# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_160614_yxf160525_B
_database_code_depnum_ccdc_archive 'CCDC 1883809'
loop_
_audit_author_name
_audit_author_address
'Wanzhi Chen'
;Zhejiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H34 N14 Rh2, 4(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C42 H40 F24 N16 P4 Rh2'
_chemical_formula_weight         1554.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7295(8)
_cell_length_b                   12.2235(6)
_cell_length_c                   12.5730(7)
_cell_angle_alpha                79.434(4)
_cell_angle_beta                 73.363(5)
_cell_angle_gamma                65.209(6)
_cell_volume                     1430.54(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3350
_cell_measurement_theta_min      3.3253
_cell_measurement_theta_max      29.4529

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_F_000             770
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.430
_exptl_crystal_size_min          0.290
_exptl_absorpt_coefficient_mu    0.816
_shelx_estimated_absorpt_T_min   0.695
_shelx_estimated_absorpt_T_max   0.798
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6953
_exptl_absorpt_correction_T_max  0.7977
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8880
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.332
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             5027
_reflns_number_gt                4298
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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


_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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     
'w=1/[σ²(Fo²)+(0.0684P)²+2.3994P] 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         5027
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0519
_refine_ls_wR_factor_ref         0.1424
_refine_ls_wR_factor_gt          0.1294
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.08437(4) 0.45396(3) 0.57421(3) 0.03177(16) Uani 1 1 d . . . . .
N1 N 0.0472(4) 0.2860(4) 0.6382(3) 0.0391(10) Uani 1 1 d . . . . .
N2 N -0.1415(5) 0.4289(4) 0.7457(4) 0.0464(11) Uani 1 1 d . . . . .
N3 N -0.1610(4) 0.6150(4) 0.7279(4) 0.0460(11) Uani 1 1 d . . . . .
N4 N -0.0057(5) 0.7112(4) 0.6105(4) 0.0446(11) Uani 1 1 d . . . . .
N5 N 0.1953(5) 0.6345(4) 0.4950(4) 0.0428(10) Uani 1 1 d . . . . .
N6 N 0.2903(4) 0.4340(4) 0.4576(3) 0.0367(9) Uani 1 1 d . . . . .
N7 N 0.2014(5) 0.3953(4) 0.7034(4) 0.0427(10) Uani 1 1 d . . . . .
C1 C 0.1282(6) 0.1705(5) 0.6166(5) 0.0504(14) Uani 1 1 d . . . . .
H1 H 0.210083 0.154027 0.560074 0.061 Uiso 1 1 calc R U . . .
C2 C 0.0956(8) 0.0758(6) 0.6742(6) 0.0696(19) Uani 1 1 d . . . . .
H2 H 0.155051 -0.003148 0.657422 0.084 Uiso 1 1 calc R U . . .
C3 C -0.0253(10) 0.0986(7) 0.7566(7) 0.086(2) Uani 1 1 d . . . . .
H3 H -0.050281 0.035485 0.795424 0.103 Uiso 1 1 calc R U . . .
C4 C -0.1099(8) 0.2164(7) 0.7814(5) 0.0694(19) Uani 1 1 d . . . . .
H4 H -0.192992 0.234432 0.836732 0.083 Uiso 1 1 calc R U . . .
C5 C -0.0685(6) 0.3064(5) 0.7225(4) 0.0469(13) Uani 1 1 d . . . . .
C6 C -0.2543(6) 0.4894(7) 0.8307(5) 0.0667(19) Uani 1 1 d . . . . .
H6 H -0.309887 0.455837 0.885573 0.080 Uiso 1 1 calc R U . . .
C7 C -0.2671(6) 0.6026(7) 0.8188(5) 0.067(2) Uani 1 1 d . . . . .
H7 H -0.335016 0.663814 0.863140 0.080 Uiso 1 1 calc R U . . .
C9 C -0.1419(6) 0.7276(5) 0.6852(5) 0.0552(16) Uani 1 1 d . . . . .
H9A H -0.215142 0.777837 0.646190 0.066 Uiso 1 1 calc R U . . .
H9B H -0.153667 0.770306 0.747479 0.066 Uiso 1 1 calc R U . . .
C11 C 0.0519(7) 0.7989(5) 0.5759(6) 0.0602(17) Uani 1 1 d . . . . .
H11 H 0.010082 0.877240 0.598553 0.072 Uiso 1 1 calc R U . . .
C12 C 0.1752(7) 0.7522(5) 0.5059(6) 0.0576(16) Uani 1 1 d . . . . .
H12 H 0.236683 0.790479 0.470805 0.069 Uiso 1 1 calc R U . . .
C14 C 0.4342(6) 0.5474(6) 0.3767(5) 0.0594(16) Uani 1 1 d . . . . .
H14 H 0.443898 0.621020 0.365224 0.071 Uiso 1 1 calc R U . . .
C15 C 0.5416(7) 0.4458(7) 0.3308(6) 0.0701(19) Uani 1 1 d . . . . .
H15 H 0.625736 0.449974 0.286912 0.084 Uiso 1 1 calc R U . . .
C16 C 0.5248(6) 0.3386(6) 0.3497(5) 0.0609(17) Uani 1 1 d . . . . .
H16 H 0.597400 0.268919 0.320049 0.073 Uiso 1 1 calc R U . . .
C17 C 0.3992(5) 0.3359(5) 0.4129(5) 0.0464(13) Uani 1 1 d . . . . .
H17 H 0.388216 0.262678 0.425733 0.056 Uiso 1 1 calc R U . . .
C8 C -0.0870(5) 0.5081(5) 0.6841(4) 0.0388(12) Uani 1 1 d . . . . .
C10 C 0.0833(5) 0.6118(4) 0.5576(4) 0.0380(11) Uani 1 1 d . . . . .
C13 C 0.3120(5) 0.5365(5) 0.4401(4) 0.0422(12) Uani 1 1 d . . . . .
C19 C 0.2837(8) 0.3428(7) 0.8858(6) 0.075(2) Uani 1 1 d . . . . .
H19A H 0.251656 0.282960 0.930819 0.113 Uiso 1 1 calc R U . . .
H19B H 0.245646 0.414170 0.925551 0.113 Uiso 1 1 calc R U . . .
H19C H 0.384973 0.311663 0.868996 0.113 Uiso 1 1 calc R U . . .
C18 C 0.2360(6) 0.3729(5) 0.7820(5) 0.0479(14) Uani 1 1 d . . . . .
P1 P 0.9267(2) 0.27042(17) 0.09175(15) 0.0671(5) Uani 1 1 d . . . . .
F1 F 0.9796(8) 0.3271(9) -0.0210(6) 0.185(4) Uani 1 1 d . . . . .
F2 F 0.7727(6) 0.3492(5) 0.0775(5) 0.125(2) Uani 1 1 d . . . . .
F3 F 0.9163(8) 0.3669(5) 0.1603(7) 0.181(4) Uani 1 1 d . . . . .
F4 F 0.8668(8) 0.2078(6) 0.2021(5) 0.164(3) Uani 1 1 d . . . . .
F5 F 1.0775(6) 0.1916(5) 0.1085(6) 0.141(2) Uani 1 1 d . . . . .
F6 F 0.9338(7) 0.1656(6) 0.0314(6) 0.152(3) Uani 1 1 d . . . . .
P2 P 0.57515(19) 0.05712(14) 0.67063(19) 0.0723(6) Uani 1 1 d . . . . .
F9 F 0.5818(7) 0.1714(5) 0.7023(9) 0.186(4) Uani 1 1 d . . . . .
F7 F 0.7401(5) 0.0090(4) 0.6259(6) 0.144(3) Uani 1 1 d . . . . .
F11 F 0.6015(9) -0.0190(8) 0.7784(6) 0.191(4) Uani 1 1 d . . . . .
F12 F 0.5771(6) -0.0562(5) 0.6342(8) 0.172(3) Uani 1 1 d . . . . .
F10 F 0.4156(6) 0.1045(5) 0.7127(9) 0.215(5) Uani 1 1 d . . . . .
F8 F 0.5618(11) 0.1323(9) 0.5610(9) 0.241(5) Uani 1 1 d . . . . .
N8 N 0.5626(9) 0.2559(12) -0.0052(9) 0.138(4) Uani 1 1 d . . . . .
C20 C 0.7115(14) 0.0368(11) 0.0492(13) 0.186(7) Uani 1 1 d . . . . .
H20A H 0.791149 0.005429 -0.011733 0.280 Uiso 1 1 calc R U . . .
H20B H 0.656379 -0.011629 0.065932 0.280 Uiso 1 1 calc R U . . .
H20C H 0.744176 0.034732 0.113368 0.280 Uiso 1 1 calc R U . . .
C21 C 0.6265(11) 0.1587(14) 0.0193(10) 0.116(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 C8 1.894(5) . ?
Rh1 C10 1.898(5) . ?
Rh1 N7 2.171(5) . ?
Rh1 N6 2.217(4) . ?
Rh1 N1 2.218(4) . ?
Rh1 Rh1 2.7354(7) 2_566 ?
N1 C1 1.341(7) . ?
N1 C5 1.345(7) . ?
N2 C8 1.349(7) . ?
N2 C6 1.398(7) . ?
N2 C5 1.410(7) . ?
N3 C8 1.336(7) . ?
N3 C7 1.401(8) . ?
N3 C9 1.458(8) . ?
N4 C10 1.337(6) . ?
N4 C11 1.397(8) . ?
N4 C9 1.447(8) . ?
N5 C10 1.341(7) . ?
N5 C12 1.390(7) . ?
N5 C13 1.425(7) . ?
N6 C13 1.337(7) . ?
N6 C17 1.347(6) . ?
N7 C18 1.103(7) . ?
C1 C2 1.369(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(8) . ?
C4 H4 0.9300 . ?
C6 C7 1.316(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 C12 1.317(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C13 1.371(8) . ?
C14 C15 1.373(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.366(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.365(8) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C19 C18 1.466(9) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
P1 F1 1.524(6) . ?
P1 F3 1.535(5) . ?
P1 F5 1.551(5) . ?
P1 F4 1.560(6) . ?
P1 F2 1.568(5) . ?
P1 F6 1.570(6) . ?
P2 F8 1.518(7) . ?
P2 F10 1.519(6) . ?
P2 F11 1.522(7) . ?
P2 F12 1.527(6) . ?
P2 F9 1.555(6) . ?
P2 F7 1.573(5) . ?
N8 C21 1.132(15) . ?
C20 C21 1.430(16) . ?
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
C8 Rh1 C10 88.6(2) . . ?
C8 Rh1 N7 89.74(19) . . ?
C10 Rh1 N7 92.72(18) . . ?
C8 Rh1 N6 164.3(2) . . ?
C10 Rh1 N6 76.80(19) . . ?
N7 Rh1 N6 85.31(16) . . ?
C8 Rh1 N1 76.9(2) . . ?
C10 Rh1 N1 164.34(19) . . ?
N7 Rh1 N1 81.60(16) . . ?
N6 Rh1 N1 116.96(15) . . ?
C8 Rh1 Rh1 85.00(14) . 2_566 ?
C10 Rh1 Rh1 84.22(15) . 2_566 ?
N7 Rh1 Rh1 173.98(12) . 2_566 ?
N6 Rh1 Rh1 99.00(10) . 2_566 ?
N1 Rh1 Rh1 100.01(11) . 2_566 ?
C1 N1 C5 117.0(5) . . ?
C1 N1 Rh1 130.9(4) . . ?
C5 N1 Rh1 111.5(3) . . ?
C8 N2 C6 108.5(5) . . ?
C8 N2 C5 117.5(4) . . ?
C6 N2 C5 133.5(5) . . ?
C8 N3 C7 108.1(5) . . ?
C8 N3 C9 126.4(5) . . ?
C7 N3 C9 125.4(5) . . ?
C10 N4 C11 108.1(5) . . ?
C10 N4 C9 126.0(5) . . ?
C11 N4 C9 125.8(5) . . ?
C10 N5 C12 109.6(5) . . ?
C10 N5 C13 117.3(4) . . ?
C12 N5 C13 132.8(5) . . ?
C13 N6 C17 116.4(5) . . ?
C13 N6 Rh1 111.9(3) . . ?
C17 N6 Rh1 131.3(4) . . ?
C18 N7 Rh1 166.6(5) . . ?
N1 C1 C2 122.9(6) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.0(6) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.4(7) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
N1 C5 C4 123.3(6) . . ?
N1 C5 N2 113.5(5) . . ?
C4 C5 N2 123.3(6) . . ?
C7 C6 N2 107.2(6) . . ?
C7 C6 H6 126.4 . . ?
N2 C6 H6 126.4 . . ?
C6 C7 N3 108.3(5) . . ?
C6 C7 H7 125.8 . . ?
N3 C7 H7 125.8 . . ?
N4 C9 N3 114.0(4) . . ?
N4 C9 H9A 108.8 . . ?
N3 C9 H9A 108.8 . . ?
N4 C9 H9B 108.8 . . ?
N3 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C12 C11 N4 108.6(5) . . ?
C12 C11 H11 125.7 . . ?
N4 C11 H11 125.7 . . ?
C11 C12 N5 106.4(5) . . ?
C11 C12 H12 126.8 . . ?
N5 C12 H12 126.8 . . ?
C13 C14 C15 117.7(6) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 118.6(6) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
N6 C17 C16 123.3(5) . . ?
N6 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
N3 C8 N2 107.9(4) . . ?
N3 C8 Rh1 130.8(4) . . ?
N2 C8 Rh1 120.5(4) . . ?
N4 C10 N5 107.2(4) . . ?
N4 C10 Rh1 131.5(4) . . ?
N5 C10 Rh1 120.6(4) . . ?
N6 C13 C14 124.0(5) . . ?
N6 C13 N5 113.2(4) . . ?
C14 C13 N5 122.7(5) . . ?
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 . . ?
N7 C18 C19 179.4(7) . . ?
F1 P1 F3 95.7(5) . . ?
F1 P1 F5 93.6(4) . . ?
F3 P1 F5 90.1(3) . . ?
F1 P1 F4 175.2(5) . . ?
F3 P1 F4 88.6(5) . . ?
F5 P1 F4 88.6(4) . . ?
F1 P1 F2 87.6(4) . . ?
F3 P1 F2 89.6(3) . . ?
F5 P1 F2 178.7(4) . . ?
F4 P1 F2 90.1(4) . . ?
F1 P1 F6 89.3(5) . . ?
F3 P1 F6 175.1(5) . . ?
F5 P1 F6 89.2(3) . . ?
F4 P1 F6 86.5(4) . . ?
F2 P1 F6 91.0(4) . . ?
F8 P2 F10 91.2(5) . . ?
F8 P2 F11 175.1(5) . . ?
F10 P2 F11 93.4(5) . . ?
F8 P2 F12 96.7(6) . . ?
F10 P2 F12 90.9(4) . . ?
F11 P2 F12 84.9(5) . . ?
F8 P2 F9 81.8(5) . . ?
F10 P2 F9 92.3(4) . . ?
F11 P2 F9 96.4(6) . . ?
F12 P2 F9 176.5(4) . . ?
F8 P2 F7 88.2(5) . . ?
F10 P2 F7 179.4(5) . . ?
F11 P2 F7 87.2(4) . . ?
F12 P2 F7 89.2(3) . . ?
F9 P2 F7 87.6(3) . . ?
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 . . ?
N8 C21 C20 178.0(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
C5 N1 C1 C2 1.7(8) . . . . ?
Rh1 N1 C1 C2 171.8(5) . . . . ?
N1 C1 C2 C3 0.8(10) . . . . ?
C1 C2 C3 C4 -1.5(12) . . . . ?
C2 C3 C4 C5 -0.4(11) . . . . ?
C1 N1 C5 C4 -3.8(8) . . . . ?
Rh1 N1 C5 C4 -175.7(5) . . . . ?
C1 N1 C5 N2 175.1(5) . . . . ?
Rh1 N1 C5 N2 3.1(5) . . . . ?
C3 C4 C5 N1 3.1(10) . . . . ?
C3 C4 C5 N2 -175.6(6) . . . . ?
C8 N2 C5 N1 -1.2(7) . . . . ?
C6 N2 C5 N1 -171.7(6) . . . . ?
C8 N2 C5 C4 177.7(5) . . . . ?
C6 N2 C5 C4 7.2(10) . . . . ?
C8 N2 C6 C7 0.7(7) . . . . ?
C5 N2 C6 C7 171.8(6) . . . . ?
N2 C6 C7 N3 -1.4(7) . . . . ?
C8 N3 C7 C6 1.6(7) . . . . ?
C9 N3 C7 C6 177.9(5) . . . . ?
C10 N4 C9 N3 18.1(8) . . . . ?
C11 N4 C9 N3 -166.0(5) . . . . ?
C8 N3 C9 N4 -19.5(8) . . . . ?
C7 N3 C9 N4 164.9(5) . . . . ?
C10 N4 C11 C12 -1.8(7) . . . . ?
C9 N4 C11 C12 -178.2(5) . . . . ?
N4 C11 C12 N5 0.7(7) . . . . ?
C10 N5 C12 C11 0.6(7) . . . . ?
C13 N5 C12 C11 -173.2(6) . . . . ?
C13 C14 C15 C16 -0.4(10) . . . . ?
C14 C15 C16 C17 1.1(11) . . . . ?
C13 N6 C17 C16 -2.1(8) . . . . ?
Rh1 N6 C17 C16 -173.7(4) . . . . ?
C15 C16 C17 N6 0.2(10) . . . . ?
C7 N3 C8 N2 -1.2(6) . . . . ?
C9 N3 C8 N2 -177.4(5) . . . . ?
C7 N3 C8 Rh1 -170.3(4) . . . . ?
C9 N3 C8 Rh1 13.4(8) . . . . ?
C6 N2 C8 N3 0.3(6) . . . . ?
C5 N2 C8 N3 -172.4(4) . . . . ?
C6 N2 C8 Rh1 170.8(4) . . . . ?
C5 N2 C8 Rh1 -1.9(6) . . . . ?
C10 Rh1 C8 N3 -3.4(5) . . . . ?
N7 Rh1 C8 N3 89.3(5) . . . . ?
N6 Rh1 C8 N3 17.9(10) . . . . ?
N1 Rh1 C8 N3 170.8(5) . . . . ?
Rh1 Rh1 C8 N3 -87.7(5) 2_566 . . . ?
C10 Rh1 C8 N2 -171.4(4) . . . . ?
N7 Rh1 C8 N2 -78.7(4) . . . . ?
N6 Rh1 C8 N2 -150.2(5) . . . . ?
N1 Rh1 C8 N2 2.7(4) . . . . ?
Rh1 Rh1 C8 N2 104.2(4) 2_566 . . . ?
C11 N4 C10 N5 2.1(6) . . . . ?
C9 N4 C10 N5 178.5(5) . . . . ?
C11 N4 C10 Rh1 172.6(4) . . . . ?
C9 N4 C10 Rh1 -11.0(8) . . . . ?
C12 N5 C10 N4 -1.7(6) . . . . ?
C13 N5 C10 N4 173.2(4) . . . . ?
C12 N5 C10 Rh1 -173.4(4) . . . . ?
C13 N5 C10 Rh1 1.4(6) . . . . ?
C8 Rh1 C10 N4 2.3(5) . . . . ?
N7 Rh1 C10 N4 -87.4(5) . . . . ?
N6 Rh1 C10 N4 -172.0(5) . . . . ?
N1 Rh1 C10 N4 -19.3(10) . . . . ?
Rh1 Rh1 C10 N4 87.4(5) 2_566 . . . ?
C8 Rh1 C10 N5 171.7(4) . . . . ?
N7 Rh1 C10 N5 82.0(4) . . . . ?
N6 Rh1 C10 N5 -2.5(4) . . . . ?
N1 Rh1 C10 N5 150.2(5) . . . . ?
Rh1 Rh1 C10 N5 -103.2(4) 2_566 . . . ?
C17 N6 C13 C14 2.9(8) . . . . ?
Rh1 N6 C13 C14 176.1(5) . . . . ?
C17 N6 C13 N5 -176.7(4) . . . . ?
Rh1 N6 C13 N5 -3.5(5) . . . . ?
C15 C14 C13 N6 -1.7(9) . . . . ?
C15 C14 C13 N5 177.8(6) . . . . ?
C10 N5 C13 N6 1.7(7) . . . . ?
C12 N5 C13 N6 175.1(5) . . . . ?
C10 N5 C13 C14 -177.9(5) . . . . ?
C12 N5 C13 C14 -4.5(9) . . . . ?

