uani 1 1 d . . .
H10A H 0.2687 0.4711 0.3965 0.168 Uiso 1 1 calc R . .
H10B H 0.2567 0.3931 0.4412 0.168 Uiso 1 1 calc R . .
C11 C 0.3146(11) 0.4956(11) 0.4768(8) 0.231(10) Uani 1 1 d D . .
H11A H 0.3358 0.5501 0.4601 0.277 Uiso 1 1 calc R . .
H11B H 0.3643 0.4708 0.4991 0.277 Uiso 1 1 calc R . .
C12 C 0.2449(16) 0.5169(12) 0.5198(8) 0.335(16) Uani 1 1 d D . .
H12A H 0.1967 0.4757 0.5163 0.502 Uiso 1 1 calc R . .
H12B H 0.2227 0.5746 0.5120 0.502 Uiso 1 1 calc R . .
H12C H 0.2693 0.5146 0.5594 0.502 Uiso 1 1 calc R . .
C13 C 0.5586(3) 0.4624(4) 0.2846(3) 0.0488(13) Uani 1 1 d . . .
C14 C 0.5103(4) 0.5436(4) 0.2865(3) 0.0562(15) Uani 1 1 d . . .
C15 C 0.4955(3) 0.5707(3) 0.2258(3) 0.0497(13) Uani 1 1 d . . .
C16 C 0.5292(3) 0.5070(3) 0.1873(2) 0.0431(12) Uani 1 1 d . . .
C17 C 0.5657(3) 0.4375(3) 0.2234(3) 0.0424(12) Uani 1 1 d . . .
C18 C 0.6144(4) 0.3600(4) 0.1998(3) 0.0584(15) Uani 1 1 d . . .
H18A H 0.6741 0.3767 0.1883 0.088 Uiso 1 1 calc R . .
H18B H 0.5831 0.3375 0.1656 0.088 Uiso 1 1 calc R . .
H18C H 0.6175 0.3159 0.2301 0.088 Uiso 1 1 calc R . .
C19 C 0.5348(5) 0.5127(4) 0.1210(3) 0.0672(17) Uani 1 1 d . . .
H19A H 0.4841 0.5446 0.1061 0.101 Uiso 1 1 calc R . .
H19B H 0.5348 0.4551 0.1044 0.101 Uiso 1 1 calc R . .
H19C H 0.5891 0.5422 0.1099 0.101 Uiso 1 1 calc R . .
C20 C 0.4517(5) 0.6539(4) 0.2070(4) 0.074(2) Uani 1 1 d . . .
H20A H 0.4965 0.6985 0.2028 0.111 Uiso 1 1 calc R . .
H20B H 0.4088 0.6713 0.2367 0.111 Uiso 1 1 calc R . .
H20C H 0.4218 0.6454 0.1695 0.111 Uiso 1 1 calc R . .
C21 C 0.4895(5) 0.5983(5) 0.3401(3) 0.086(2) Uani 1 1 d . . .
H21A H 0.5032 0.5660 0.3756 0.129 Uiso 1 1 calc R . .
H21B H 0.4269 0.6133 0.3399 0.129 Uiso 1 1 calc R . .
H21C H 0.5249 0.6505 0.3390 0.129 Uiso 1 1 calc R . .
C22 C 0.5995(4) 0.4139(5) 0.3353(3) 0.077(2) Uani 1 1 d . . .
H22A H 0.6635 0.4200 0.3339 0.115 Uiso 1 1 calc R . .
H22B H 0.5839 0.3533 0.3323 0.115 Uiso 1 1 calc R . .
H22C H 0.5773 0.4370 0.3722 0.115 Uiso 1 1 calc R . .
Cl1 Cl 0.28226(9) 0.51575(9) 0.25331(7) 0.0576(4) Uani 1 1 d . . .
F1 F -0.0309(5) 0.2051(6) 0.0219(4) 0.187(3) Uani 1 1 d . . .
F2 F 0.0784(6) 0.2664(8) 0.0620(4) 0.260(6) Uani 1 1 d . . .
F3 F 0.1021(6) 0.1448(5) 0.0231(5) 0.238(5) Uani 1 1 d . . .
F4 F 0.1615(5) 0.2529(5) -0.0169(4) 0.190(3) Uani 1 1 d . . .