_refine_diff_density_max         1.709
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.103

####################################################################### 
# 
# 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_160511_yxf160425C
_database_code_depnum_ccdc_archive 'CCDC 1883810'
loop_
_audit_author_name
_audit_author_address
'Wanzhi Chen'
;Zhejiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C42 H40 N16 Rh2, 4(F6 P), C4 H10 O, 3(C2 H3 N)'
_chemical_formula_sum            'C52 H59 F24 N19 O P4 Rh2'
_chemical_formula_weight         1751.88

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   19.0638(6)
_cell_length_b                   15.4706(5)
_cell_length_c                   26.2772(9)
_cell_angle_alpha                90
_cell_angle_beta                 103.647(3)
_cell_angle_gamma                90
_cell_volume                     7531.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8055
_cell_measurement_theta_min      3.0002
_cell_measurement_theta_max      29.5021

_exptl_crystal_description       Block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_F_000             3512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.40
_exptl_absorpt_coefficient_mu    0.632
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7490
_exptl_absorpt_correction_T_max  0.7842
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33953
_diffrn_reflns_av_unetI/netI     0.0674
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.006
_diffrn_reflns_theta_max         29.567
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.843
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             17813
_reflns_number_gt                12406
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1063P)²+22.1028P] 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         17813
_refine_ls_number_parameters     954
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0710
_refine_ls_wR_factor_ref         0.2198
_refine_ls_wR_factor_gt          0.1860
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.63062(2) 0.37781(2) 0.76979(2) 0.02342(11) Uani 1 1 d . . . . .
Rh02 Rh 0.49053(2) 0.38685(2) 0.77161(2) 0.02386(12) Uani 1 1 d . . . . .
P003 P 0.03037(9) 0.38745(10) 0.66730(7) 0.0436(4) Uani 1 1 d . . . . .
P004 P 0.60583(10) 0.09159(13) 0.60008(8) 0.0535(4) Uani 1 1 d . . . . .
P005 P 0.33610(14) 0.38845(19) 0.53152(8) 0.0765(7) Uani 1 1 d . . . . .
P006 P 0.65714(12) 0.5529(2) 1.03652(9) 0.0852(9) Uani 1 1 d . . . . .
N007 N 0.6439(2) 0.2404(3) 0.79209(17) 0.0280(9) Uani 1 1 d . . . . .
N008 N 0.4890(2) 0.5572(3) 0.80997(17) 0.0291(9) Uani 1 1 d . . . . .
N009 N 0.4680(2) 0.2649(3) 0.72828(18) 0.0323(9) Uani 1 1 d . . . . .
N00A N 0.4861(2) 0.2203(3) 0.81446(18) 0.0324(10) Uani 1 1 d . . . . .
N00B N 0.6851(2) 0.3088(3) 0.87127(16) 0.0277(9) Uani 1 1 d . . . . .
N00C N 0.6014(2) 0.4077(3) 0.68605(17) 0.0293(9) Uani 1 1 d . . . . .
N00D N 0.6653(2) 0.5556(3) 0.80712(17) 0.0306(9) Uani 1 1 d . . . . .
N00E N 0.6894(2) 0.4476(3) 0.87604(16) 0.0287(9) Uani 1 1 d . . . . .
N00F N 0.4710(2) 0.5065(3) 0.72500(17) 0.0297(9) Uani 1 1 d . . . . .
N00G N 0.5080(2) 0.3137(3) 0.87774(17) 0.0330(10) Uani 1 1 d . . . . .
N00H N 0.6350(2) 0.5415(3) 0.72331(17) 0.0302(9) Uani 1 1 d . . . . .
N00I N 0.7407(2) 0.3687(3) 0.75796(18) 0.0321(10) Uani 1 1 d . . . . .
C00J C 0.5017(3) 0.3045(3) 0.8261(2) 0.0308(11) Uani 1 1 d . . . . .
F00K F -0.0263(2) 0.3141(3) 0.6714(2) 0.0754(14) Uani 1 1 d . . . . .
C00L C 0.6655(3) 0.3828(3) 0.84377(19) 0.0270(10) Uani 1 1 d . . . . .
N00M N 0.5087(2) 0.4700(3) 0.87551(17) 0.0307(9) Uani 1 1 d . . . . .
N00N N 0.2672(3) 0.3778(4) 0.7783(2) 0.0444(12) Uani 1 1 d . . . . .
C00O C 0.5025(3) 0.4739(3) 0.82354(19) 0.0271(10) Uani 1 1 d . . . . .
N00P N 0.8581(2) 0.3741(3) 0.7734(2) 0.0357(10) Uani 1 1 d . . . . .
N00Q N 0.3743(2) 0.3862(3) 0.76238(18) 0.0326(10) Uani 1 1 d . . . . .
F00R F 0.0902(2) 0.3158(3) 0.6716(3) 0.0897(17) Uani 1 1 d . . . . .
F00S F 0.0879(3) 0.4609(3) 0.6661(2) 0.0892(16) Uani 1 1 d . . . . .
C00T C 0.6388(3) 0.4993(3) 0.76908(19) 0.0279(10) Uani 1 1 d . . . . .
C00U C 0.6739(3) 0.2306(3) 0.8438(2) 0.0295(11) Uani 1 1 d . . . . .
C00V C 0.4670(3) 0.1981(3) 0.7612(2) 0.0357(12) Uani 1 1 d . . . . .
C00W C 0.4720(3) 0.5766(3) 0.7559(2) 0.0312(11) Uani 1 1 d . . . . .
C00X C 0.7613(3) 0.3498(4) 0.7120(2) 0.0394(13) Uani 1 1 d . . . . .
H00X H 0.730331 0.336676 0.679913 0.047 Uiso 1 1 calc R U . . .
F00Y F 0.0519(4) 0.3949(5) 0.7286(2) 0.114(2) Uani 1 1 d . . . . .
C00Z C 0.5824(3) 0.3558(4) 0.6445(2) 0.0372(12) Uani 1 1 d . . . . .
H00Z H 0.573043 0.297958 0.649920 0.045 Uiso 1 1 calc R U . . .
C010 C 0.6762(3) 0.5395(3) 0.8632(2) 0.0322(11) Uani 1 1 d . . . . .
H01A H 0.633857 0.558296 0.874618 0.039 Uiso 1 1 calc R U . . .
H01B H 0.717062 0.573140 0.882035 0.039 Uiso 1 1 calc R U . . .
C011 C 0.6154(3) 0.4912(3) 0.6770(2) 0.0330(11) Uani 1 1 d . . . . .
F012 F -0.0296(3) 0.4577(3) 0.6669(3) 0.109(2) Uani 1 1 d . . . . .
C013 C 0.7218(3) 0.3291(4) 0.9225(2) 0.0353(12) Uani 1 1 d . . . . .
H013 H 0.740544 0.290187 0.949195 0.042 Uiso 1 1 calc R U . . .
C014 C 0.8339(3) 0.3539(4) 0.7218(2) 0.0393(13) Uani 1 1 d . . . . .
H014 H 0.862098 0.344628 0.697884 0.047 Uiso 1 1 calc R U . . .
C015 C 0.6344(3) 0.1688(4) 0.7622(2) 0.0373(12) Uani 1 1 d . . . . .
H015 H 0.614894 0.174085 0.726400 0.045 Uiso 1 1 calc R U . . .
C016 C 0.7249(3) 0.4163(4) 0.9257(2) 0.0360(12) Uani 1 1 d . . . . .
H016 H 0.746200 0.449099 0.954872 0.043 Uiso 1 1 calc R U . . .
C017 C 0.4455(3) 0.2496(4) 0.6768(2) 0.0394(13) Uani 1 1 d . . . . .
H017 H 0.444753 0.294912 0.653431 0.047 Uiso 1 1 calc R U . . .
C018 C 0.4573(3) 0.6590(4) 0.7365(2) 0.0422(13) Uani 1 1 d . . . . .
H018 H 0.459060 0.705921 0.758872 0.051 Uiso 1 1 calc R U . . .
C019 C 0.4531(3) 0.5181(4) 0.6736(2) 0.0335(11) Uani 1 1 d . . . . .
H019 H 0.451399 0.470174 0.651992 0.040 Uiso 1 1 calc R U . . .
C01A C 0.3382(3) 0.3799(4) 0.7993(2) 0.0365(12) Uani 1 1 d . . . . .
H01C H 0.359293 0.377225 0.835003 0.044 Uiso 1 1 calc R U . . .
C01B C 0.4997(3) 0.5524(4) 0.8947(2) 0.0385(13) Uani 1 1 d . . . . .
H01D H 0.501990 0.566621 0.929416 0.046 Uiso 1 1 calc R U . . .
C01C C 0.6936(3) 0.1516(4) 0.8672(2) 0.0410(13) Uani 1 1 d . . . . .
H01E H 0.713767 0.147306 0.902992 0.049 Uiso 1 1 calc R U . . .
F01D F 0.6660(4) 0.5721(5) 0.9798(2) 0.117(2) Uani 1 1 d . . . . .
C01E C 0.4872(3) 0.6071(4) 0.8541(2) 0.0384(13) Uani 1 1 d . . . . .
H01F H 0.478976 0.666250 0.855087 0.046 Uiso 1 1 calc R U . . .
C01F C 0.8011(3) 0.3819(4) 0.7937(2) 0.0377(13) Uani 1 1 d . . . . .
H01G H 0.803320 0.395074 0.828574 0.045 Uiso 1 1 calc R U . . .
C01G C 0.6101(4) 0.5241(4) 0.6276(2) 0.0470(15) Uani 1 1 d . . . . .
H01H H 0.619907 0.582043 0.622821 0.056 Uiso 1 1 calc R U . . .
C01H C 0.6758(3) 0.6357(3) 0.7849(3) 0.0397(13) Uani 1 1 d . . . . .
H01I H 0.692662 0.685942 0.803177 0.048 Uiso 1 1 calc R U . . .
C01I C 0.2573(3) 0.3828(5) 0.7251(3) 0.057(2) Uani 1 1 d . . . . .
H01J H 0.213499 0.383087 0.700349 0.069 Uiso 1 1 calc R U . . .
C01J C 0.9336(3) 0.3813(5) 0.8014(3) 0.0577(19) Uani 1 1 d . . . . .
H01K H 0.953562 0.324583 0.809450 0.087 Uiso 1 1 calc R U . . .
H01L H 0.936933 0.412972 0.833320 0.087 Uiso 1 1 calc R U . . .
H01M H 0.960088 0.411162 0.779911 0.087 Uiso 1 1 calc R U . . .
C01K C 0.4833(4) 0.1750(4) 0.8598(3) 0.0526(17) Uani 1 1 d . . . . .
H01N H 0.473874 0.116394 0.862303 0.063 Uiso 1 1 calc R U . . .
F01L F 0.0104(4) 0.3798(6) 0.6073(2) 0.140(3) Uani 1 1 d . . . . .
N01M N 0.3697(4) 0.2559(4) 0.3817(3) 0.0656(17) Uani 1 1 d . . . . .
C01N C 0.4366(3) 0.5986(4) 0.6506(2) 0.0441(14) Uani 1 1 d . . . . .
H01O H 0.423820 0.604423 0.614385 0.053 Uiso 1 1 calc R U . . .
C01O C 0.4970(4) 0.2328(4) 0.8995(3) 0.0497(16) Uani 1 1 d . . . . .
H01P H 0.498838 0.221479 0.934504 0.060 Uiso 1 1 calc R U . . .
C01P C 0.6822(4) 0.0783(4) 0.8354(3) 0.0507(16) Uani 1 1 d . . . . .
H01Q H 0.694589 0.023804 0.849591 0.061 Uiso 1 1 calc R U . . .
C01Q C 0.4234(4) 0.1683(4) 0.6574(3) 0.0535(17) Uani 1 1 d . . . . .
H01R H 0.407211 0.159686 0.621525 0.064 Uiso 1 1 calc R U . . .
F01R F 0.6580(4) 0.1064(5) 0.5638(3) 0.139(3) Uani 1 1 d . . . . .
C01S C 0.6573(3) 0.6269(3) 0.7326(3) 0.0397(13) Uani 1 1 d . . . . .
H01S H 0.658951 0.669103 0.707703 0.048 Uiso 1 1 calc R U . . .
C01T C 0.5280(3) 0.3919(4) 0.9076(2) 0.0338(12) Uani 1 1 d . . . . .
H01T H 0.579642 0.391645 0.922571 0.041 Uiso 1 1 calc R U . . .
H01U H 0.503933 0.393305 0.936297 0.041 Uiso 1 1 calc R U . . .
C01U C 0.6527(4) 0.0880(4) 0.7831(3) 0.0464(15) Uani 1 1 d . . . . .
H01V H 0.644889 0.039690 0.761412 0.056 Uiso 1 1 calc R U . . .
C01V C 0.4398(4) 0.6699(4) 0.6827(3) 0.0494(16) Uani 1 1 d . . . . .
H01W H 0.430155 0.724752 0.668299 0.059 Uiso 1 1 calc R U . . .
C01W C 0.4466(4) 0.1149(4) 0.7440(3) 0.0524(17) Uani 1 1 d . . . . .
H01X H 0.447148 0.069926 0.767540 0.063 Uiso 1 1 calc R U . . .
C01X C 0.5759(4) 0.3843(5) 0.5938(3) 0.0544(18) Uani 1 1 d . . . . .
H01Y H 0.562166 0.346241 0.565792 0.065 Uiso 1 1 calc R U . . .
F01Y F 0.5599(4) 0.0746(6) 0.6407(3) 0.139(3) Uani 1 1 d . . . . .
F01Z F 0.7233(4) 0.6070(8) 1.0588(3) 0.179(4) Uani 1 1 d . . . . .
C020 C 0.5899(4) 0.4688(5) 0.5853(3) 0.0601(19) Uani 1 1 d . . . . .
H020 H 0.585836 0.489070 0.551426 0.072 Uiso 1 1 calc R U . . .
C021 C 0.2106(4) 0.3679(6) 0.8082(3) 0.070(2) Uani 1 1 d . . . . .
H02A H 0.230248 0.337643 0.840284 0.106 Uiso 1 1 calc R U . . .
H02B H 0.170827 0.335709 0.787652 0.106 Uiso 1 1 calc R U . . .
H02C H 0.194155 0.423944 0.815937 0.106 Uiso 1 1 calc R U . . .
F022 F 0.5887(4) 0.4962(6) 1.0135(3) 0.147(3) Uani 1 1 d . . . . .
C023 C 0.3236(3) 0.3873(5) 0.7157(2) 0.0491(16) Uani 1 1 d . . . . .
H023 H 0.333454 0.390634 0.682728 0.059 Uiso 1 1 calc R U . . .
F025 F 0.6464(4) 0.5259(6) 1.0927(2) 0.141(3) Uani 1 1 d . . . . .
C026 C 0.4255(4) 0.1016(4) 0.6909(3) 0.0585(19) Uani 1 1 d . . . . .
H026 H 0.412560 0.046487 0.677894 0.070 Uiso 1 1 calc R U . . .
F027 F 0.5576(5) 0.1723(5) 0.5832(4) 0.166(4) Uani 1 1 d . . . . .
C028 C 0.3997(5) 0.2240(5) 0.4194(3) 0.062(2) Uani 1 1 d . . . . .
F029 F 0.3672(6) 0.3742(4) 0.4834(3) 0.147(3) Uani 1 1 d . . . . .
F02A F 0.5503(4) 0.0455(7) 0.5585(4) 0.191(5) Uani 1 1 d . . . . .
F02B F 0.3769(7) 0.4775(6) 0.5420(3) 0.193(5) Uani 1 1 d . . . . .
C02C C 0.3981(4) -0.0819(6) 0.5898(4) 0.070(2) Uani 1 1 d . . . . .
F02D F 0.3099(7) 0.3944(7) 0.5831(4) 0.205(5) Uani 1 1 d . . . . .
C02E C 0.3847(6) -0.0125(7) 0.5520(4) 0.091(3) Uani 1 1 d . . . . .
H02G H 0.382646 -0.035402 0.517717 0.137 Uiso 1 1 calc R U . . .
H02H H 0.422867 0.029204 0.560773 0.137 Uiso 1 1 calc R U . . .
H02I H 0.339532 0.014678 0.552361 0.137 Uiso 1 1 calc R U . . .
F02G F 0.6588(4) 0.1461(11) 0.6395(4) 0.252(8) Uani 1 1 d . . . . .
F02I F 0.6045(6) 0.6286(6) 1.0336(6) 0.210(5) Uani 1 1 d . . . . .
O02J O 0.2460(6) 0.1486(7) 0.8034(6) 0.143(4) Uani 1 1 d . . . . .
N02K N 0.4100(5) -0.1320(7) 0.6194(4) 0.118(4) Uani 1 1 d . . . . .
F02L F 0.4020(7) 0.3508(10) 0.5676(5) 0.254(7) Uani 1 1 d . . . . .
F02M F 0.2950(10) 0.3088(10) 0.5178(5) 0.324(11) Uani 1 1 d . . . . .
F02O F 0.6508(6) 0.0119(7) 0.6152(6) 0.243(7) Uani 1 1 d . . . . .
F02P F 0.2767(7) 0.4371(14) 0.4999(7) 0.331(10) Uani 1 1 d . . . . .
C02R C 0.4369(7) 0.1826(6) 0.4672(4) 0.105(4) Uani 1 1 d . . . . .
H02D H 0.424534 0.122361 0.465893 0.157 Uiso 1 1 calc R U . . .
H02E H 0.423053 0.209176 0.496392 0.157 Uiso 1 1 calc R U . . .
H02F H 0.488087 0.188624 0.471322 0.157 Uiso 1 1 calc R U . . .
C3 C 0.2200(10) 0.1324(12) 0.7163(8) 0.167(8) Uani 1 1 d D . . . .
H3A H 0.243913 0.111084 0.690483 0.250 Uiso 1 1 calc R U . . .
H3B H 0.208026 0.192260 0.709540 0.250 Uiso 1 1 calc R U . . .
H3C H 0.176598 0.099830 0.714500 0.250 Uiso 1 1 calc R U . . .
C4 C 0.2614(11) 0.1582(13) 0.8968(8) 0.192(9) Uani 1 1 d D . . . .
H4A H 0.216964 0.190124 0.888688 0.288 Uiso 1 1 calc R U . . .
H4B H 0.300556 0.196551 0.911472 0.288 Uiso 1 1 calc R U . . .
H4C H 0.258627 0.113622 0.921662 0.288 Uiso 1 1 calc R U . . .
C0AA C 0.2669(12) 0.1235(14) 0.7675(10) 0.219(14) Uani 1 1 d D . . . .
H0AA H 0.278553 0.062649 0.773153 0.262 Uiso 1 1 calc R U . . .
H0AB H 0.311573 0.153480 0.767491 0.262 Uiso 1 1 calc R U . . .
C7 C 0.2737(13) 0.1190(16) 0.8488(12) 0.226(12) Uani 1 1 d D . . . .
H7A H 0.325568 0.118211 0.852380 0.271 Uiso 1 1 calc R U . . .
H7B H 0.258580 0.059109 0.848754 0.271 Uiso 1 1 calc R U . . .
F1 F 0.7082(4) 0.4718(6) 1.0388(3) 0.148(3) Uani 1 1 d . . . . .
N1 N 0.6914(9) 0.7481(9) 0.8911(5) 0.077(5) Uani 0.5 1 d . . P . .
C3AA C 0.6597(14) 0.7632(13) 0.9207(8) 0.104(8) Uani 0.5 1 d . . P . .
C1AA C 0.623(2) 0.783(2) 0.9628(8) 0.167(15) Uani 0.5 1 d . . P . .
H1AA H 0.572782 0.770536 0.951145 0.251 Uiso 0.5 1 calc R U P . .
H1AB H 0.629508 0.843492 0.971574 0.251 Uiso 0.5 1 calc R U P . .
H1AC H 0.643899 0.749009 0.993063 0.251 Uiso 0.5 1 calc R U P . .
N0AA N 0.4452(13) 0.0834(11) 0.9608(7) 0.110(7) Uani 0.5 1 d . . P . .
C2AA C 0.4226(12) 0.0217(12) 0.9716(10) 0.098(7) Uani 0.5 1 d . . P . .
C14 C 0.3943(15) -0.054(2) 0.991(2) 0.28(3) Uani 0.5 1 d . . P . .
H14A H 0.365353 -0.085416 0.962143 0.422 Uiso 0.5 1 calc R U P . .
H14B H 0.365043 -0.036780 1.014427 0.422 Uiso 0.5 1 calc R U P . .
H14C H 0.433353 -0.089251 1.009220 0.422 Uiso 0.5 1 calc R U P . .


_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
Rh01 C00T 1.886(5) . ?
Rh01 C00L 1.902(5) . ?
Rh01 N00C 2.188(4) . ?
Rh01 N00I 2.198(4) . ?
Rh01 N007 2.204(4) . ?
Rh01 Rh02 2.6859(5) . ?
Rh02 C00J 1.891(5) . ?
Rh02 C00O 1.893(5) . ?
Rh02 N00Q 2.172(5) . ?
Rh02 N009 2.193(4) . ?
Rh02 N00F 2.202(4) . ?
P003 F01L 1.537(6) . ?
P003 F00Y 1.569(6) . ?
P003 F00R 1.574(4) . ?
P003 F012 1.576(5) . ?
P003 F00S 1.585(5) . ?
P003 F00K 1.589(4) . ?
P004 F02O 1.500(7) . ?
P004 F02A 1.509(7) . ?
P004 F02G 1.520(8) . ?
P004 F01R 1.549(6) . ?
P004 F027 1.552(7) . ?
P004 F01Y 1.555(6) . ?
P005 F02P 1.447(12) . ?
P005 F02M 1.460(8) . ?
P005 F02L 1.502(10) . ?
P005 F029 1.535(6) . ?
P005 F02D 1.554(8) . ?
P005 F02B 1.573(9) . ?
P006 F01Z 1.512(7) . ?
P006 F02I 1.533(9) . ?
P006 F01D 1.568(6) . ?
P006 F022 1.571(7) . ?
P006 F1 1.581(8) . ?
P006 F025 1.593(6) . ?
N007 C015 1.345(7) . ?
N007 C00U 1.352(7) . ?
N008 C00O 1.346(6) . ?
N008 C01E 1.401(7) . ?
N008 C00W 1.412(7) . ?
N009 C017 1.340(7) . ?
N009 C00V 1.352(7) . ?
N00A C00J 1.355(7) . ?
N00A C01K 1.394(7) . ?
N00A C00V 1.403(7) . ?
N00B C00L 1.358(6) . ?
N00B C013 1.399(7) . ?
N00B C00U 1.400(7) . ?
N00C C00Z 1.335(7) . ?
N00C C011 1.350(7) . ?
N00D C00T 1.332(7) . ?
N00D C01H 1.405(7) . ?
N00D C010 1.460(7) . ?
N00E C00L 1.322(6) . ?
N00E C016 1.405(7) . ?
N00E C010 1.469(7) . ?
N00F C019 1.325(7) . ?
N00F C00W 1.353(7) . ?
N00G C00J 1.341(7) . ?
N00G C01O 1.411(7) . ?
N00G C01T 1.444(7) . ?
N00H C00T 1.355(6) . ?
N00H C01S 1.392(7) . ?
N00H C011 1.418(7) . ?
N00I C01F 1.318(8) . ?
N00I C00X 1.386(7) . ?
N00M C00O 1.344(6) . ?
N00M C01B 1.396(7) . ?
N00M C01T 1.469(7) . ?
N00N C01A 1.336(7) . ?
N00N C01I 1.369(8) . ?
N00N C021 1.484(8) . ?
N00P C01F 1.324(7) . ?
N00P C014 1.361(8) . ?
N00P C01J 1.459(8) . ?
N00Q C01A 1.319(7) . ?
N00Q C023 1.371(7) . ?
C00U C01C 1.381(7) . ?
C00V C01W 1.388(8) . ?
C00W C018 1.377(8) . ?
C00X C014 1.348(8) . ?
C00Z C01X 1.380(8) . ?
C011 C01G 1.376(7) . ?
C013 C016 1.352(8) . ?
C015 C01U 1.377(8) . ?
C017 C01Q 1.385(8) . ?
C018 C01V 1.384(9) . ?
C019 C01N 1.387(8) . ?
C01B C01E 1.337(8) . ?
C01C C01P 1.394(9) . ?
C01G C020 1.384(9) . ?
C01H C01S 1.343(9) . ?
C01I C023 1.345(9) . ?
C01K C01O 1.351(10) . ?
N01M C028 1.134(9) . ?
C01N C01V 1.381(9) . ?
C01P C01U 1.366(9) . ?
C01Q C026 1.349(10) . ?
C01W C026 1.374(11) . ?
C01X C020 1.364(10) . ?
C028 C02R 1.440(11) . ?
C02C N02K 1.084(11) . ?
C02C C02E 1.444(13) . ?
O02J C0AA 1.17(2) . ?
O02J C7 1.27(3) . ?
C3 C0AA 1.437(17) . ?
C4 C7 1.469(17) . ?
N1 C3AA 1.12(3) . ?
C3AA C1AA 1.47(3) . ?
N0AA C2AA 1.11(2) . ?
C2AA C14 1.43(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
C00T Rh01 C00L 87.7(2) . . ?
C00T Rh01 N00C 77.38(19) . . ?
C00L Rh01 N00C 164.57(19) . . ?
C00T Rh01 N00I 88.78(18) . . ?
C00L Rh01 N00I 91.86(19) . . ?
N00C Rh01 N00I 84.04(16) . . ?
C00T Rh01 N007 163.58(19) . . ?
C00L Rh01 N007 77.12(19) . . ?
N00C Rh01 N007 117.21(16) . . ?
N00I Rh01 N007 85.55(15) . . ?
C00T Rh01 Rh02 91.89(15) . . ?
C00L Rh01 Rh02 95.08(15) . . ?
N00C Rh01 Rh02 89.35(11) . . ?
N00I Rh01 Rh02 173.05(13) . . ?
N007 Rh01 Rh02 95.60(11) . . ?
C00J Rh02 C00O 87.7(2) . . ?
C00J Rh02 N00Q 90.66(19) . . ?
C00O Rh02 N00Q 91.68(19) . . ?
C00J Rh02 N009 77.7(2) . . ?
C00O Rh02 N009 164.19(19) . . ?
N00Q Rh02 N009 82.45(16) . . ?
C00J Rh02 N00F 164.1(2) . . ?
C00O Rh02 N00F 77.20(19) . . ?
N00Q Rh02 N00F 84.68(16) . . ?
N009 Rh02 N00F 116.59(17) . . ?
C00J Rh02 Rh01 92.48(15) . . ?
C00O Rh02 Rh01 95.69(15) . . ?
N00Q Rh02 Rh01 172.09(12) . . ?
N009 Rh02 Rh01 91.13(12) . . ?
N00F Rh02 Rh01 94.14(11) . . ?
F01L P003 F00Y 179.2(5) . . ?
F01L P003 F00R 91.1(4) . . ?
F00Y P003 F00R 88.2(4) . . ?
F01L P003 F012 92.5(4) . . ?
F00Y P003 F012 88.3(4) . . ?
F00R P003 F012 176.1(4) . . ?
F01L P003 F00S 92.3(4) . . ?
F00Y P003 F00S 87.3(4) . . ?
F00R P003 F00S 90.7(3) . . ?
F012 P003 F00S 90.6(3) . . ?
F01L P003 F00K 90.4(4) . . ?
F00Y P003 F00K 90.0(3) . . ?
F00R P003 F00K 89.2(2) . . ?
F012 P003 F00K 89.3(3) . . ?
F00S P003 F00K 177.4(3) . . ?
F02O P004 F02A 93.7(8) . . ?
F02O P004 F02G 91.7(8) . . ?
F02A P004 F02G 174.5(8) . . ?
F02O P004 F01R 82.8(5) . . ?
F02A P004 F01R 93.9(5) . . ?
F02G P004 F01R 85.3(5) . . ?
F02O P004 F027 178.3(8) . . ?
F02A P004 F027 84.6(6) . . ?
F02G P004 F027 90.1(7) . . ?
F01R P004 F027 97.4(5) . . ?
F02O P004 F01Y 93.4(5) . . ?
F02A P004 F01Y 90.3(5) . . ?
F02G P004 F01Y 90.9(5) . . ?
F01R P004 F01Y 174.5(5) . . ?
F027 P004 F01Y 86.6(5) . . ?
F02P P005 F02M 89.7(11) . . ?
F02P P005 F02L 171.5(11) . . ?
F02M P005 F02L 98.6(11) . . ?
F02P P005 F029 90.3(9) . . ?
F02M P005 F029 87.9(5) . . ?
F02L P005 F029 92.1(7) . . ?
F02P P005 F02D 95.7(9) . . ?
F02M P005 F02D 90.1(5) . . ?
F02L P005 F02D 82.3(7) . . ?
F029 P005 F02D 173.7(6) . . ?
F02P P005 F02B 86.2(10) . . ?
F02M P005 F02B 175.3(9) . . ?
F02L P005 F02B 85.6(8) . . ?
F029 P005 F02B 89.9(5) . . ?
F02D P005 F02B 92.5(5) . . ?
F01Z P006 F02I 94.2(7) . . ?
F01Z P006 F01D 89.7(5) . . ?
F02I P006 F01D 91.4(6) . . ?
F01Z P006 F022 179.6(7) . . ?
F02I P006 F022 86.1(6) . . ?
F01D P006 F022 90.4(4) . . ?
F01Z P006 F1 88.6(6) . . ?
F02I P006 F1 177.2(6) . . ?
F01D P006 F1 89.0(4) . . ?
F022 P006 F1 91.1(5) . . ?
F01Z P006 F025 93.7(4) . . ?
F02I P006 F025 91.2(6) . . ?
F01D P006 F025 175.5(5) . . ?
F022 P006 F025 86.2(4) . . ?
F1 P006 F025 88.2(5) . . ?
C015 N007 C00U 117.5(4) . . ?
C015 N007 Rh01 130.4(4) . . ?
C00U N007 Rh01 111.7(3) . . ?
C00O N008 C01E 110.4(4) . . ?
C00O N008 C00W 117.0(4) . . ?
C01E N008 C00W 132.2(5) . . ?
C017 N009 C00V 117.5(5) . . ?
C017 N009 Rh02 130.8(4) . . ?
C00V N009 Rh02 110.9(4) . . ?
C00J N00A C01K 109.9(5) . . ?
C00J N00A C00V 116.9(4) . . ?
C01K N00A C00V 132.5(5) . . ?
C00L N00B C013 109.6(4) . . ?
C00L N00B C00U 117.7(4) . . ?
C013 N00B C00U 132.2(4) . . ?
C00Z N00C C011 117.3(5) . . ?
C00Z N00C Rh01 130.6(4) . . ?
C011 N00C Rh01 111.4(3) . . ?
C00T N00D C01H 109.3(5) . . ?
C00T N00D C010 125.8(4) . . ?
C01H N00D C010 124.7(5) . . ?
C00L N00E C016 110.6(4) . . ?
C00L N00E C010 124.9(4) . . ?
C016 N00E C010 124.4(4) . . ?
C019 N00F C00W 117.9(5) . . ?
C019 N00F Rh02 130.5(4) . . ?
C00W N00F Rh02 111.3(3) . . ?
C00J N00G C01O 109.2(5) . . ?
C00J N00G C01T 126.1(4) . . ?
C01O N00G C01T 124.6(5) . . ?
C00T N00H C01S 110.6(5) . . ?
C00T N00H C011 116.4(4) . . ?
C01S N00H C011 132.8(5) . . ?
C01F N00I C00X 106.0(5) . . ?
C01F N00I Rh01 126.3(4) . . ?
C00X N00I Rh01 127.8(4) . . ?
N00G C00J N00A 107.1(4) . . ?
N00G C00J Rh02 131.4(4) . . ?
N00A C00J Rh02 119.8(4) . . ?
N00E C00L N00B 106.7(4) . . ?
N00E C00L Rh01 132.1(4) . . ?
N00B C00L Rh01 119.7(4) . . ?
C00O N00M C01B 109.7(5) . . ?
C00O N00M C01T 124.9(4) . . ?
C01B N00M C01T 125.3(4) . . ?
C01A N00N C01I 107.6(5) . . ?
C01A N00N C021 125.2(6) . . ?
C01I N00N C021 127.1(6) . . ?
N00M C00O N008 106.2(4) . . ?
N00M C00O Rh02 131.8(4) . . ?
N008 C00O Rh02 120.5(4) . . ?
C01F N00P C014 107.7(5) . . ?
C01F N00P C01J 126.6(6) . . ?
C014 N00P C01J 125.6(5) . . ?
C01A N00Q C023 106.2(5) . . ?
C01A N00Q Rh02 127.8(4) . . ?
C023 N00Q Rh02 125.8(4) . . ?
N00D C00T N00H 106.4(4) . . ?
N00D C00T Rh01 131.4(4) . . ?
N00H C00T Rh01 120.1(4) . . ?
N007 C00U C01C 123.6(5) . . ?
N007 C00U N00B 113.5(4) . . ?
C01C C00U N00B 122.9(5) . . ?
N009 C00V C01W 123.1(6) . . ?
N009 C00V N00A 114.3(5) . . ?
C01W C00V N00A 122.6(5) . . ?
N00F C00W C018 123.1(5) . . ?
N00F C00W N008 113.7(4) . . ?
C018 C00W N008 123.2(5) . . ?
C014 C00X N00I 108.1(5) . . ?
N00C C00Z C01X 122.9(6) . . ?
N00D C010 N00E 111.9(4) . . ?
N00C C011 C01G 123.1(5) . . ?
N00C C011 N00H 113.4(4) . . ?
C01G C011 N00H 123.5(5) . . ?
C016 C013 N00B 106.7(5) . . ?
C00X C014 N00P 107.0(5) . . ?
N007 C015 C01U 121.9(6) . . ?
C013 C016 N00E 106.4(5) . . ?
N009 C017 C01Q 122.0(6) . . ?
C00W C018 C01V 118.1(6) . . ?
N00F C019 C01N 122.9(5) . . ?
N00Q C01A N00N 110.6(5) . . ?
C01E C01B N00M 107.7(5) . . ?
C00U C01C C01P 117.7(6) . . ?
C01B C01E N008 106.1(5) . . ?
N00I C01F N00P 111.1(5) . . ?
C011 C01G C020 118.2(6) . . ?
C01S C01H N00D 107.9(5) . . ?
C023 C01I N00N 106.4(5) . . ?
C01O C01K N00A 106.7(5) . . ?
C01V C01N C019 118.6(6) . . ?
C01K C01O N00G 107.2(5) . . ?
C01U C01P C01C 118.9(5) . . ?
C026 C01Q C017 119.6(7) . . ?
C01H C01S N00H 105.7(5) . . ?
N00G C01T N00M 112.2(4) . . ?
C01P C01U C015 120.4(6) . . ?
C01N C01V C018 119.4(6) . . ?
C026 C01W C00V 117.5(6) . . ?
C020 C01X C00Z 119.2(6) . . ?
C01X C020 C01G 119.3(6) . . ?
C01I C023 N00Q 109.2(5) . . ?
C01Q C026 C01W 120.2(6) . . ?
N01M C028 C02R 179.1(10) . . ?
N02K C02C C02E 177.3(12) . . ?
C0AA O02J C7 119.3(17) . . ?
O02J C0AA C3 117.8(19) . . ?
O02J C7 C4 122.8(19) . . ?
N1 C3AA C1AA 176(2) . . ?
N0AA C2AA C14 174(4) . . ?