F5 F 0.0500(7) 0.1989(8) -0.0608(3) 0.241(5) Uani 1 1 d . . .
F6 F 0.0238(7) 0.3165(5) -0.0178(4) 0.215(4) Uani 1 1 d . . .
N1 N 0.3682(3) 0.3536(3) 0.18686(19) 0.0426(10) Uani 1 1 d . . .
N2 N 0.3428(3) 0.2810(3) 0.2736(2) 0.0442(10) Uani 1 1 d . . .
N3 N 0.3662(3) 0.3379(3) 0.3591(2) 0.0524(11) Uani 1 1 d . . .
P1 P 0.06381(14) 0.23165(14) 0.00121(8) 0.0724(5) Uani 1 1 d . . .
Rh1 Rh 0.42587(2) 0.44616(2) 0.246293(16) 0.03333(16) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N3 1.326(7) . ?
C1 N2 1.357(6) . ?
C1 Rh1 2.029(5) . ?
C2 C3 1.320(9) . ?
C2 N3 1.403(8) . ?
C2 H2 0.9300 . ?
C3 N2 1.393(7) . ?
C3 H3 0.9300 . ?
C4 N1 1.327(6) . ?
C4 N2 1.393(7) . ?
C4 N4 1.405(7) . ?
N4 C6 1.388(9) . ?
C6 C7 1.335(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(9) . ?
C7 H7 0.9300 . ?
C8 N1 1.331(7) . ?
C8 H8 0.9300 . ?
C9 N3 1.446(8) . ?
C9 C10 1.497(12) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.410(15) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.454(16) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C17 1.428(8) . ?
C13 C14 1.440(8) . ?
C13 C22 1.487(8) . ?
C13 Rh1 2.171(5) . ?
C14 C15 1.440(9) . ?
C14 C21 1.497(8) . ?
C14 Rh1 2.152(5) . ?
C15 C16 1.397(8) . ?
C15 C20 1.493(8) . ?
C15 Rh1 2.221(5) . ?
C16 C17 1.446(7) . ?
C16 C19 1.489(8) . ?
C16 Rh1 2.234(5) . ?
C17 C18 1.490(7) . ?
C17 Rh1 2.150(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
Cl1 Rh1 2.3963(14) . ?
F1 P1 1.540(6) . ?
F2 P1 1.480(6) . ?
F3 P1 1.530(7) . ?
F4 P1 1.546(7) . ?
F5 P1 1.493(6) . ?
F6 P1 1.493(7) . ?
N1 Rh1 2.129(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 C1 N2 105.4(4) . . ?
N3 C1 Rh1 139.1(4) . . ?
N2 C1 Rh1 115.4(4) . . ?
C3 C2 N3 108.7(5) . . ?
C3 C2 H2 125.6 . . ?
N3 C2 H2 125.6 . . ?
C2 C3 N2 105.2(5) . . ?
C2 C3 H3 127.4 . . ?
N2 C3 H3 127.4 . . ?
N1 C4 N2 113.3(4) . . ?
N1 C4 N4 124.2(6) . . ?
N2 C4 N4 122.5(5) . . ?
C6 N4 C4 116.1(6) . . ?
C7 C6 N4 119.9(6) . . ?
C7 C6 H6 120.0 . . ?
N4 C6 H6 120.0 . . ?
C6 C7 C8 120.1(7) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
N1 C8 C7 122.8(6) . . ?
N1 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
N3 C9 C10 111.0(6) . . ?
N3 C9 H9A 109.4 . . ?
C10 C9 H9A 109.4 . . ?
N3 C9 H9B 109.4 . . ?
C10 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C11 C10 C9 110.1(10) . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C12 121.0(13) . . ?
C10 C11 H11A 107.1 . . ?
C12 C11 H11A 107.1 . . ?
C10 C11 H11B 107.1 . . ?
C12 C11 H11B 107.1 . . ?
H11A C11 H11B 106.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C17 C13 C14 107.2(5) . . ?
C17 C13 C22 124.7(6) . . ?
C14 C13 C22 127.9(6) . . ?
C17 C13 Rh1 69.9(3) . . ?
C14 C13 Rh1 69.8(3) . . ?
C22 C13 Rh1 128.1(4) . . ?
C13 C14 C15 107.4(5) . . ?
C13 C14 C21 127.7(6) . . ?
C15 C14 C21 124.4(6) . . ?