_refine_diff_density_max         2.000
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.140

####################################################################### 
# 
# 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_160418_yxf160408_A2_170K
_database_code_depnum_ccdc_archive 'CCDC 1883811'
loop_
_audit_author_name
_audit_author_address
'Wanzhi Chen'
;Zhejiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H58 N12 O2 P2 Rh2, 4(F6 P), 4(C2 H3 N)'
_chemical_formula_sum            'C78 H70 F24 N16 O2 P6 Rh2'
_chemical_formula_weight         2111.14

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   14.0615(4)
_cell_length_b                   12.6084(3)
_cell_length_c                   24.0897(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.831(3)
_cell_angle_gamma                90
_cell_volume                     4248.8(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6878
_cell_measurement_theta_min      2.9034
_cell_measurement_theta_max      29.1618

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_F_000             2124
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.612
_shelx_estimated_absorpt_T_min   0.783
_shelx_estimated_absorpt_T_max   0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7832
_exptl_absorpt_correction_T_max  0.8378
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16319
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.912
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7469
_reflns_number_gt                6170
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0536P)²+13.9417P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7469
_refine_ls_number_parameters     579
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0516
_refine_ls_wR_factor_ref         0.1327
_refine_ls_wR_factor_gt          0.1206
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.86264(2) 0.04667(2) 0.93982(2) 0.01704(12) Uani 1 1 d . . . . .
P1 P 0.71721(8) 0.11566(9) 0.89967(5) 0.0203(2) Uani 1 1 d . . . . .
P2 P 0.75779(10) 0.58921(11) 0.97271(6) 0.0397(3) Uani 1 1 d . . . . .
P3 P 0.21484(10) 0.76958(12) 0.73911(6) 0.0394(3) Uani 1 1 d . . . . .
N1 N 0.4598(5) 0.0048(5) 0.6418(3) 0.0743(18) Uani 1 1 d . . . . .
N2 N 0.5139(6) 0.5662(6) 0.8220(3) 0.100(3) Uani 1 1 d . . . . .
N3 N 0.8853(2) -0.0743(3) 0.87689(15) 0.0223(8) Uani 1 1 d . . . . .
N4 N 0.9702(3) 0.0684(3) 0.84733(15) 0.0255(8) Uani 1 1 d . . . . .
N5 N 0.9798(3) 0.2153(3) 0.89351(16) 0.0256(8) Uani 1 1 d . . . . .
N6 N 0.9309(2) 0.2561(3) 0.98453(15) 0.0220(8) Uani 1 1 d . . . . .
N7 N 0.8581(3) 0.1597(3) 1.04085(14) 0.0229(8) Uani 1 1 d . . . . .
N8 N 0.7999(3) -0.0060(3) 1.01518(14) 0.0216(8) Uani 1 1 d . . . . .
O1 O 0.9850(2) -0.0230(2) 0.97309(12) 0.0273(7) Uani 1 1 d . . . . .
F1 F 0.7028(3) 0.6910(3) 0.94911(19) 0.0737(12) Uani 1 1 d . . . . .
F2 F 0.1760(3) 0.7544(3) 0.79792(15) 0.0750(12) Uani 1 1 d . . . . .
F3 F 0.2488(3) 0.7850(3) 0.67879(18) 0.0842(14) Uani 1 1 d . . . . .
F4 F 0.2909(4) 0.8516(6) 0.7611(3) 0.148(3) Uani 1 1 d . . . . .
F5 F 0.1489(4) 0.8688(4) 0.7293(2) 0.123(2) Uani 1 1 d . . . . .
F6 F 0.1367(5) 0.6951(6) 0.7139(3) 0.170(4) Uani 1 1 d . . . . .
F7 F 0.2820(5) 0.6727(5) 0.7477(3) 0.149(3) Uani 1 1 d . . . . .
F8 F 0.8100(4) 0.4889(4) 0.9982(3) 0.137(3) Uani 1 1 d . . . . .
F9 F 0.6748(4) 0.5169(3) 0.9481(3) 0.129(2) Uani 1 1 d . . . . .
F10 F 0.8004(7) 0.5792(6) 0.9168(3) 0.189(4) Uani 1 1 d . . . . .
F11 F 0.8438(3) 0.6634(4) 0.9909(3) 0.120(2) Uani 1 1 d . . . . .
F12 F 0.7134(7) 0.6042(6) 1.0259(3) 0.189(4) Uani 1 1 d . . . . .
C1 C 0.8821(3) 0.1656(3) 0.98826(17) 0.0204(9) Uani 1 1 d . . . . .
C6 C 0.9437(3) -0.0393(4) 0.83967(18) 0.0240(10) Uani 1 1 d . . . . .
C8 C 0.9383(3) 0.1200(3) 0.89059(17) 0.0214(9) Uani 1 1 d . . . . .
C10 C 0.6464(3) 0.1766(4) 0.95049(18) 0.0238(9) Uani 1 1 d . . . . .
C11 C 0.6364(3) 0.0196(4) 0.86458(18) 0.0227(9) Uani 1 1 d . . . . .
C12 C 0.6424(3) -0.0864(4) 0.87990(19) 0.0273(10) Uani 1 1 d . . . . .
H12 H 0.691230 -0.108675 0.907605 0.033 Uiso 1 1 calc R U . . .
C13 C 0.5631(3) 0.0508(4) 0.8244(2) 0.0329(11) Uani 1 1 d . . . . .
H13 H 0.557493 0.123036 0.813242 0.039 Uiso 1 1 calc R U . . .
C15 C 0.8928(3) 0.2480(4) 1.0709(2) 0.0290(10) Uani 1 1 d . . . . .
H15 H 0.886058 0.262777 1.108982 0.035 Uiso 1 1 calc R U . . .
C16 C 0.8644(3) -0.1780(4) 0.87533(19) 0.0270(10) Uani 1 1 d . . . . .
H16 H 0.825608 -0.205543 0.902008 0.032 Uiso 1 1 calc R U . . .
C17 C 0.9777(3) -0.1015(4) 0.7994(2) 0.0350(12) Uani 1 1 d . . . . .
H17 H 1.017412 -0.072895 0.773487 0.042 Uiso 1 1 calc R U . . .
C19 C 0.5606(4) 0.1305(4) 0.9627(2) 0.0379(12) Uani 1 1 d . . . . .
H19 H 0.537179 0.068757 0.943227 0.046 Uiso 1 1 calc R U . . .
C20 C 0.6788(3) 0.2668(4) 0.97989(18) 0.0263(10) Uani 1 1 d . . . . .
H20 H 0.737079 0.298952 0.972166 0.032 Uiso 1 1 calc R U . . .
C21 C 0.6272(4) 0.3102(4) 1.0202(2) 0.0356(12) Uani 1 1 d . . . . .
H21 H 0.650075 0.371806 1.039924 0.043 Uiso 1 1 calc R U . . .
C22 C 0.8966(3) -0.2465(4) 0.8369(2) 0.0343(11) Uani 1 1 d . . . . .
H22 H 0.880522 -0.319626 0.837184 0.041 Uiso 1 1 calc R U . . .
C23 C 1.0379(4) 0.2248(4) 0.8496(2) 0.0374(12) Uani 1 1 d . . . . .
H23 H 1.074807 0.285029 0.841709 0.045 Uiso 1 1 calc R U . . .
C24 C 0.9631(3) 0.2990(4) 0.93319(19) 0.0299(10) Uani 1 1 d . . . . .
H24A H 0.914241 0.348595 0.915793 0.036 Uiso 1 1 calc R U . . .
H24B H 1.023008 0.339480 0.942402 0.036 Uiso 1 1 calc R U . . .
C25 C 0.9378(3) 0.3084(4) 1.03588(19) 0.0285(10) Uani 1 1 d . . . . .
H25 H 0.968525 0.374327 1.044420 0.034 Uiso 1 1 calc R U . . .
C26 C 0.7743(3) 0.1762(4) 0.79887(19) 0.0298(10) Uani 1 1 d . . . . .
H26 H 0.783262 0.102180 0.794304 0.036 Uiso 1 1 calc R U . . .
C27 C 0.7345(3) 0.2137(4) 0.84595(18) 0.0240(10) Uani 1 1 d . . . . .
C28 C 0.7205(4) 0.3221(4) 0.8513(2) 0.0339(11) Uani 1 1 d . . . . .
H28 H 0.692595 0.348985 0.882689 0.041 Uiso 1 1 calc R U . . .
C29 C 0.8006(4) 0.2454(4) 0.7591(2) 0.0396(13) Uani 1 1 d . . . . .
H29 H 0.827487 0.218989 0.727255 0.047 Uiso 1 1 calc R U . . .
C30 C 0.7597(3) -0.0985(4) 1.0270(2) 0.0310(11) Uani 1 1 d . . . . .
H30 H 0.752625 -0.151901 0.999047 0.037 Uiso 1 1 calc R U . . .
C31 C 0.7369(5) -0.0412(4) 1.1187(2) 0.0475(15) Uani 1 1 d . . . . .
H31 H 0.713179 -0.052977 1.153682 0.057 Uiso 1 1 calc R U . . .
C32 C 0.7801(4) 0.0536(4) 1.1083(2) 0.0370(12) Uani 1 1 d . . . . .
H32 H 0.788124 0.107803 1.135773 0.044 Uiso 1 1 calc R U . . .
C33 C 0.8115(3) 0.0665(3) 1.05593(18) 0.0244(10) Uani 1 1 d . . . . .
C34 C 0.5784(3) -0.1603(4) 0.8554(2) 0.0333(11) Uani 1 1 d . . . . .
H34 H 0.583964 -0.232784 0.866057 0.040 Uiso 1 1 calc R U . . .
C35 C 0.7879(4) 0.3539(4) 0.7654(2) 0.0430(13) Uani 1 1 d . . . . .
H35 H 0.807547 0.401835 0.738333 0.052 Uiso 1 1 calc R U . . .
C36 C 0.7472(4) 0.3914(4) 0.8106(2) 0.0410(13) Uani 1 1 d . . . . .
H36 H 0.737015 0.465417 0.814357 0.049 Uiso 1 1 calc R U . . .
C37 C 0.9524(4) -0.2071(4) 0.7980(2) 0.0398(13) Uani 1 1 d . . . . .
H37 H 0.973355 -0.252453 0.770197 0.048 Uiso 1 1 calc R U . . .
C38 C 1.0320(4) 0.1345(4) 0.8212(2) 0.0371(12) Uani 1 1 d . . . . .
H38 H 1.063594 0.117870 0.789325 0.044 Uiso 1 1 calc R U . . .
C39 C 0.4985(4) -0.0233(5) 0.8007(2) 0.0441(14) Uani 1 1 d . . . . .
H39 H 0.448143 -0.001535 0.773809 0.053 Uiso 1 1 calc R U . . .
C40 C 0.5068(4) -0.1288(5) 0.8159(2) 0.0425(13) Uani 1 1 d . . . . .
H40 H 0.463088 -0.179526 0.798975 0.051 Uiso 1 1 calc R U . . .
C41 C 0.5101(4) 0.1748(5) 1.0028(3) 0.0503(15) Uani 1 1 d . . . . .
H41 H 0.451714 0.143214 1.010827 0.060 Uiso 1 1 calc R U . . .
C42 C 0.5429(4) 0.2642(5) 1.0317(2) 0.0493(15) Uani 1 1 d . . . . .
H42 H 0.507339 0.293768 1.059373 0.059 Uiso 1 1 calc R U . . .
C43 C 0.7280(4) -0.1192(4) 1.0785(2) 0.0432(13) Uani 1 1 d . . . . .
H43 H 0.700690 -0.185944 1.085899 0.052 Uiso 1 1 calc R U . . .
C44 C 0.4976(5) 0.5053(6) 0.8535(3) 0.0636(18) Uani 1 1 d . . . . .
C47 C 0.3803(6) 0.0155(5) 0.6448(3) 0.0566(18) Uani 1 1 d . . . . .
C48 C 0.2785(5) 0.0264(5) 0.6476(3) 0.0637(18) Uani 1 1 d . . . . .
H48A H 0.244714 -0.029513 0.625224 0.096 Uiso 1 1 calc R U . . .
H48B H 0.257361 0.095940 0.632894 0.096 Uiso 1 1 calc R U . . .
H48C H 0.264391 0.020160 0.686447 0.096 Uiso 1 1 calc R U . . .
C49 C 0.4763(5) 0.4254(7) 0.8935(3) 0.078(2) Uani 1 1 d . . . . .
H49A H 0.506763 0.358345 0.884833 0.116 Uiso 1 1 calc R U . . .
H49B H 0.406909 0.415261 0.891701 0.116 Uiso 1 1 calc R U . . .
H49C H 0.500651 0.448364 0.931169 0.116 Uiso 1 1 calc R U . . .


_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 1.902(4) . ?
Rh1 C8 1.910(4) . ?
Rh1 O1 2.024(3) . ?
Rh1 N3 2.196(4) . ?
Rh1 N8 2.200(3) . ?
Rh1 P1 2.3392(11) . ?
P1 C11 1.811(4) . ?
P1 C27 1.823(4) . ?
P1 C10 1.824(4) . ?
P2 F12 1.494(5) . ?
P2 F10 1.535(6) . ?
P2 F9 1.551(5) . ?
P2 F11 1.556(5) . ?
P2 F8 1.557(4) . ?
P2 F1 1.575(4) . ?
P3 F6 1.524(5) . ?
P3 F4 1.543(5) . ?
P3 F7 1.545(5) . ?
P3 F5 1.561(5) . ?
P3 F2 1.581(4) . ?
P3 F3 1.587(4) . ?
N1 C47 1.136(9) . ?
N2 C44 1.120(10) . ?
N3 C16 1.340(6) . ?
N3 C6 1.350(6) . ?
N4 C8 1.344(6) . ?
N4 C38 1.398(6) . ?
N4 C6 1.416(6) . ?
N5 C8 1.334(6) . ?
N5 C23 1.406(6) . ?
N5 C24 1.459(6) . ?
N6 C1 1.340(5) . ?
N6 C25 1.396(6) . ?
N6 C24 1.463(6) . ?
N7 C1 1.346(5) . ?
N7 C15 1.390(6) . ?
N7 C33 1.411(6) . ?
N8 C30 1.339(6) . ?
N8 C33 1.340(6) . ?
O1 O1 1.444(6) 3_757 ?
C6 C17 1.371(6) . ?
C10 C20 1.391(6) . ?
C10 C19 1.397(6) . ?
C11 C12 1.386(6) . ?
C11 C13 1.398(6) . ?
C12 C34 1.385(7) . ?
C12 H12 0.9500 . ?
C13 C39 1.385(7) . ?
C13 H13 0.9500 . ?
C15 C25 1.341(7) . ?
C15 H15 0.9500 . ?
C16 C22 1.376(6) . ?
C16 H16 0.9500 . ?
C17 C37 1.377(7) . ?
C17 H17 0.9500 . ?
C19 C41 1.375(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(6) . ?
C20 H20 0.9500 . ?
C21 C42 1.373(7) . ?
C21 H21 0.9500 . ?
C22 C37 1.375(7) . ?
C22 H22 0.9500 . ?
C23 C38 1.326(7) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25 0.9500 . ?
C26 C29 1.373(7) . ?
C26 C27 1.397(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.389(7) . ?
C28 C36 1.393(7) . ?
C28 H28 0.9500 . ?
C29 C35 1.390(8) . ?
C29 H29 0.9500 . ?
C30 C43 1.383(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.375(7) . ?
C31 C43 1.377(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(6) . ?
C32 H32 0.9500 . ?
C34 C40 1.372(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.365(7) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.381(8) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.379(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C49 1.447(11) . ?
C47 C48 1.447(11) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Rh1 C8 86.84(18) . . ?
C1 Rh1 O1 92.06(15) . . ?
C8 Rh1 O1 87.22(15) . . ?
C1 Rh1 N3 161.58(16) . . ?
C8 Rh1 N3 77.23(16) . . ?
O1 Rh1 N3 78.15(12) . . ?
C1 Rh1 N8 77.08(16) . . ?
C8 Rh1 N8 162.48(16) . . ?
O1 Rh1 N8 86.45(13) . . ?
N3 Rh1 N8 117.27(13) . . ?
C1 Rh1 P1 91.47(13) . . ?
C8 Rh1 P1 94.68(12) . . ?
O1 Rh1 P1 176.08(9) . . ?
N3 Rh1 P1 98.91(10) . . ?
N8 Rh1 P1 92.67(10) . . ?
C11 P1 C27 104.2(2) . . ?
C11 P1 C10 103.6(2) . . ?
C27 P1 C10 108.2(2) . . ?
C11 P1 Rh1 115.15(15) . . ?
C27 P1 Rh1 111.81(14) . . ?
C10 P1 Rh1 113.14(15) . . ?
F12 P2 F10 176.8(5) . . ?
F12 P2 F9 92.2(5) . . ?
F10 P2 F9 87.8(5) . . ?
F12 P2 F11 93.6(5) . . ?
F10 P2 F11 86.3(4) . . ?
F9 P2 F11 173.9(4) . . ?
F12 P2 F8 89.2(4) . . ?
F10 P2 F8 93.9(5) . . ?
F9 P2 F8 88.9(3) . . ?
F11 P2 F8 93.2(3) . . ?
F12 P2 F1 88.5(3) . . ?
F10 P2 F1 88.4(4) . . ?
F9 P2 F1 91.0(2) . . ?
F11 P2 F1 87.2(2) . . ?
F8 P2 F1 177.7(4) . . ?
F6 P3 F4 175.5(5) . . ?
F6 P3 F7 88.4(5) . . ?
F4 P3 F7 95.2(4) . . ?
F6 P3 F5 92.3(4) . . ?
F4 P3 F5 84.0(4) . . ?
F7 P3 F5 178.4(3) . . ?
F6 P3 F2 88.9(3) . . ?
F4 P3 F2 93.6(3) . . ?
F7 P3 F2 92.7(2) . . ?
F5 P3 F2 88.8(2) . . ?
F6 P3 F3 89.0(3) . . ?
F4 P3 F3 88.3(3) . . ?
F7 P3 F3 89.0(2) . . ?
F5 P3 F3 89.6(2) . . ?
F2 P3 F3 177.3(3) . . ?
C16 N3 C6 116.5(4) . . ?
C16 N3 Rh1 130.6(3) . . ?
C6 N3 Rh1 111.8(3) . . ?
C8 N4 C38 109.4(4) . . ?
C8 N4 C6 117.5(4) . . ?
C38 N4 C6 132.9(4) . . ?
C8 N5 C23 108.8(4) . . ?
C8 N5 C24 126.0(4) . . ?
C23 N5 C24 125.1(4) . . ?
C1 N6 C25 109.4(4) . . ?
C1 N6 C24 125.2(4) . . ?
C25 N6 C24 125.1(4) . . ?
C1 N7 C15 109.8(4) . . ?
C1 N7 C33 117.1(4) . . ?
C15 N7 C33 132.9(4) . . ?
C30 N8 C33 117.5(4) . . ?
C30 N8 Rh1 130.7(3) . . ?
C33 N8 Rh1 111.7(3) . . ?
O1 O1 Rh1 109.8(3) 3_757 . ?
N6 C1 N7 106.8(4) . . ?
N6 C1 Rh1 132.3(3) . . ?
N7 C1 Rh1 120.0(3) . . ?
N3 C6 C17 124.2(4) . . ?
N3 C6 N4 113.4(4) . . ?
C17 C6 N4 122.3(4) . . ?
N5 C8 N4 107.3(4) . . ?
N5 C8 Rh1 132.2(3) . . ?
N4 C8 Rh1 119.9(3) . . ?
C20 C10 C19 118.6(4) . . ?
C20 C10 P1 120.9(3) . . ?
C19 C10 P1 120.5(4) . . ?
C12 C11 C13 118.5(4) . . ?
C12 C11 P1 120.1(3) . . ?
C13 C11 P1 121.2(3) . . ?
C34 C12 C11 121.0(5) . . ?
C34 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C39 C13 C11 120.1(5) . . ?
C39 C13 H13 120.0 . . ?
C11 C13 H13 120.0 . . ?
C25 C15 N7 106.9(4) . . ?
C25 C15 H15 126.6 . . ?
N7 C15 H15 126.6 . . ?
N3 C16 C22 123.0(4) . . ?
N3 C16 H16 118.5 . . ?
C22 C16 H16 118.5 . . ?
C6 C17 C37 117.6(5) . . ?
C6 C17 H17 121.2 . . ?
C37 C17 H17 121.2 . . ?
C41 C19 C10 119.8(5) . . ?
C41 C19 H19 120.1 . . ?
C10 C19 H19 120.1 . . ?
C21 C20 C10 120.9(4) . . ?
C21 C20 H20 119.6 . . ?
C10 C20 H20 119.6 . . ?
C42 C21 C20 120.0(5) . . ?
C42 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C37 C22 C16 118.8(5) . . ?
C37 C22 H22 120.6 . . ?
C16 C22 H22 120.6 . . ?
C38 C23 N5 107.7(4) . . ?
C38 C23 H23 126.2 . . ?
N5 C23 H23 126.2 . . ?
N5 C24 N6 111.7(4) . . ?
N5 C24 H24A 109.3 . . ?
N6 C24 H24A 109.3 . . ?
N5 C24 H24B 109.3 . . ?
N6 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C15 C25 N6 107.2(4) . . ?
C15 C25 H25 126.4 . . ?
N6 C25 H25 126.4 . . ?
C29 C26 C27 120.7(5) . . ?
C29 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 118.7(4) . . ?
C28 C27 P1 124.8(3) . . ?
C26 C27 P1 116.1(3) . . ?
C27 C28 C36 120.1(5) . . ?
C27 C28 H28 119.9 . . ?
C36 C28 H28 119.9 . . ?
C26 C29 C35 120.2(5) . . ?
C26 C29 H29 119.9 . . ?
C35 C29 H29 119.9 . . ?
N8 C30 C43 122.4(5) . . ?
N8 C30 H30 118.8 . . ?
C43 C30 H30 118.8 . . ?
C32 C31 C43 120.2(5) . . ?
C32 C31 H31 119.9 . . ?
C43 C31 H31 119.9 . . ?
C31 C32 C33 117.0(5) . . ?
C31 C32 H32 121.5 . . ?
C33 C32 H32 121.5 . . ?
N8 C33 C32 124.0(4) . . ?
N8 C33 N7 113.9(4) . . ?
C32 C33 N7 122.1(4) . . ?
C40 C34 C12 120.0(5) . . ?
C40 C34 H34 120.0 . . ?
C12 C34 H34 120.0 . . ?
C36 C35 C29 119.7(5) . . ?
C36 C35 H35 120.1 . . ?
C29 C35 H35 120.1 . . ?
C35 C36 C28 120.6(5) . . ?
C35 C36 H36 119.7 . . ?
C28 C36 H36 119.7 . . ?
C22 C37 C17 119.8(4) . . ?
C22 C37 H37 120.1 . . ?
C17 C37 H37 120.1 . . ?
C23 C38 N4 106.8(4) . . ?
C23 C38 H38 126.6 . . ?
N4 C38 H38 126.6 . . ?
C40 C39 C13 120.4(5) . . ?
C40 C39 H39 119.8 . . ?
C13 C39 H39 119.8 . . ?
C34 C40 C39 120.0(5) . . ?
C34 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C19 C41 C42 121.1(5) . . ?
C19 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C21 C42 C41 119.7(5) . . ?
C21 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C31 C43 C30 118.8(5) . . ?
C31 C43 H43 120.6 . . ?
C30 C43 H43 120.6 . . ?
N2 C44 C49 179.0(8) . . ?
N1 C47 C48 178.2(8) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 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
C25 N6 C1 N7 0.0(5) . . . . ?
C24 N6 C1 N7 -174.0(4) . . . . ?
C25 N6 C1 Rh1 -168.8(3) . . . . ?
C24 N6 C1 Rh1 17.2(6) . . . . ?
C15 N7 C1 N6 -0.3(5) . . . . ?
C33 N7 C1 N6 -175.6(4) . . . . ?
C15 N7 C1 Rh1 170.1(3) . . . . ?
C33 N7 C1 Rh1 -5.2(5) . . . . ?
C16 N3 C6 C17 3.5(6) . . . . ?
Rh1 N3 C6 C17 173.1(4) . . . . ?
C16 N3 C6 N4 -174.1(4) . . . . ?
Rh1 N3 C6 N4 -4.6(4) . . . . ?
C8 N4 C6 N3 2.5(5) . . . . ?
C38 N4 C6 N3 176.0(5) . . . . ?
C8 N4 C6 C17 -175.2(4) . . . . ?
C38 N4 C6 C17 -1.7(8) . . . . ?
C23 N5 C8 N4 1.6(5) . . . . ?
C24 N5 C8 N4 177.7(4) . . . . ?
C23 N5 C8 Rh1 172.1(4) . . . . ?
C24 N5 C8 Rh1 -11.7(7) . . . . ?
C38 N4 C8 N5 -1.6(5) . . . . ?
C6 N4 C8 N5 173.4(4) . . . . ?
C38 N4 C8 Rh1 -173.5(3) . . . . ?
C6 N4 C8 Rh1 1.4(5) . . . . ?
C11 P1 C10 C20 -169.7(4) . . . . ?
C27 P1 C10 C20 -59.6(4) . . . . ?
Rh1 P1 C10 C20 64.9(4) . . . . ?
C11 P1 C10 C19 13.4(5) . . . . ?
C27 P1 C10 C19 123.6(4) . . . . ?
Rh1 P1 C10 C19 -112.0(4) . . . . ?
C27 P1 C11 C12 147.9(4) . . . . ?
C10 P1 C11 C12 -99.0(4) . . . . ?
Rh1 P1 C11 C12 25.1(4) . . . . ?
C27 P1 C11 C13 -36.4(4) . . . . ?
C10 P1 C11 C13 76.8(4) . . . . ?
Rh1 P1 C11 C13 -159.2(3) . . . . ?
C13 C11 C12 C34 1.0(7) . . . . ?
P1 C11 C12 C34 176.9(3) . . . . ?
C12 C11 C13 C39 -0.1(7) . . . . ?
P1 C11 C13 C39 -175.9(4) . . . . ?
C1 N7 C15 C25 0.5(5) . . . . ?
C33 N7 C15 C25 174.8(4) . . . . ?
C6 N3 C16 C22 -2.5(6) . . . . ?
Rh1 N3 C16 C22 -169.7(3) . . . . ?
N3 C6 C17 C37 -1.6(7) . . . . ?
N4 C6 C17 C37 175.8(4) . . . . ?
C20 C10 C19 C41 0.2(8) . . . . ?
P1 C10 C19 C41 177.1(4) . . . . ?
C19 C10 C20 C21 -0.2(7) . . . . ?
P1 C10 C20 C21 -177.1(4) . . . . ?
C10 C20 C21 C42 0.1(8) . . . . ?
N3 C16 C22 C37 -0.3(7) . . . . ?
C8 N5 C23 C38 -1.0(6) . . . . ?
C24 N5 C23 C38 -177.2(4) . . . . ?
C8 N5 C24 N6 25.7(6) . . . . ?
C23 N5 C24 N6 -158.7(4) . . . . ?
C1 N6 C24 N5 -28.3(6) . . . . ?
C25 N6 C24 N5 158.7(4) . . . . ?
N7 C15 C25 N6 -0.5(5) . . . . ?
C1 N6 C25 C15 0.3(5) . . . . ?
C24 N6 C25 C15 174.3(4) . . . . ?
C29 C26 C27 C28 1.1(7) . . . . ?
C29 C26 C27 P1 -172.3(4) . . . . ?
C11 P1 C27 C28 126.5(4) . . . . ?
C10 P1 C27 C28 16.7(5) . . . . ?
Rh1 P1 C27 C28 -108.5(4) . . . . ?
C11 P1 C27 C26 -60.5(4) . . . . ?
C10 P1 C27 C26 -170.3(3) . . . . ?
Rh1 P1 C27 C26 64.5(4) . . . . ?
C26 C27 C28 C36 -1.0(7) . . . . ?
P1 C27 C28 C36 171.9(4) . . . . ?
C27 C26 C29 C35 0.1(8) . . . . ?
C33 N8 C30 C43 1.9(7) . . . . ?
Rh1 N8 C30 C43 176.6(4) . . . . ?
C43 C31 C32 C33 1.3(9) . . . . ?
C30 N8 C33 C32 -3.4(7) . . . . ?
Rh1 N8 C33 C32 -179.1(4) . . . . ?
C30 N8 C33 N7 177.4(4) . . . . ?
Rh1 N8 C33 N7 1.7(5) . . . . ?
C31 C32 C33 N8 1.8(8) . . . . ?
C31 C32 C33 N7 -179.0(5) . . . . ?
C1 N7 C33 N8 1.9(6) . . . . ?
C15 N7 C33 N8 -172.2(4) . . . . ?
C1 N7 C33 C32 -177.4(4) . . . . ?
C15 N7 C33 C32 8.5(7) . . . . ?
C11 C12 C34 C40 -0.8(7) . . . . ?
C26 C29 C35 C36 -1.5(9) . . . . ?
C29 C35 C36 C28 1.7(9) . . . . ?
C27 C28 C36 C35 -0.4(8) . . . . ?
C16 C22 C37 C17 2.3(8) . . . . ?
C6 C17 C37 C22 -1.4(8) . . . . ?
N5 C23 C38 N4 0.0(6) . . . . ?
C8 N4 C38 C23 1.0(6) . . . . ?
C6 N4 C38 C23 -172.9(5) . . . . ?
C11 C13 C39 C40 -1.0(8) . . . . ?
C12 C34 C40 C39 -0.3(8) . . . . ?
C13 C39 C40 C34 1.2(8) . . . . ?
C10 C19 C41 C42 -0.2(9) . . . . ?
C20 C21 C42 C41 -0.1(9) . . . . ?
C19 C41 C42 C21 0.1(10) . . . . ?
C32 C31 C43 C30 -2.6(9) . . . . ?
N8 C30 C43 C31 1.0(8) . . . . ?

_refine_diff_density_max         1.254
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.106

####################################################################### 
# 
# 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_160405_YXF160329_B
_database_code_depnum_ccdc_archive 'CCDC 1883813'
loop_
_audit_author_name
_audit_author_address
'Wanzhi Chen'
;Zhejiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H34 N14 O2 Rh2, 4(F6 P), 2(C2 H3 N)'
_chemical_formula_sum            'C42 H40 F24 N16 O2 P4 Rh2'
_chemical_formula_weight         1586.60

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.146(3)
_cell_length_b                   12.035(3)
_cell_length_c                   12.880(3)
_cell_angle_alpha                79.125(18)
_cell_angle_beta                 69.88(2)
_cell_angle_gamma                65.98(2)
_cell_volume                     1479.4(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2374
_cell_measurement_theta_min      3.1968
_cell_measurement_theta_max      29.3778

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_F_000             786
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.794
_shelx_estimated_absorpt_T_min   0.797
_shelx_estimated_absorpt_T_max   0.925
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7967
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9151
_diffrn_reflns_av_unetI/netI     0.0925
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.203
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             5190
_reflns_number_gt                3887
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0823P)²] 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         5190
_refine_ls_number_parameters     435
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0630
_refine_ls_wR_factor_ref         0.1652
_refine_ls_wR_factor_gt          0.1426
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.37068(5) 0.08260(4) 0.37853(4) 0.0406(2) Uani 1 1 d . . . . .
P2 P 0.1004(2) 0.54472(19) 0.6799(2) 0.0854(7) Uani 1 1 d . . . . .
P3 P 0.5733(3) 0.2216(2) 0.92119(19) 0.0761(6) Uani 1 1 d . . . . .
N1 N 0.1755(5) 0.0932(4) 0.5076(4) 0.0480(13) Uani 1 1 d . . . . .
N2 N 0.2856(6) -0.1118(4) 0.4801(5) 0.0544(14) Uani 1 1 d . . . . .
N3 N 0.4888(6) -0.1857(4) 0.3649(5) 0.0525(14) Uani 1 1 d . . . . .
N4 N 0.6443(5) -0.0834(5) 0.2508(5) 0.0548(14) Uani 1 1 d . . . . .
N5 N 0.6196(5) 0.1044(5) 0.2391(4) 0.0514(13) Uani 1 1 d . . . . .
N6 N 0.4151(5) 0.2492(4) 0.3323(4) 0.0445(12) Uani 1 1 d . . . . .
N7 N 0.2830(5) 0.1224(4) 0.2531(4) 0.0437(12) Uani 1 1 d . . . . .
N8 N 0.9282(10) 0.2461(11) 0.9911(10) 0.143(4) Uani 1 1 d . . . . .
O1 O 0.4449(4) 0.0592(3) 0.5016(4) 0.0490(10) Uani 1 1 d . . . . .
F1 F -0.0545(7) 0.5894(7) 0.7120(11) 0.209(5) Uani 1 1 d . . . . .
F2 F 0.1161(9) 0.4201(6) 0.6553(11) 0.198(4) Uani 1 1 d . . . . .
F3 F 0.064(3) 0.526(3) 0.8086(19) 0.202(14) Uani 0.5 1 d . . P . .
F4 F 0.252(3) 0.503(4) 0.614(2) 0.160(12) Uani 0.5 1 d . . P . .
F5 F 0.0909(9) 0.6694(6) 0.7013(11) 0.226(5) Uani 1 1 d . . . . .
F6 F 0.104(3) 0.619(2) 0.571(2) 0.162(11) Uani 0.5 1 d . . P . .
F7 F 0.5725(10) 0.3267(9) 0.9716(11) 0.233(5) Uani 1 1 d . . . . .
F8 F 0.6395(9) 0.2671(11) 0.8068(8) 0.232(5) Uani 1 1 d . . . . .
F9 F 0.7178(7) 0.1419(6) 0.9354(6) 0.152(3) Uani 1 1 d . . . . .
F10 F 0.5731(11) 0.1205(5) 0.8695(9) 0.230(5) Uani 1 1 d . . . . .
F11 F 0.5045(11) 0.1844(14) 1.0359(6) 0.268(7) Uani 1 1 d . . . . .
F12 F 0.4293(6) 0.3052(5) 0.9017(6) 0.132(2) Uani 1 1 d . . . . .
C1 C 0.3361(8) 0.3641(6) 0.3635(6) 0.0636(19) Uani 1 1 d . . . . .
H1 H 0.246618 0.380786 0.409965 0.076 Uiso 1 1 calc R U . . .
C2 C 0.3854(10) 0.4571(7) 0.3280(8) 0.081(2) Uani 1 1 d . . . . .
H2 H 0.329717 0.535683 0.350321 0.097 Uiso 1 1 calc R U . . .
C3 C 0.5165(11) 0.4329(8) 0.2598(8) 0.089(3) Uani 1 1 d . . . . .
H3 H 0.549811 0.495500 0.234279 0.107 Uiso 1 1 calc R U . . .
C4 C 0.6002(9) 0.3152(7) 0.2284(7) 0.073(2) Uani 1 1 d . . . . .
H4 H 0.690492 0.296398 0.183180 0.088 Uiso 1 1 calc R U . . .
C5 C 0.5432(7) 0.2276(6) 0.2675(5) 0.0548(16) Uani 1 1 d . . . . .
C6 C 0.7560(8) 0.0416(9) 0.1796(6) 0.075(2) Uani 1 1 d . . . . .
H6 H 0.823429 0.073880 0.142265 0.091 Uiso 1 1 calc R U . . .
C7 C 0.7687(7) -0.0747(8) 0.1880(6) 0.071(2) Uani 1 1 d . . . . .
H7 H 0.848397 -0.139286 0.156682 0.085 Uiso 1 1 calc R U . . .
C8 C 0.6220(8) -0.1967(6) 0.2878(7) 0.076(2) Uani 1 1 d . . . . .
H8A H 0.634637 -0.235720 0.223392 0.091 Uiso 1 1 calc R U . . .
H8B H 0.691996 -0.250115 0.322244 0.091 Uiso 1 1 calc R U . . .
C9 C 0.4524(9) -0.2820(6) 0.4231(7) 0.071(2) Uani 1 1 d . . . . .
H9 H 0.506472 -0.364137 0.413404 0.085 Uiso 1 1 calc R U . . .
C10 C 0.3278(9) -0.2383(6) 0.4949(7) 0.072(2) Uani 1 1 d . . . . .
H10 H 0.278785 -0.282844 0.544702 0.086 Uiso 1 1 calc R U . . .
C11 C 0.1702(7) -0.0181(6) 0.5393(6) 0.0509(15) Uani 1 1 d . . . . .
C12 C 0.0635(9) -0.0385(8) 0.6234(7) 0.078(2) Uani 1 1 d . . . . .
H12 H 0.062386 -0.116454 0.644403 0.094 Uiso 1 1 calc R U . . .
C13 C 0.0710(7) 0.1882(6) 0.5624(6) 0.0620(18) Uani 1 1 d . . . . .
H13 H 0.074137 0.265670 0.542897 0.074 Uiso 1 1 calc R U . . .
C14 C -0.0390(8) 0.1754(9) 0.6453(7) 0.083(2) Uani 1 1 d . . . . .
H14 H -0.110499 0.242842 0.680653 0.099 Uiso 1 1 calc R U . . .
C15 C -0.0418(9) 0.0628(9) 0.6748(8) 0.087(2) Uani 1 1 d . . . . .
H15 H -0.116446 0.053083 0.731205 0.104 Uiso 1 1 calc R U . . .
C16 C 0.3848(6) -0.0827(5) 0.4033(5) 0.0456(15) Uani 1 1 d . . . . .
C17 C 0.5539(6) 0.0262(5) 0.2819(5) 0.0459(15) Uani 1 1 d . . . . .
C18 C 0.2460(7) 0.1434(6) 0.1797(6) 0.0540(16) Uani 1 1 d . . . . .
C19 C 0.1961(10) 0.1707(8) 0.0827(7) 0.091(3) Uani 1 1 d . . . . .
H19A H 0.250691 0.207696 0.023686 0.136 Uiso 1 1 calc R U . . .
H19B H 0.101700 0.225594 0.101827 0.136 Uiso 1 1 calc R U . . .
H19C H 0.203229 0.096537 0.059237 0.136 Uiso 1 1 calc R U . . .
C20 C 0.7759(13) 0.4633(11) 0.9420(13) 0.170(6) Uani 1 1 d . . . . .
H20A H 0.795755 0.477184 0.863050 0.256 Uiso 1 1 calc R U . . .
H20B H 0.790815 0.522593 0.971348 0.256 Uiso 1 1 calc R U . . .
H20C H 0.681755 0.470364 0.974119 0.256 Uiso 1 1 calc R U . . .
C21 C 0.8636(11) 0.3448(13) 0.9677(10) 0.108(4) Uani 1 1 d . . . . .
F0AA F 0.126(3) 0.466(2) 0.7777(19) 0.190(13) Uani 0.5 1 d . . P . .
F1AA F 0.253(2) 0.506(3) 0.669(3) 0.143(13) Uani 0.5 1 d . . P . .
F2AA F 0.096(4) 0.556(3) 0.555(3) 0.28(2) Uani 0.5 1 d . . P . .