C13 C14 Rh1 71.3(3) . . ?
C15 C14 Rh1 73.4(3) . . ?
C21 C14 Rh1 127.1(4) . . ?
C16 C15 C14 109.1(5) . . ?
C16 C15 C20 125.4(6) . . ?
C14 C15 C20 125.4(6) . . ?
C16 C15 Rh1 72.2(3) . . ?
C14 C15 Rh1 68.2(3) . . ?
C20 C15 Rh1 126.1(4) . . ?
C15 C16 C17 107.7(5) . . ?
C15 C16 C19 126.5(5) . . ?
C17 C16 C19 125.5(5) . . ?
C15 C16 Rh1 71.2(3) . . ?
C17 C16 Rh1 67.6(3) . . ?
C19 C16 Rh1 130.8(4) . . ?
C13 C17 C16 108.3(5) . . ?
C13 C17 C18 126.2(5) . . ?
C16 C17 C18 124.9(5) . . ?
C13 C17 Rh1 71.5(3) . . ?
C16 C17 Rh1 73.9(3) . . ?
C18 C17 Rh1 127.3(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C21 H21A 109.5 . . ?
C14 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C14 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C13 C22 H22A 109.5 . . ?
C13 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C13 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C4 N1 C8 116.8(5) . . ?
C4 N1 Rh1 116.1(3) . . ?
C8 N1 Rh1 127.0(4) . . ?
C1 N2 C3 111.2(5) . . ?
C1 N2 C4 118.6(4) . . ?
C3 N2 C4 129.6(5) . . ?
C1 N3 C2 109.5(5) . . ?
C1 N3 C9 126.1(5) . . ?
C2 N3 C9 124.0(5) . . ?
F2 P1 F6 90.5(6) . . ?
F2 P1 F5 178.5(7) . . ?
F6 P1 F5 88.4(6) . . ?
F2 P1 F3 87.9(7) . . ?
F6 P1 F3 177.5(5) . . ?
F5 P1 F3 93.3(6) . . ?
F2 P1 F1 87.3(5) . . ?
F6 P1 F1 87.2(5) . . ?
F5 P1 F1 93.7(5) . . ?
F3 P1 F1 90.9(5) . . ?
F2 P1 F4 91.6(5) . . ?
F6 P1 F4 96.7(5) . . ?
F5 P1 F4 87.5(5) . . ?
F3 P1 F4 85.2(5) . . ?
F1 P1 F4 176.0(5) . . ?
C1 Rh1 N1 76.26(19) . . ?
C1 Rh1 C17 116.38(19) . . ?
N1 Rh1 C17 101.60(18) . . ?
C1 Rh1 C14 116.5(2) . . ?
N1 Rh1 C14 164.13(19) . . ?
C17 Rh1 C14 64.9(2) . . ?
C1 Rh1 C13 99.4(2) . . ?
N1 Rh1 C13 133.79(19) . . ?
C17 Rh1 C13 38.6(2) . . ?
C14 Rh1 C13 38.9(2) . . ?
C1 Rh1 C15 154.5(2) . . ?
N1 Rh1 C15 129.3(2) . . ?
C17 Rh1 C15 63.34(19) . . ?
C14 Rh1 C15 38.4(2) . . ?
C13 Rh1 C15 63.8(2) . . ?
C1 Rh1 C16 154.27(18) . . ?
N1 Rh1 C16 100.73(18) . . ?
C17 Rh1 C16 38.45(19) . . ?
C14 Rh1 C16 63.6(2) . . ?
C13 Rh1 C16 63.8(2) . . ?
C15 Rh1 C16 36.55(19) . . ?
C1 Rh1 Cl1 87.72(13) . . ?
N1 Rh1 Cl1 88.72(11) . . ?
C17 Rh1 Cl1 155.32(14) . . ?
C14 Rh1 Cl1 100.68(16) . . ?
C13 Rh1 Cl1 137.45(16) . . ?
C15 Rh1 Cl1 92.73(15) . . ?
C16 Rh1 Cl1 117.92(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
N3 C2 C3 N2 0.1(7) . . . . ?
N1 C4 N4 C6 -1.8(9) . . . . ?
N2 C4 N4 C6 176.8(5) . . . . ?
C4 N4 C6 C7 1.5(10) . . . . ?
N4 C6 C7 C8 -0.7(12) . . . . ?
C6 C7 C8 N1 0.0(12) . . . . ?
N3 C9 C10 C11 176.9(11) . . . . ?
C9 C10 C11 C12 -157.2(19) . . . . ?
C17 C13 C14 C15 -4.8(5) . . . . ?
C22 C13 C14 C15 171.7(5) . . . . ?
Rh1 C13 C14 C15 -65.0(3) . . . . ?
C17 C13 C14 C21 -176.9(5) . . . . ?
C22 C13 C14 C21 -0.3(9) . . . . ?
Rh1 C13 C14 C21 122.9(6) . . . . ?
C17 C13 C14 Rh1 60.2(3) . . . . ?
C22 C13 C14 Rh1 -123.2(6) . . . . ?
C13 C14 C15 C16 2.7(6) . . . . ?
C21 C14 C15 C16 175.1(5) . . . . ?
Rh1 C14 C15 C16 -60.9(4) . . . . ?
C13 C14 C15 C20 -176.8(5) . . . . ?
C21 C14 C15 C20 -4.4(8) . . . . ?
Rh1 C14 C15 C20 119.6(5) . . . . ?
C13 C14 C15 Rh1 63.6(3) . . . . ?
C21 C14 C15 Rh1 -124.0(5) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C20 C15 C16 C17 180.0(5) . . . . ?
Rh1 C15 C16 C17 -58.0(3) . . . . ?
C14 C15 C16 C19 -174.2(5) . . . . ?
C20 C15 C16 C19 5.3(9) . . . . ?
Rh1 C15 C16 C19 127.4(6) . . . . ?
C14 C15 C16 Rh1 58.4(3) . . . . ?
C20 C15 C16 Rh1 -122.1(5) . . . . ?
C14 C13 C17 C16 5.1(5) . . . . ?
C22 C13 C17 C16 -171.6(5) . . . . ?
Rh1 C13 C17 C16 65.3(3) . . . . ?
C14 C13 C17 C18 176.7(5) . . . . ?
C22 C13 C17 C18 -0.1(8) . . . . ?
Rh1 C13 C17 C18 -123.2(5) . . . . ?
C14 C13 C17 Rh1 -60.1(3) . . . . ?
C22 C13 C17 Rh1 123.1(5) . . . . ?
C15 C16 C17 C13 -3.5(5) . . . . ?
C19 C16 C17 C13 171.2(5) . . . . ?
Rh1 C16 C17 C13 -63.7(3) . . . . ?
C15 C16 C17 C18 -175.1(5) . . . . ?
C19 C16 C17 C18 -0.5(8) . . . . ?
Rh1 C16 C17 C18 124.6(5) . . . . ?
C15 C16 C17 Rh1 60.2(4) . . . . ?
C19 C16 C17 Rh1 -125.1(5) . . . . ?
N2 C4 N1 C8 -177.7(5) . . . . ?
N4 C4 N1 C8 1.1(8) . . . . ?
N2 C4 N1 Rh1 0.7(5) . . . . ?
N4 C4 N1 Rh1 179.5(4) . . . . ?
C7 C8 N1 C4 -0.1(9) . . . . ?
C7 C8 N1 Rh1 -178.3(5) . . . . ?
N3 C1 N2 C3 -0.2(6) . . . . ?
Rh1 C1 N2 C3 -178.5(3) . . . . ?
N3 C1 N2 C4 172.0(4) . . . . ?
Rh1 C1 N2 C4 -6.3(5) . . . . ?
C2 C3 N2 C1 0.1(6) . . . . ?
C2 C3 N2 C4 -171.0(5) . . . . ?
N1 C4 N2 C1 3.6(6) . . . . ?
N4 C4 N2 C1 -175.2(5) . . . . ?
N1 C4 N2 C3 174.1(5) . . . . ?
N4 C4 N2 C3 -4.6(8) . . . . ?
N2 C1 N3 C2 0.2(6) . . . . ?
Rh1 C1 N3 C2 177.9(4) . . . . ?
N2 C1 N3 C9 -172.3(5) . . . . ?
Rh1 C1 N3 C9 5.3(9) . . . . ?
C3 C2 N3 C1 -0.2(7) . . . . ?
C3 C2 N3 C9 172.5(6) . . . . ?
C10 C9 N3 C1 101.8(8) . . . . ?