_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 C17 1.903(6) . ?
Rh1 C16 1.904(6) . ?
Rh1 O1 1.954(4) . ?
Rh1 N7 2.051(5) . ?
Rh1 N6 2.184(5) . ?
Rh1 N1 2.209(5) . ?
P2 F0AA 1.46(2) . ?
P2 F1 1.509(7) . ?
P2 F6 1.512(18) . ?
P2 F4 1.52(3) . ?
P2 F2 1.519(7) . ?
P2 F1AA 1.53(2) . ?
P2 F5 1.532(7) . ?
P2 F3 1.56(2) . ?
P2 F2AA 1.61(3) . ?
P3 F11 1.491(8) . ?
P3 F10 1.494(6) . ?
P3 F8 1.514(8) . ?
P3 F7 1.523(7) . ?
P3 F9 1.558(6) . ?
P3 F12 1.587(6) . ?
N1 C11 1.343(8) . ?
N1 C13 1.348(8) . ?
N2 C16 1.325(8) . ?
N2 C10 1.395(8) . ?
N2 C11 1.405(8) . ?
N3 C16 1.339(7) . ?
N3 C9 1.384(9) . ?
N3 C8 1.443(10) . ?
N4 C17 1.325(7) . ?
N4 C7 1.380(9) . ?
N4 C8 1.448(9) . ?
N5 C17 1.347(8) . ?
N5 C6 1.397(9) . ?
N5 C5 1.421(8) . ?
N6 C5 1.328(8) . ?
N6 C1 1.351(8) . ?
N7 C18 1.105(8) . ?
N8 C21 1.157(14) . ?
O1 O1 1.450(7) 2_656 ?
F3 F0AA 0.82(3) . ?
F4 F1AA 0.72(4) . ?
F6 F2AA 0.87(4) . ?
C1 C2 1.378(10) . ?
C1 H1 0.9300 . ?
C2 C3 1.363(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(10) . ?
C4 H4 0.9300 . ?
C6 C7 1.336(11) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.330(11) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.378(10) . ?
C12 C15 1.382(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.363(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.346(12) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C18 C19 1.467(9) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.417(17) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
F0AA F1AA 1.77(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
C17 Rh1 C16 87.4(3) . . ?
C17 Rh1 O1 88.9(2) . . ?
C16 Rh1 O1 88.8(2) . . ?
C17 Rh1 N7 93.9(2) . . ?
C16 Rh1 N7 95.3(2) . . ?
O1 Rh1 N7 175.06(15) . . ?
C17 Rh1 N6 77.6(2) . . ?
C16 Rh1 N6 164.4(2) . . ?
O1 Rh1 N6 86.66(17) . . ?
N7 Rh1 N6 90.00(18) . . ?
C17 Rh1 N1 163.7(2) . . ?
C16 Rh1 N1 77.1(2) . . ?
O1 Rh1 N1 85.63(19) . . ?
N7 Rh1 N1 92.69(19) . . ?
N6 Rh1 N1 117.37(19) . . ?
F0AA P2 F1 100.6(14) . . ?
F0AA P2 F6 169.0(16) . . ?
F1 P2 F6 90.4(11) . . ?
F0AA P2 F4 93.7(17) . . ?
F1 P2 F4 163.1(13) . . ?
F6 P2 F4 75.4(18) . . ?
F0AA P2 F2 75.0(12) . . ?
F1 P2 F2 92.1(5) . . ?
F6 P2 F2 104.9(11) . . ?
F4 P2 F2 82.9(15) . . ?
F0AA P2 F1AA 72.4(18) . . ?
F1 P2 F1AA 169.4(12) . . ?
F6 P2 F1AA 96.7(16) . . ?
F4 P2 F1AA 27.3(16) . . ?
F2 P2 F1AA 93.7(11) . . ?
F0AA P2 F5 105.5(14) . . ?
F1 P2 F5 90.2(5) . . ?
F6 P2 F5 74.1(10) . . ?
F4 P2 F5 94.7(14) . . ?
F2 P2 F5 177.5(5) . . ?
F1AA P2 F5 84.2(12) . . ?
F0AA P2 F3 31.3(12) . . ?
F1 P2 F3 79.3(12) . . ?
F6 P2 F3 154.8(15) . . ?
F4 P2 F3 117.4(17) . . ?
F2 P2 F3 98.5(11) . . ?
F1AA P2 F3 91.0(16) . . ?
F5 P2 F3 82.9(11) . . ?
F0AA P2 F2AA 148.1(16) . . ?
F1 P2 F2AA 85.6(16) . . ?
F6 P2 F2AA 32.1(14) . . ?
F4 P2 F2AA 77.4(18) . . ?
F2 P2 F2AA 73.4(13) . . ?
F1AA P2 F2AA 104.5(18) . . ?
F5 P2 F2AA 105.8(13) . . ?
F3 P2 F2AA 163(2) . . ?
F11 P3 F10 94.3(7) . . ?
F11 P3 F8 176.5(8) . . ?
F10 P3 F8 88.8(7) . . ?
F11 P3 F7 86.8(7) . . ?
F10 P3 F7 178.6(6) . . ?
F8 P3 F7 90.1(7) . . ?
F11 P3 F9 91.0(5) . . ?
F10 P3 F9 91.1(4) . . ?
F8 P3 F9 90.5(5) . . ?
F7 P3 F9 89.8(4) . . ?
F11 P3 F12 91.5(5) . . ?
F10 P3 F12 89.0(4) . . ?
F8 P3 F12 87.0(4) . . ?
F7 P3 F12 90.0(4) . . ?
F9 P3 F12 177.5(5) . . ?
C11 N1 C13 117.5(6) . . ?
C11 N1 Rh1 111.1(4) . . ?
C13 N1 Rh1 131.2(5) . . ?
C16 N2 C10 109.3(6) . . ?
C16 N2 C11 118.5(5) . . ?
C10 N2 C11 131.7(7) . . ?
C16 N3 C9 107.5(6) . . ?
C16 N3 C8 126.9(6) . . ?
C9 N3 C8 125.2(6) . . ?
C17 N4 C7 109.3(6) . . ?
C17 N4 C8 125.6(6) . . ?
C7 N4 C8 124.8(6) . . ?
C17 N5 C6 110.0(6) . . ?
C17 N5 C5 116.4(5) . . ?
C6 N5 C5 133.5(7) . . ?
C5 N6 C1 118.0(6) . . ?
C5 N6 Rh1 111.8(4) . . ?
C1 N6 Rh1 130.2(5) . . ?
C18 N7 Rh1 174.2(6) . . ?
O1 O1 Rh1 110.0(3) 2_656 . ?
F0AA F3 P2 68(3) . . ?
F1AA F4 P2 77(3) . . ?
F2AA F6 P2 80(3) . . ?
N6 C1 C2 121.4(8) . . ?
N6 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C3 C2 C1 119.4(8) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 120.2(7) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 116.8(8) . . ?
C5 C4 H4 121.6 . . ?
C3 C4 H4 121.6 . . ?
N6 C5 C4 124.2(7) . . ?
N6 C5 N5 114.5(6) . . ?
C4 C5 N5 121.3(7) . . ?
C7 C6 N5 105.1(7) . . ?
C7 C6 H6 127.4 . . ?
N5 C6 H6 127.4 . . ?
C6 C7 N4 108.8(7) . . ?
C6 C7 H7 125.6 . . ?
N4 C7 H7 125.6 . . ?
N3 C8 N4 115.5(5) . . ?
N3 C8 H8A 108.4 . . ?
N4 C8 H8A 108.4 . . ?
N3 C8 H8B 108.4 . . ?
N4 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C10 C9 N3 109.0(6) . . ?
C10 C9 H9 125.5 . . ?
N3 C9 H9 125.5 . . ?
C9 C10 N2 105.8(7) . . ?
C9 C10 H10 127.1 . . ?
N2 C10 H10 127.1 . . ?
N1 C11 C12 123.2(6) . . ?
N1 C11 N2 113.5(6) . . ?
C12 C11 N2 123.4(6) . . ?
C11 C12 C15 116.6(7) . . ?
C11 C12 H12 121.7 . . ?
C15 C12 H12 121.7 . . ?
N1 C13 C14 122.6(7) . . ?
N1 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C15 C14 C13 118.5(8) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C14 C15 C12 121.6(8) . . ?
C14 C15 H15 119.2 . . ?
C12 C15 H15 119.2 . . ?
N2 C16 N3 108.4(5) . . ?
N2 C16 Rh1 119.7(4) . . ?
N3 C16 Rh1 131.4(5) . . ?
N4 C17 N5 106.9(6) . . ?
N4 C17 Rh1 133.1(5) . . ?
N5 C17 Rh1 119.7(4) . . ?
N7 C18 C19 179.5(8) . . ?
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 . . ?
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 . . ?
N8 C21 C20 175.8(13) . . ?
F3 F0AA P2 81(3) . . ?
F3 F0AA F1AA 111(4) . . ?
P2 F0AA F1AA 55.5(12) . . ?
F4 F1AA P2 75(3) . . ?
F4 F1AA F0AA 115(5) . . ?
P2 F1AA F0AA 52.1(12) . . ?
F6 F2AA P2 68(3) . . ?

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
F1 P2 F3 F0AA 132(4) . . . . ?
F6 P2 F3 F0AA -160(4) . . . . ?
F4 P2 F3 F0AA -45(5) . . . . ?
F2 P2 F3 F0AA 42(4) . . . . ?
F1AA P2 F3 F0AA -52(4) . . . . ?
F5 P2 F3 F0AA -136(4) . . . . ?
F2AA P2 F3 F0AA 102(7) . . . . ?
F0AA P2 F4 F1AA -38(6) . . . . ?
F1 P2 F4 F1AA 174.0(18) . . . . ?
F6 P2 F4 F1AA 140(6) . . . . ?
F2 P2 F4 F1AA -113(6) . . . . ?
F5 P2 F4 F1AA 68(6) . . . . ?
F3 P2 F4 F1AA -17(6) . . . . ?
F2AA P2 F4 F1AA 173(6) . . . . ?
F0AA P2 F6 F2AA 100(8) . . . . ?
F1 P2 F6 F2AA -81(4) . . . . ?
F4 P2 F6 F2AA 89(4) . . . . ?
F2 P2 F6 F2AA 11(4) . . . . ?
F1AA P2 F6 F2AA 107(4) . . . . ?
F5 P2 F6 F2AA -171(4) . . . . ?
F3 P2 F6 F2AA -146(4) . . . . ?
C5 N6 C1 C2 1.2(10) . . . . ?
Rh1 N6 C1 C2 177.4(5) . . . . ?
N6 C1 C2 C3 0.1(12) . . . . ?
C1 C2 C3 C4 -1.3(14) . . . . ?
C2 C3 C4 C5 1.3(13) . . . . ?
C1 N6 C5 C4 -1.2(10) . . . . ?
Rh1 N6 C5 C4 -178.1(5) . . . . ?
C1 N6 C5 N5 179.5(5) . . . . ?
Rh1 N6 C5 N5 2.6(6) . . . . ?
C3 C4 C5 N6 0.0(11) . . . . ?
C3 C4 C5 N5 179.2(7) . . . . ?
C17 N5 C5 N6 -0.7(8) . . . . ?
C6 N5 C5 N6 -176.0(6) . . . . ?
C17 N5 C5 C4 180.0(6) . . . . ?
C6 N5 C5 C4 4.7(11) . . . . ?
C17 N5 C6 C7 0.3(8) . . . . ?
C5 N5 C6 C7 175.8(6) . . . . ?
N5 C6 C7 N4 -0.1(8) . . . . ?
C17 N4 C7 C6 -0.1(8) . . . . ?
C8 N4 C7 C6 -173.0(7) . . . . ?
C16 N3 C8 N4 1.3(10) . . . . ?
C9 N3 C8 N4 -170.1(6) . . . . ?
C17 N4 C8 N3 0.1(10) . . . . ?
C7 N4 C8 N3 171.9(6) . . . . ?
C16 N3 C9 C10 0.6(8) . . . . ?
C8 N3 C9 C10 173.4(6) . . . . ?
N3 C9 C10 N2 0.5(8) . . . . ?
C16 N2 C10 C9 -1.4(8) . . . . ?
C11 N2 C10 C9 -172.9(6) . . . . ?
C13 N1 C11 C12 0.7(9) . . . . ?
Rh1 N1 C11 C12 176.0(5) . . . . ?
C13 N1 C11 N2 -177.9(5) . . . . ?
Rh1 N1 C11 N2 -2.5(6) . . . . ?
C16 N2 C11 N1 0.8(8) . . . . ?
C10 N2 C11 N1 171.7(6) . . . . ?
C16 N2 C11 C12 -177.7(6) . . . . ?
C10 N2 C11 C12 -6.8(11) . . . . ?
N1 C11 C12 C15 0.6(11) . . . . ?
N2 C11 C12 C15 179.0(7) . . . . ?
C11 N1 C13 C14 -1.7(10) . . . . ?
Rh1 N1 C13 C14 -175.9(6) . . . . ?
N1 C13 C14 C15 1.3(12) . . . . ?
C13 C14 C15 C12 0.1(14) . . . . ?
C11 C12 C15 C14 -1.0(13) . . . . ?
C10 N2 C16 N3 1.8(7) . . . . ?
C11 N2 C16 N3 174.6(5) . . . . ?
C10 N2 C16 Rh1 -171.0(4) . . . . ?
C11 N2 C16 Rh1 1.8(7) . . . . ?
C9 N3 C16 N2 -1.5(7) . . . . ?
C8 N3 C16 N2 -174.1(6) . . . . ?
C9 N3 C16 Rh1 170.2(5) . . . . ?
C8 N3 C16 Rh1 -2.4(10) . . . . ?
C7 N4 C17 N5 0.3(7) . . . . ?
C8 N4 C17 N5 173.1(6) . . . . ?
C7 N4 C17 Rh1 -173.5(5) . . . . ?
C8 N4 C17 Rh1 -0.6(10) . . . . ?
C6 N5 C17 N4 -0.3(7) . . . . ?
C5 N5 C17 N4 -176.7(5) . . . . ?
C6 N5 C17 Rh1 174.4(4) . . . . ?
C5 N5 C17 Rh1 -2.0(7) . . . . ?
P2 F3 F0AA F1AA 47(2) . . . . ?
F1 P2 F0AA F3 -48(4) . . . . ?
F6 P2 F0AA F3 132(6) . . . . ?
F4 P2 F0AA F3 141(4) . . . . ?
F2 P2 F0AA F3 -137(4) . . . . ?
F1AA P2 F0AA F3 124(4) . . . . ?
F5 P2 F0AA F3 45(4) . . . . ?
F2AA P2 F0AA F3 -147(4) . . . . ?
F1 P2 F0AA F1AA -171.8(12) . . . . ?
F6 P2 F0AA F1AA 8(8) . . . . ?
F4 P2 F0AA F1AA 17(2) . . . . ?
F2 P2 F0AA F1AA 98.9(11) . . . . ?
F5 P2 F0AA F1AA -78.5(12) . . . . ?
F3 P2 F0AA F1AA -124(4) . . . . ?
F2AA P2 F0AA F1AA 89(4) . . . . ?
P2 F4 F1AA F0AA 34(4) . . . . ?
F0AA P2 F1AA F4 140(6) . . . . ?
F1 P2 F1AA F4 -170(3) . . . . ?
F6 P2 F1AA F4 -39(6) . . . . ?
F2 P2 F1AA F4 67(6) . . . . ?
F5 P2 F1AA F4 -112(6) . . . . ?
F3 P2 F1AA F4 165(6) . . . . ?
F2AA P2 F1AA F4 -7(6) . . . . ?
F1 P2 F1AA F0AA 50(7) . . . . ?
F6 P2 F1AA F0AA -178.5(16) . . . . ?
F4 P2 F1AA F0AA -140(6) . . . . ?
F2 P2 F1AA F0AA -73.0(12) . . . . ?
F5 P2 F1AA F0AA 108.3(13) . . . . ?
F3 P2 F1AA F0AA 25.5(16) . . . . ?
F2AA P2 F1AA F0AA -146.9(18) . . . . ?
F3 F0AA F1AA F4 -106(8) . . . . ?
P2 F0AA F1AA F4 -44(6) . . . . ?
F3 F0AA F1AA P2 -62(4) . . . . ?
F0AA P2 F2AA F6 -159(3) . . . . ?
F1 P2 F2AA F6 98(4) . . . . ?
F4 P2 F2AA F6 -83(4) . . . . ?
F2 P2 F2AA F6 -169(4) . . . . ?
F1AA P2 F2AA F6 -79(4) . . . . ?
F5 P2 F2AA F6 9(4) . . . . ?
F3 P2 F2AA F6 127(6) . . . . ?