C10 C9 N3 C2 -69.7(9) . . . . ?
N3 C1 Rh1 N1 -172.7(6) . . . . ?
N2 C1 Rh1 N1 4.8(3) . . . . ?
N3 C1 Rh1 C17 91.0(6) . . . . ?
N2 C1 Rh1 C17 -91.5(4) . . . . ?
N3 C1 Rh1 C14 17.4(6) . . . . ?
N2 C1 Rh1 C14 -165.1(3) . . . . ?
N3 C1 Rh1 C13 54.4(6) . . . . ?
N2 C1 Rh1 C13 -128.1(4) . . . . ?
N3 C1 Rh1 C15 8.1(8) . . . . ?
N2 C1 Rh1 C15 -174.4(4) . . . . ?
N3 C1 Rh1 C16 101.1(7) . . . . ?
N2 C1 Rh1 C16 -81.4(6) . . . . ?
N3 C1 Rh1 Cl1 -83.4(6) . . . . ?
N2 C1 Rh1 Cl1 94.1(3) . . . . ?
C4 N1 Rh1 C1 -3.0(4) . . . . ?
C8 N1 Rh1 C1 175.2(5) . . . . ?
C4 N1 Rh1 C17 111.6(4) . . . . ?
C8 N1 Rh1 C17 -70.2(5) . . . . ?
C4 N1 Rh1 C14 142.2(7) . . . . ?
C8 N1 Rh1 C14 -39.6(10) . . . . ?
C4 N1 Rh1 C13 86.9(4) . . . . ?
C8 N1 Rh1 C13 -94.9(5) . . . . ?
C4 N1 Rh1 C15 176.5(3) . . . . ?
C8 N1 Rh1 C15 -5.3(6) . . . . ?
C4 N1 Rh1 C16 150.8(3) . . . . ?
C8 N1 Rh1 C16 -31.0(5) . . . . ?
C4 N1 Rh1 Cl1 -91.0(3) . . . . ?
C8 N1 Rh1 Cl1 87.2(5) . . . . ?
C13 C17 Rh1 C1 -70.8(4) . . . . ?
C16 C17 Rh1 C1 173.0(3) . . . . ?
C18 C17 Rh1 C1 51.1(6) . . . . ?
C13 C17 Rh1 N1 -151.1(3) . . . . ?
C16 C17 Rh1 N1 92.7(3) . . . . ?
C18 C17 Rh1 N1 -29.2(6) . . . . ?
C13 C17 Rh1 C14 37.7(3) . . . . ?
C16 C17 Rh1 C14 -78.4(3) . . . . ?
C18 C17 Rh1 C14 159.7(6) . . . . ?
C16 C17 Rh1 C13 -116.2(4) . . . . ?
C18 C17 Rh1 C13 121.9(7) . . . . ?
C13 C17 Rh1 C15 80.6(4) . . . . ?
C16 C17 Rh1 C15 -35.6(3) . . . . ?
C18 C17 Rh1 C15 -157.5(6) . . . . ?
C13 C17 Rh1 C16 116.2(4) . . . . ?
C18 C17 Rh1 C16 -121.9(7) . . . . ?
C13 C17 Rh1 Cl1 95.8(5) . . . . ?
C16 C17 Rh1 Cl1 -20.4(6) . . . . ?
C18 C17 Rh1 Cl1 -142.3(4) . . . . ?
C13 C14 Rh1 C1 70.9(4) . . . . ?
C15 C14 Rh1 C1 -173.6(3) . . . . ?
C21 C14 Rh1 C1 -52.7(7) . . . . ?
C13 C14 Rh1 N1 -70.8(9) . . . . ?
C15 C14 Rh1 N1 44.6(9) . . . . ?
C21 C14 Rh1 N1 165.5(6) . . . . ?
C13 C14 Rh1 C17 -37.4(3) . . . . ?
C15 C14 Rh1 C17 78.0(3) . . . . ?
C21 C14 Rh1 C17 -161.0(7) . . . . ?
C15 C14 Rh1 C13 115.5(5) . . . . ?
C21 C14 Rh1 C13 -123.6(8) . . . . ?
C13 C14 Rh1 C15 -115.5(5) . . . . ?
C21 C14 Rh1 C15 120.9(8) . . . . ?
C13 C14 Rh1 C16 -80.3(3) . . . . ?