_refine_diff_density_max         1.031
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.106

####################################################################### 
# 
# 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_160427_yxf160420_B
_database_code_depnum_ccdc_archive 'CCDC 1883812'
loop_
_audit_author_name
_audit_author_address
'Wanzhi Chen'
;Zhejiang University
China
;
_audit_update_record             
;
2019-02-20 deposited with the CCDC.	2019-02-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C70 H94 N12 O2 P2 Rh2, 4(F6 P), C4 H10 O, 2(C2 H3 N)'
_chemical_formula_sum            'C78 H110 F24 N14 O3 P6 Rh2'
_chemical_formula_weight         2139.43

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1037(15)
_cell_length_b                   14.8822(17)
_cell_length_c                   15.3583(11)
_cell_angle_alpha                104.336(8)
_cell_angle_beta                 111.184(9)
_cell_angle_gamma                106.435(10)
_cell_volume                     2465.1(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5226
_cell_measurement_theta_min      2.8389
_cell_measurement_theta_max      29.1450

_exptl_crystal_description       Plate
_exptl_crystal_colour            deep-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_F_000             1096
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.460
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.528
_shelx_estimated_absorpt_T_min   0.786
_shelx_estimated_absorpt_T_max   0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_T_max  0.8569
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15616
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.845
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.009
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8675
_reflns_number_gt                7158
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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     
'w=1/[σ²(Fo²)+(0.0719P)²+1.4606P] 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         8675
_refine_ls_number_parameters     655
_refine_ls_number_restraints     140
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1456
_refine_ls_wR_factor_gt          0.1314
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C38 C 0.1967(13) 0.1304(15) 0.3130(16) 0.129(6) Uani 0.5 1 d D U P . .
H38A H 0.177238 0.166496 0.270076 0.193 Uiso 0.5 1 calc R U P . .
H38B H 0.124572 0.075686 0.297929 0.193 Uiso 0.5 1 calc R U P . .
H38C H 0.251022 0.103188 0.301395 0.193 Uiso 0.5 1 calc R U P . .
C41 C 0.492(2) 0.417(2) 0.5762(15) 0.204(12) Uani 0.5 1 d D U P . .
H41A H 0.494672 0.446544 0.527732 0.306 Uiso 0.5 1 calc R U P . .
H41B H 0.565127 0.407660 0.605376 0.306 Uiso 0.5 1 calc R U P . .
H41C H 0.485372 0.461185 0.628833 0.306 Uiso 0.5 1 calc R U P . .
C40 C 0.386(3) 0.315(2) 0.524(3) 0.202(12) Uani 0.5 1 d D U P . .
H40A H 0.409874 0.269291 0.553837 0.243 Uiso 0.5 1 calc R U P . .
H40B H 0.323234 0.324057 0.539744 0.243 Uiso 0.5 1 calc R U P . .
Rh1 Rh 0.63239(2) 0.17614(2) 0.07578(2) 0.03066(12) Uani 1 1 d . . . . .
P1 P 0.76866(9) 0.34758(8) 0.12196(9) 0.0388(3) Uani 1 1 d . . . . .
P4 P 0.85633(18) 0.79000(17) 0.9893(2) 0.0932(6) Uani 1 1 d . . . . .
F10 F 0.8550(12) 0.8660(7) 1.0816(10) 0.124(3) Uani 0.5 1 d . U P . .
F11 F 0.9968(9) 0.8264(10) 1.0518(12) 0.136(4) Uani 0.5 1 d . U P . .
F7 F 0.907(3) 0.727(2) 0.957(3) 0.279(14) Uani 0.5 1 d . U P . .
F9 F 0.8370(11) 0.7207(7) 1.0404(8) 0.270(5) Uani 1 1 d . U . . .
F12 F 0.8981(10) 0.8750(8) 0.9509(9) 0.258(5) Uani 1 1 d . U . . .
F8 F 0.7200(9) 0.7267(12) 0.9391(14) 0.170(5) Uani 0.5 1 d . U P . .
O1 O 0.5116(2) 0.03813(19) 0.0468(2) 0.0390(6) Uani 1 1 d . . . . .
N6 N 0.4973(3) 0.1597(2) -0.0705(3) 0.0376(8) Uani 1 1 d . . . . .
N5 N 0.6146(3) 0.0900(3) -0.1180(3) 0.0418(8) Uani 1 1 d . . . . .
N4 N 0.7628(3) 0.0768(3) -0.0083(3) 0.0467(9) Uani 1 1 d . . . . .
N3 N 0.8233(3) 0.1086(3) 0.1683(3) 0.0495(10) Uani 1 1 d . . . . .
N2 N 0.7441(3) 0.1567(3) 0.2617(3) 0.0491(9) Uani 1 1 d . . . . .
N1 N 0.5934(3) 0.2122(2) 0.2062(3) 0.0408(8) Uani 1 1 d . . . . .
C10 C 0.6803(4) 0.1153(3) -0.0184(3) 0.0371(9) Uani 1 1 d . . . . .
C19 C 0.6945(4) 0.3839(4) -0.0611(4) 0.0571(13) Uani 1 1 d . . . . .
H19A H 0.628233 0.317246 -0.094332 0.069 Uiso 1 1 calc R U . . .
H19B H 0.668349 0.432618 -0.031340 0.069 Uiso 1 1 calc R U . . .
C30 C 0.9200(4) 0.3794(3) 0.2255(4) 0.0500(11) Uani 1 1 d . . . . .
H30 H 0.932997 0.316891 0.209875 0.060 Uiso 1 1 calc R U . . .
C13 C 0.5144(4) 0.1143(3) -0.1475(3) 0.0408(10) Uani 1 1 d . . . . .
C18 C 0.8018(4) 0.3828(3) 0.0237(4) 0.0457(10) Uani 1 1 d . . . . .
H18 H 0.863631 0.452708 0.058746 0.055 Uiso 1 1 calc R U . . .
C5 C 0.6604(4) 0.1902(3) 0.2806(3) 0.0495(11) Uani 1 1 d . . . . .
C9 C 0.8569(4) 0.0922(4) 0.0870(4) 0.0609(14) Uani 1 1 d . . . . .
H9A H 0.928560 0.150720 0.105738 0.073 Uiso 1 1 calc R U . . .
H9B H 0.875771 0.033176 0.078660 0.073 Uiso 1 1 calc R U . . .
C22 C 0.8865(5) 0.3490(4) -0.0992(5) 0.0676(15) Uani 1 1 d . . . . .
H22A H 0.949094 0.417619 -0.066171 0.081 Uiso 1 1 calc R U . . .
H22B H 0.916649 0.303635 -0.128249 0.081 Uiso 1 1 calc R U . . .
C24 C 0.7168(4) 0.4410(3) 0.1763(4) 0.0488(11) Uani 1 1 d . . . . .
H24 H 0.724040 0.435514 0.240354 0.059 Uiso 1 1 calc R U . . .
C25 C 0.5831(4) 0.4152(3) 0.1125(4) 0.0557(12) Uani 1 1 d . . . . .
H25A H 0.570595 0.423151 0.049128 0.067 Uiso 1 1 calc R U . . .
H25B H 0.535298 0.344797 0.096631 0.067 Uiso 1 1 calc R U . . .
C12 C 0.6578(5) 0.0344(4) -0.1717(4) 0.0595(13) Uani 1 1 d . . . . .
H12 H 0.628180 0.007725 -0.241736 0.071 Uiso 1 1 calc R U . . .
C23 C 0.8557(4) 0.3180(4) -0.0208(4) 0.0555(12) Uani 1 1 d . . . . .
H23A H 0.799211 0.247159 -0.052687 0.067 Uiso 1 1 calc R U . . .
H23B H 0.928097 0.324527 0.033509 0.067 Uiso 1 1 calc R U . . .
C14 C 0.4432(5) 0.0946(4) -0.2468(4) 0.0609(13) Uani 1 1 d . . . . .
H14 H 0.460179 0.065860 -0.298026 0.073 Uiso 1 1 calc R U . . .
C17 C 0.3991(4) 0.1793(3) -0.0936(4) 0.0480(11) Uani 1 1 d . . . . .
H17 H 0.382933 0.207205 -0.041498 0.058 Uiso 1 1 calc R U . . .
C1 C 0.5097(5) 0.2403(4) 0.2176(4) 0.0559(12) Uani 1 1 d . . . . .
H1 H 0.460069 0.252926 0.165518 0.067 Uiso 1 1 calc R U . . .
C11 C 0.7491(5) 0.0269(4) -0.1038(5) 0.0630(14) Uani 1 1 d . . . . .
H11 H 0.795575 -0.005912 -0.117680 0.076 Uiso 1 1 calc R U . . .
C8 C 0.7460(3) 0.1497(3) 0.1730(3) 0.0401(10) Uani 1 1 d . . . . .
C16 C 0.3216(5) 0.1596(4) -0.1912(5) 0.0676(15) Uani 1 1 d . . . . .
H16 H 0.254002 0.173687 -0.205186 0.081 Uiso 1 1 calc R U . . .
C4 C 0.6488(6) 0.1994(5) 0.3677(4) 0.0766(17) Uani 1 1 d . . . . .
H4 H 0.697281 0.184571 0.418364 0.092 Uiso 1 1 calc R U . . .
C20 C 0.7258(6) 0.4119(5) -0.1397(5) 0.0739(16) Uani 1 1 d . . . . .
H20A H 0.654048 0.405699 -0.194455 0.089 Uiso 1 1 calc R U . . .
H20B H 0.783617 0.482249 -0.108747 0.089 Uiso 1 1 calc R U . . .
C31 C 1.0307(4) 0.4628(4) 0.2370(5) 0.0688(15) Uani 1 1 d . . . . .
H31A H 1.030954 0.450100 0.172013 0.083 Uiso 1 1 calc R U . . .
H31B H 1.028620 0.528738 0.260307 0.083 Uiso 1 1 calc R U . . .
C21 C 0.7774(6) 0.3448(5) -0.1824(5) 0.0769(17) Uani 1 1 d . . . . .
H21A H 0.799351 0.366681 -0.230041 0.092 Uiso 1 1 calc R U . . .
H21B H 0.717147 0.275135 -0.218873 0.092 Uiso 1 1 calc R U . . .
C26 C 0.5430(6) 0.4841(4) 0.1696(6) 0.0792(18) Uani 1 1 d . . . . .
H26A H 0.550611 0.472790 0.230727 0.095 Uiso 1 1 calc R U . . .
H26B H 0.459051 0.467602 0.127698 0.095 Uiso 1 1 calc R U . . .
C7 C 0.8728(5) 0.0920(4) 0.2564(5) 0.0686(16) Uani 1 1 d . . . . .
H7 H 0.929791 0.064960 0.272058 0.082 Uiso 1 1 calc R U . . .
C15 C 0.3457(5) 0.1190(4) -0.2678(4) 0.0741(17) Uani 1 1 d . . . . .
H15 H 0.296050 0.107912 -0.334114 0.089 Uiso 1 1 calc R U . . .
C29 C 0.7933(5) 0.5529(3) 0.2051(5) 0.0703(16) Uani 1 1 d . . . . .
H29A H 0.876887 0.569465 0.248215 0.084 Uiso 1 1 calc R U . . .
H29B H 0.787303 0.564446 0.144285 0.084 Uiso 1 1 calc R U . . .
C2 C 0.4928(6) 0.2517(5) 0.3020(5) 0.0807(18) Uani 1 1 d . . . . .
H2 H 0.434424 0.272983 0.307761 0.097 Uiso 1 1 calc R U . . .
C35 C 0.9225(5) 0.4011(4) 0.3289(4) 0.0620(14) Uani 1 1 d . . . . .
H35A H 0.920834 0.467082 0.353055 0.074 Uiso 1 1 calc R U . . .
H35B H 0.851518 0.350136 0.322028 0.074 Uiso 1 1 calc R U . . .
C6 C 0.8247(5) 0.1213(4) 0.3134(5) 0.0712(17) Uani 1 1 d . . . . .
H6 H 0.841320 0.118934 0.376804 0.085 Uiso 1 1 calc R U . . .
C28 C 0.7502(6) 0.6213(4) 0.2609(6) 0.091(2) Uani 1 1 d . . . . .
H28A H 0.762643 0.613654 0.324419 0.109 Uiso 1 1 calc R U . . .
H28B H 0.797416 0.691843 0.276710 0.109 Uiso 1 1 calc R U . . .
C33 C 1.1456(6) 0.4791(6) 0.4172(6) 0.106(3) Uani 1 1 d . . . . .
H33A H 1.216138 0.474786 0.463098 0.128 Uiso 1 1 calc R U . . .
H33B H 1.149808 0.546655 0.446291 0.128 Uiso 1 1 calc R U . . .
C34 C 1.0333(5) 0.3999(5) 0.4052(5) 0.089(2) Uani 1 1 d . . . . .
H34A H 1.033302 0.333015 0.382838 0.106 Uiso 1 1 calc R U . . .
H34B H 1.032763 0.414181 0.470162 0.106 Uiso 1 1 calc R U . . .
C3 C 0.5633(7) 0.2311(5) 0.3770(5) 0.092(2) Uani 1 1 d . . . . .
H3 H 0.553592 0.238567 0.435046 0.110 Uiso 1 1 calc R U . . .
C27 C 0.6177(6) 0.5952(5) 0.1977(7) 0.099(2) Uani 1 1 d . . . . .
H27A H 0.592285 0.638069 0.236033 0.119 Uiso 1 1 calc R U . . .
H27B H 0.605761 0.607922 0.136518 0.119 Uiso 1 1 calc R U . . .
C32 C 1.1443(5) 0.4621(6) 0.3141(6) 0.097(2) Uani 1 1 d . . . . .
H32A H 1.148006 0.397313 0.288292 0.116 Uiso 1 1 calc R U . . .
H32B H 1.214658 0.515245 0.322661 0.116 Uiso 1 1 calc R U . . .
P2 P 0.000000 0.000000 0.500000 0.0643(5) Uani 1 2 d S . P . .
F1 F 0.1146(3) -0.0232(4) 0.5145(3) 0.1109(14) Uani 1 1 d . U . . .
F2 F 0.0129(14) -0.0004(12) 0.6042(10) 0.104(4) Uani 0.5 1 d . U P . .
F3 F 0.0470(14) 0.1045(12) 0.4923(15) 0.151(6) Uani 0.5 1 d . U P . .
P3 P 0.500000 0.000000 0.500000 0.0929(8) Uani 1 2 d S . P . .
F5 F 0.4305(6) 0.0230(6) 0.4097(4) 0.180(3) Uani 1 1 d . U . . .
F4 F 0.5540(6) 0.1100(5) 0.5761(5) 0.191(3) Uani 1 1 d . U . . .
F6 F 0.3905(4) -0.0269(5) 0.5232(4) 0.158(2) Uani 1 1 d . U . . .
C37 C 0.1142(10) 0.8494(9) 0.3155(7) 0.154(4) Uani 1 1 d . . . . .
H37A H 0.035523 0.830340 0.262295 0.231 Uiso 1 1 calc R U . . .
H37B H 0.168244 0.847424 0.287075 0.231 Uiso 1 1 calc R U . . .
H37C H 0.142363 0.917123 0.363660 0.231 Uiso 1 1 calc R U . . .
N7 N 0.1034(9) 0.7256(7) 0.4058(8) 0.169(4) Uani 1 1 d . . . . .
C36 C 0.1089(8) 0.7798(8) 0.3655(8) 0.124(4) Uani 1 1 d . . . . .
O2 O 0.3457(12) 0.2761(11) 0.4423(9) 0.116(4) Uani 0.5 1 d . U P . .
C39 C 0.2513(18) 0.1973(16) 0.4153(18) 0.143(7) Uani 0.5 1 d D U P . .
H39A H 0.193118 0.219683 0.427424 0.172 Uiso 0.5 1 calc R U P . .
H39B H 0.272413 0.160360 0.457866 0.172 Uiso 0.5 1 calc R U P . .
F0AA F 0.750(2) 0.728(2) 0.8783(18) 0.255(10) Uani 0.5 1 d . U P . .
F1AA F 0.8677(18) 0.7210(14) 0.8999(11) 0.160(6) Uani 0.5 1 d . U P . .
F2AA F 0.7704(11) 0.8442(10) 0.9751(13) 0.155(4) Uani 0.5 1 d . U P . .
F3AA F 0.0574(12) 0.0550(13) 0.6206(10) 0.110(5) Uani 0.5 1 d . U P . .
F4AA F 0.0900(11) 0.1145(8) 0.5546(13) 0.133(5) Uani 0.5 1 d . U P . .
F5AA F 0.956(3) 0.867(2) 1.079(2) 0.285(11) Uani 0.5 1 d . U P . .