C15 C14 Rh1 C16 35.2(3) . . . . ?
C21 C14 Rh1 C16 156.1(7) . . . . ?
C13 C14 Rh1 Cl1 163.7(3) . . . . ?
C15 C14 Rh1 Cl1 -80.8(3) . . . . ?
C21 C14 Rh1 Cl1 40.1(7) . . . . ?
C17 C13 Rh1 C1 120.9(3) . . . . ?
C14 C13 Rh1 C1 -121.0(3) . . . . ?
C22 C13 Rh1 C1 2.0(6) . . . . ?
C17 C13 Rh1 N1 41.0(4) . . . . ?
C14 C13 Rh1 N1 159.0(3) . . . . ?
C22 C13 Rh1 N1 -78.0(6) . . . . ?
C14 C13 Rh1 C17 118.1(5) . . . . ?
C22 C13 Rh1 C17 -118.9(7) . . . . ?
C17 C13 Rh1 C14 -118.1(5) . . . . ?
C22 C13 Rh1 C14 123.0(7) . . . . ?
C17 C13 Rh1 C15 -79.4(3) . . . . ?
C14 C13 Rh1 C15 38.7(3) . . . . ?
C22 C13 Rh1 C15 161.7(7) . . . . ?
C17 C13 Rh1 C16 -38.5(3) . . . . ?
C14 C13 Rh1 C16 79.6(4) . . . . ?
C22 C13 Rh1 C16 -157.4(7) . . . . ?
C17 C13 Rh1 Cl1 -142.1(3) . . . . ?
C14 C13 Rh1 Cl1 -24.0(4) . . . . ?
C22 C13 Rh1 Cl1 99.0(6) . . . . ?
C16 C15 Rh1 C1 133.3(4) . . . . ?
C14 C15 Rh1 C1 13.4(6) . . . . ?
C20 C15 Rh1 C1 -105.4(7) . . . . ?
C16 C15 Rh1 N1 -45.7(4) . . . . ?
C14 C15 Rh1 N1 -165.6(3) . . . . ?
C20 C15 Rh1 N1 75.6(6) . . . . ?
C16 C15 Rh1 C17 37.4(3) . . . . ?
C14 C15 Rh1 C17 -82.5(3) . . . . ?
C20 C15 Rh1 C17 158.8(7) . . . . ?
C16 C15 Rh1 C14 119.9(5) . . . . ?
C20 C15 Rh1 C14 -118.7(7) . . . . ?
C16 C15 Rh1 C13 80.7(3) . . . . ?
C14 C15 Rh1 C13 -39.2(3) . . . . ?
C20 C15 Rh1 C13 -157.9(7) . . . . ?
C14 C15 Rh1 C16 -119.9(5) . . . . ?
C20 C15 Rh1 C16 121.3(7) . . . . ?
C16 C15 Rh1 Cl1 -136.3(3) . . . . ?
C14 C15 Rh1 Cl1 103.8(3) . . . . ?
C20 C15 Rh1 Cl1 -14.9(6) . . . . ?
C15 C16 Rh1 C1 -133.7(5) . . . . ?
C17 C16 Rh1 C1 -14.6(6) . . . . ?
C19 C16 Rh1 C1 103.8(6) . . . . ?
C15 C16 Rh1 N1 145.7(3) . . . . ?
C17 C16 Rh1 N1 -95.2(3) . . . . ?
C19 C16 Rh1 N1 23.2(6) . . . . ?
C15 C16 Rh1 C17 -119.2(5) . . . . ?
C19 C16 Rh1 C17 118.4(6) . . . . ?
C15 C16 Rh1 C14 -37.0(3) . . . . ?
C17 C16 Rh1 C14 82.2(3) . . . . ?
C19 C16 Rh1 C14 -159.4(6) . . . . ?
C15 C16 Rh1 C13 -80.6(4) . . . . ?
C17 C16 Rh1 C13 38.6(3) . . . . ?
C19 C16 Rh1 C13 157.0(6) . . . . ?
C17 C16 Rh1 C15 119.2(5) . . . . ?
C19 C16 Rh1 C15 -122.5(7) . . . . ?
C15 C16 Rh1 Cl1 51.4(4) . . . . ?
C17 C16 Rh1 Cl1 170.5(3) . . . . ?
C19 C16 Rh1 Cl1 -71.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.710
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.095

#===END