_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
C38 C39 1.407(16) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C41 C40 1.515(18) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C40 O2 1.08(3) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
Rh1 C8 1.902(4) . ?
Rh1 C10 1.907(4) . ?
Rh1 O1 2.030(2) . ?
Rh1 N6 2.202(3) . ?
Rh1 N1 2.218(3) . ?
Rh1 P1 2.4107(11) . ?
P1 C24 1.860(5) . ?
P1 C18 1.864(4) . ?
P1 C30 1.872(5) . ?
P4 F7 1.393(19) . ?
P4 F5AA 1.41(2) . ?
P4 F9 1.463(7) . ?
P4 F8 1.538(11) . ?
P4 F2AA 1.546(10) . ?
P4 F12 1.567(7) . ?
P4 F0AA 1.57(2) . ?
P4 F1AA 1.581(16) . ?
P4 F11 1.583(11) . ?
P4 F10 1.590(9) . ?
F10 F5AA 1.33(3) . ?
F10 F2AA 1.494(16) . ?
F11 F5AA 1.03(3) . ?
F11 F7 1.55(3) . ?
F7 F1AA 0.80(3) . ?
F8 F0AA 1.13(2) . ?
F8 F2AA 1.551(18) . ?
O1 O1 1.458(5) 2_655 ?
N6 C13 1.337(5) . ?
N6 C17 1.342(5) . ?
N5 C10 1.343(5) . ?
N5 C12 1.396(6) . ?
N5 C13 1.406(5) . ?
N4 C10 1.339(5) . ?
N4 C11 1.389(6) . ?
N4 C9 1.443(6) . ?
N3 C8 1.336(5) . ?
N3 C7 1.392(6) . ?
N3 C9 1.455(7) . ?
N2 C8 1.351(6) . ?
N2 C6 1.392(6) . ?
N2 C5 1.416(6) . ?
N1 C1 1.332(6) . ?
N1 C5 1.344(6) . ?
C19 C20 1.519(7) . ?
C19 C18 1.541(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C30 C35 1.525(7) . ?
C30 C31 1.538(6) . ?
C30 H30 0.9800 . ?
C13 C14 1.371(6) . ?
C18 C23 1.518(6) . ?
C18 H18 0.9800 . ?
C5 C4 1.377(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C22 C21 1.506(8) . ?
C22 C23 1.532(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C24 C29 1.531(6) . ?
C24 C25 1.539(6) . ?
C24 H24 0.9800 . ?
C25 C26 1.514(7) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C12 C11 1.329(8) . ?
C12 H12 0.9300 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C14 C15 1.376(8) . ?
C14 H14 0.9300 . ?
C17 C16 1.371(7) . ?
C17 H17 0.9300 . ?
C1 C2 1.371(7) . ?
C1 H1 0.9300 . ?
C11 H11 0.9300 . ?
C16 C15 1.368(8) . ?
C16 H16 0.9300 . ?
C4 C3 1.372(9) . ?
C4 H4 0.9300 . ?
C20 C21 1.505(8) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C31 C32 1.535(8) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C26 C27 1.518(8) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C7 C6 1.312(8) . ?
C7 H7 0.9300 . ?
C15 H15 0.9300 . ?
C29 C28 1.528(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C2 C3 1.356(10) . ?
C2 H2 0.9300 . ?
C35 C34 1.509(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C6 H6 0.9300 . ?
C28 C27 1.524(9) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C33 C34 1.518(9) . ?
C33 C32 1.533(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C3 H3 0.9300 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
P2 F2 1.549(13) 2_556 ?
P2 F2 1.549(13) . ?
P2 F3 1.553(13) . ?
P2 F3 1.553(13) 2_556 ?
P2 F4AA 1.561(11) 2_556 ?
P2 F4AA 1.561(11) . ?
P2 F1 1.586(4) 2_556 ?
P2 F1 1.586(4) . ?
P2 F3AA 1.600(14) 2_556 ?
P2 F3AA 1.600(14) . ?
F2 F3AA 0.776(17) . ?
F2 F3 1.60(2) 2_556 ?
F3 F4AA 0.864(15) . ?
P3 F4 1.531(6) 2_656 ?
P3 F4 1.531(6) . ?
P3 F5 1.539(5) 2_656 ?
P3 F5 1.539(5) . ?
P3 F6 1.569(5) 2_656 ?
P3 F6 1.569(5) . ?
C37 C36 1.436(14) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
N7 C36 1.134(13) . ?
O2 C39 1.283(19) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
F0AA F1AA 1.50(3) . ?
F3AA F4AA 1.59(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C39 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C39 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O2 C40 C41 119(3) . . ?
O2 C40 H40A 107.6 . . ?
C41 C40 H40A 107.6 . . ?
O2 C40 H40B 107.6 . . ?
C41 C40 H40B 107.6 . . ?
H40A C40 H40B 107.0 . . ?
C8 Rh1 C10 86.56(19) . . ?
C8 Rh1 O1 85.79(14) . . ?
C10 Rh1 O1 91.36(13) . . ?
C8 Rh1 N6 160.67(16) . . ?
C10 Rh1 N6 77.02(16) . . ?
O1 Rh1 N6 84.50(11) . . ?
C8 Rh1 N1 77.27(17) . . ?
C10 Rh1 N1 161.40(15) . . ?
O1 Rh1 N1 78.48(11) . . ?
N6 Rh1 N1 116.87(13) . . ?
C8 Rh1 P1 94.77(12) . . ?
C10 Rh1 P1 94.57(11) . . ?
O1 Rh1 P1 174.07(8) . . ?
N6 Rh1 P1 96.62(8) . . ?
N1 Rh1 P1 95.87(9) . . ?
C24 P1 C18 106.5(2) . . ?
C24 P1 C30 105.0(2) . . ?
C18 P1 C30 104.0(2) . . ?
C24 P1 Rh1 110.61(14) . . ?
C18 P1 Rh1 119.11(15) . . ?
C30 P1 Rh1 110.54(14) . . ?
F7 P4 F5AA 102.0(17) . . ?
F7 P4 F9 80.0(14) . . ?
F5AA P4 F9 92.3(12) . . ?
F7 P4 F8 107.6(16) . . ?
F5AA P4 F8 143.7(16) . . ?
F9 P4 F8 73.1(8) . . ?
F7 P4 F2AA 155.1(16) . . ?
F5AA P4 F2AA 98.4(14) . . ?
F9 P4 F2AA 113.4(7) . . ?
F8 P4 F2AA 60.4(7) . . ?
F7 P4 F12 99.6(16) . . ?
F5AA P4 F12 78.4(11) . . ?
F9 P4 F12 170.3(7) . . ?
F8 P4 F12 115.9(8) . . ?
F2AA P4 F12 70.7(5) . . ?
F7 P4 F0AA 83.9(15) . . ?
F5AA P4 F0AA 164.3(15) . . ?
F9 P4 F0AA 103.2(11) . . ?
F8 P4 F0AA 42.7(8) . . ?
F2AA P4 F0AA 72.9(11) . . ?
F12 P4 F0AA 86.4(10) . . ?
F7 P4 F1AA 30.5(14) . . ?
F5AA P4 F1AA 123.8(16) . . ?
F9 P4 F1AA 100.1(9) . . ?
F8 P4 F1AA 91.9(9) . . ?
F2AA P4 F1AA 124.6(10) . . ?
F12 P4 F1AA 83.5(8) . . ?
F0AA P4 F1AA 56.9(10) . . ?
F7 P4 F11 62.6(13) . . ?
F5AA P4 F11 39.7(13) . . ?
F9 P4 F11 89.8(8) . . ?
F8 P4 F11 162.0(9) . . ?
F2AA P4 F11 134.6(7) . . ?
F12 P4 F11 81.5(7) . . ?
F0AA P4 F11 141.5(11) . . ?
F1AA P4 F11 85.4(9) . . ?
F7 P4 F10 148.0(15) . . ?
F5AA P4 F10 52.1(13) . . ?
F9 P4 F10 82.5(6) . . ?
F8 P4 F10 92.4(8) . . ?
F2AA P4 F10 56.9(6) . . ?
F12 P4 F10 93.4(6) . . ?
F0AA P4 F10 126.3(11) . . ?
F1AA P4 F10 175.5(8) . . ?
F11 P4 F10 90.9(7) . . ?
F5AA F10 F2AA 105.0(14) . . ?
F5AA F10 P4 57.0(12) . . ?
F2AA F10 P4 60.1(6) . . ?
F5AA F11 F7 114(2) . . ?
F5AA F11 P4 61.2(16) . . ?
F7 F11 P4 52.7(8) . . ?
F1AA F7 P4 88(2) . . ?
F1AA F7 F11 128(4) . . ?
P4 F7 F11 64.7(12) . . ?
F0AA F8 P4 70.4(14) . . ?
F0AA F8 F2AA 86(2) . . ?
P4 F8 F2AA 60.1(6) . . ?
O1 O1 Rh1 110.6(2) 2_655 . ?
C13 N6 C17 117.4(4) . . ?
C13 N6 Rh1 111.5(3) . . ?
C17 N6 Rh1 130.8(3) . . ?
C10 N5 C12 109.0(4) . . ?
C10 N5 C13 117.2(4) . . ?
C12 N5 C13 133.5(4) . . ?
C10 N4 C11 109.0(4) . . ?
C10 N4 C9 125.3(4) . . ?
C11 N4 C9 125.6(4) . . ?
C8 N3 C7 109.4(4) . . ?
C8 N3 C9 124.6(4) . . ?
C7 N3 C9 125.8(4) . . ?
C8 N2 C6 109.0(5) . . ?
C8 N2 C5 117.3(4) . . ?
C6 N2 C5 133.5(4) . . ?
C1 N1 C5 117.0(4) . . ?
C1 N1 Rh1 131.5(3) . . ?
C5 N1 Rh1 111.1(3) . . ?
N4 C10 N5 107.3(4) . . ?
N4 C10 Rh1 132.0(3) . . ?
N5 C10 Rh1 119.9(3) . . ?
C20 C19 C18 112.2(4) . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C35 C30 C31 108.7(4) . . ?
C35 C30 P1 112.4(3) . . ?
C31 C30 P1 118.7(3) . . ?
C35 C30 H30 105.3 . . ?
C31 C30 H30 105.3 . . ?
P1 C30 H30 105.3 . . ?
N6 C13 C14 123.7(4) . . ?
N6 C13 N5 114.2(4) . . ?
C14 C13 N5 122.1(4) . . ?
C23 C18 C19 110.8(4) . . ?
C23 C18 P1 112.2(3) . . ?
C19 C18 P1 114.4(3) . . ?
C23 C18 H18 106.3 . . ?
C19 C18 H18 106.3 . . ?
P1 C18 H18 106.3 . . ?
N1 C5 C4 123.1(5) . . ?
N1 C5 N2 114.0(4) . . ?
C4 C5 N2 122.9(5) . . ?
N4 C9 N3 112.4(4) . . ?
N4 C9 H9A 109.1 . . ?
N3 C9 H9A 109.1 . . ?
N4 C9 H9B 109.1 . . ?
N3 C9 H9B 109.1 . . ?
H9A C9 H9B 107.9 . . ?
C21 C22 C23 110.8(4) . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C29 C24 C25 110.2(4) . . ?
C29 C24 P1 115.8(3) . . ?
C25 C24 P1 113.8(3) . . ?
C29 C24 H24 105.3 . . ?
C25 C24 H24 105.3 . . ?
P1 C24 H24 105.3 . . ?
C26 C25 C24 110.6(4) . . ?
C26 C25 H25A 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C11 C12 N5 107.0(5) . . ?
C11 C12 H12 126.5 . . ?
N5 C12 H12 126.5 . . ?
C18 C23 C22 112.2(4) . . ?
C18 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C18 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C13 C14 C15 117.4(5) . . ?
C13 C14 H14 121.3 . . ?
C15 C14 H14 121.3 . . ?
N6 C17 C16 122.4(5) . . ?
N6 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
N1 C1 C2 123.5(5) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C12 C11 N4 107.7(4) . . ?
C12 C11 H11 126.1 . . ?
N4 C11 H11 126.1 . . ?
N3 C8 N2 106.5(4) . . ?
N3 C8 Rh1 132.7(4) . . ?
N2 C8 Rh1 120.0(3) . . ?
C15 C16 C17 118.8(5) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C3 C4 C5 117.7(6) . . ?
C3 C4 H4 121.2 . . ?
C5 C4 H4 121.2 . . ?
C21 C20 C19 111.9(5) . . ?
C21 C20 H20A 109.2 . . ?
C19 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C32 C31 C30 108.7(4) . . ?
C32 C31 H31A 109.9 . . ?
C30 C31 H31A 109.9 . . ?
C32 C31 H31B 109.9 . . ?
C30 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
C20 C21 C22 110.9(5) . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.0 . . ?
C25 C26 C27 111.0(5) . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C27 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C6 C7 N3 107.7(4) . . ?
C6 C7 H7 126.2 . . ?
N3 C7 H7 126.2 . . ?
C16 C15 C14 120.1(5) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C28 C29 C24 110.0(5) . . ?
C28 C29 H29A 109.7 . . ?
C24 C29 H29A 109.7 . . ?
C28 C29 H29B 109.7 . . ?
C24 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?
C3 C2 C1 118.3(6) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C34 C35 C30 111.3(5) . . ?
C34 C35 H35A 109.4 . . ?
C30 C35 H35A 109.4 . . ?
C34 C35 H35B 109.4 . . ?
C30 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C7 C6 N2 107.5(5) . . ?
C7 C6 H6 126.3 . . ?
N2 C6 H6 126.3 . . ?
C27 C28 C29 111.6(5) . . ?
C27 C28 H28A 109.3 . . ?
C29 C28 H28A 109.3 . . ?
C27 C28 H28B 109.3 . . ?
C29 C28 H28B 109.3 . . ?
H28A C28 H28B 108.0 . . ?
C34 C33 C32 110.4(6) . . ?
C34 C33 H33A 109.6 . . ?
C32 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C32 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C35 C34 C33 110.3(5) . . ?
C35 C34 H34A 109.6 . . ?
C33 C34 H34A 109.6 . . ?
C35 C34 H34B 109.6 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C2 C3 C4 120.4(6) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C26 C27 C28 109.9(5) . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C33 C32 C31 111.5(6) . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
F2 P2 F2 180.0 2_556 . ?
F2 P2 F3 61.9(7) 2_556 . ?
F2 P2 F3 118.1(7) . . ?
F2 P2 F3 118.1(7) 2_556 2_556 ?
F2 P2 F3 61.9(7) . 2_556 ?
F3 P2 F3 180.0 . 2_556 ?
F2 P2 F4AA 88.9(7) 2_556 2_556 ?
F2 P2 F4AA 91.1(7) . 2_556 ?
F3 P2 F4AA 147.8(6) . 2_556 ?
F3 P2 F4AA 32.2(6) 2_556 2_556 ?
F2 P2 F4AA 91.1(7) 2_556 . ?
F2 P2 F4AA 88.9(7) . . ?
F3 P2 F4AA 32.2(6) . . ?
F3 P2 F4AA 147.8(6) 2_556 . ?
F4AA P2 F4AA 180.0 2_556 . ?
F2 P2 F1 92.7(6) 2_556 2_556 ?
F2 P2 F1 87.3(6) . 2_556 ?
F3 P2 F1 82.6(6) . 2_556 ?
F3 P2 F1 97.4(6) 2_556 2_556 ?
F4AA P2 F1 85.7(5) 2_556 2_556 ?
F4AA P2 F1 94.3(5) . 2_556 ?
F2 P2 F1 87.3(6) 2_556 . ?
F2 P2 F1 92.7(6) . . ?
F3 P2 F1 97.4(6) . . ?
F3 P2 F1 82.6(6) 2_556 . ?
F4AA P2 F1 94.3(5) 2_556 . ?
F4AA P2 F1 85.7(5) . . ?
F1 P2 F1 180.0 2_556 . ?
F2 P2 F3AA 28.5(6) 2_556 2_556 ?
F2 P2 F3AA 151.5(6) . 2_556 ?
F3 P2 F3AA 89.5(8) . 2_556 ?
F3 P2 F3AA 90.5(8) 2_556 2_556 ?
F4AA P2 F3AA 60.4(7) 2_556 2_556 ?
F4AA P2 F3AA 119.6(7) . 2_556 ?
F1 P2 F3AA 89.3(6) 2_556 2_556 ?
F1 P2 F3AA 90.7(6) . 2_556 ?
F2 P2 F3AA 151.5(6) 2_556 . ?
F2 P2 F3AA 28.5(6) . . ?
F3 P2 F3AA 90.5(8) . . ?
F3 P2 F3AA 89.5(8) 2_556 . ?
F4AA P2 F3AA 119.6(7) 2_556 . ?
F4AA P2 F3AA 60.4(7) . . ?
F1 P2 F3AA 90.7(6) 2_556 . ?
F1 P2 F3AA 89.3(6) . . ?
F3AA P2 F3AA 180.0 2_556 . ?
F3AA F2 P2 79.4(19) . . ?
F3AA F2 F3 136(3) . 2_556 ?
P2 F2 F3 59.2(7) . 2_556 ?
F4AA F3 P2 74.4(13) . . ?
F4AA F3 F2 126.3(18) . 2_556 ?
P2 F3 F2 58.9(7) . 2_556 ?
F4 P3 F4 180.0 2_656 . ?
F4 P3 F5 93.6(4) 2_656 2_656 ?
F4 P3 F5 86.4(4) . 2_656 ?
F4 P3 F5 86.4(4) 2_656 . ?
F4 P3 F5 93.6(4) . . ?
F5 P3 F5 180.0 2_656 . ?
F4 P3 F6 90.5(3) 2_656 2_656 ?
F4 P3 F6 89.5(3) . 2_656 ?
F5 P3 F6 91.3(3) 2_656 2_656 ?
F5 P3 F6 88.7(3) . 2_656 ?
F4 P3 F6 89.5(3) 2_656 . ?
F4 P3 F6 90.5(3) . . ?
F5 P3 F6 88.7(3) 2_656 . ?
F5 P3 F6 91.3(3) . . ?
F6 P3 F6 180.0 2_656 . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N7 C36 C37 178.5(13) . . ?
C40 O2 C39 107(2) . . ?
O2 C39 C38 114.6(15) . . ?
O2 C39 H39A 108.6 . . ?
C38 C39 H39A 108.6 . . ?
O2 C39 H39B 108.6 . . ?
C38 C39 H39B 108.6 . . ?
H39A C39 H39B 107.6 . . ?
F8 F0AA F1AA 116(2) . . ?
F8 F0AA P4 66.9(14) . . ?
F1AA F0AA P4 61.8(11) . . ?
F7 F1AA F0AA 116(3) . . ?
F7 F1AA P4 62(2) . . ?
F0AA F1AA P4 61.3(11) . . ?
F10 F2AA P4 63.1(5) . . ?
F10 F2AA F8 95.7(10) . . ?
P4 F2AA F8 59.5(5) . . ?
F2 F3AA F4AA 131(2) . . ?
F2 F3AA P2 72.1(17) . . ?
F4AA F3AA P2 58.6(7) . . ?
F3 F4AA P2 73.4(14) . . ?
F3 F4AA F3AA 129.2(18) . . ?
P2 F4AA F3AA 61.0(6) . . ?
F11 F5AA F10 147(3) . . ?
F11 F5AA P4 79(2) . . ?
F10 F5AA P4 70.9(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
F7 P4 F10 F5AA 42(3) . . . . ?
F9 P4 F10 F5AA 98.8(15) . . . . ?
F8 P4 F10 F5AA 171.4(16) . . . . ?
F2AA P4 F10 F5AA -136.8(16) . . . . ?
F12 P4 F10 F5AA -72.4(14) . . . . ?
F0AA P4 F10 F5AA -160.4(18) . . . . ?
F11 P4 F10 F5AA 9.2(17) . . . . ?
F7 P4 F10 F2AA 178(3) . . . . ?
F5AA P4 F10 F2AA 136.8(16) . . . . ?
F9 P4 F10 F2AA -124.4(8) . . . . ?
F8 P4 F10 F2AA -51.8(9) . . . . ?
F12 P4 F10 F2AA 64.3(7) . . . . ?
F0AA P4 F10 F2AA -23.6(15) . . . . ?
F11 P4 F10 F2AA 145.9(8) . . . . ?
F7 P4 F11 F5AA -173(3) . . . . ?
F9 P4 F11 F5AA -94(2) . . . . ?
F8 P4 F11 F5AA -112(3) . . . . ?
F2AA P4 F11 F5AA 30(3) . . . . ?
F12 P4 F11 F5AA 82(2) . . . . ?
F0AA P4 F11 F5AA 155(2) . . . . ?
F1AA P4 F11 F5AA 166(2) . . . . ?
F10 P4 F11 F5AA -11(2) . . . . ?
F5AA P4 F11 F7 173(3) . . . . ?
F9 P4 F11 F7 78.8(16) . . . . ?
F8 P4 F11 F7 61(4) . . . . ?
F2AA P4 F11 F7 -157.5(19) . . . . ?
F12 P4 F11 F7 -105.5(18) . . . . ?
F0AA P4 F11 F7 -32(3) . . . . ?
F1AA P4 F11 F7 -21(2) . . . . ?
F10 P4 F11 F7 161.3(18) . . . . ?
F5AA P4 F7 F1AA -139(4) . . . . ?
F9 P4 F7 F1AA 131(4) . . . . ?
F8 P4 F7 F1AA 62(4) . . . . ?
F2AA P4 F7 F1AA 5(7) . . . . ?
F12 P4 F7 F1AA -59(4) . . . . ?
F0AA P4 F7 F1AA 26(3) . . . . ?
F11 P4 F7 F1AA -134(4) . . . . ?
F10 P4 F7 F1AA -171.7(16) . . . . ?
F5AA P4 F7 F11 -4.8(19) . . . . ?
F9 P4 F7 F11 -95.0(12) . . . . ?
F8 P4 F7 F11 -163.6(11) . . . . ?
F2AA P4 F7 F11 140(3) . . . . ?
F12 P4 F7 F11 75.2(12) . . . . ?
F0AA P4 F7 F11 160.4(16) . . . . ?
F1AA P4 F7 F11 134(4) . . . . ?
F10 P4 F7 F11 -37(3) . . . . ?
F5AA F11 F7 F1AA 72(5) . . . . ?
P4 F11 F7 F1AA 65(4) . . . . ?
F5AA F11 F7 P4 7(3) . . . . ?
F7 P4 F8 F0AA -59(2) . . . . ?
F5AA P4 F8 F0AA 157(2) . . . . ?
F9 P4 F8 F0AA -133(2) . . . . ?
F2AA P4 F8 F0AA 97(2) . . . . ?
F12 P4 F8 F0AA 51(2) . . . . ?
F1AA P4 F8 F0AA -33(2) . . . . ?
F11 P4 F8 F0AA -114(3) . . . . ?
F10 P4 F8 F0AA 145.9(19) . . . . ?
F7 P4 F8 F2AA -156.1(18) . . . . ?
F5AA P4 F8 F2AA 61(2) . . . . ?
F9 P4 F8 F2AA 130.6(11) . . . . ?
F12 P4 F8 F2AA -45.7(11) . . . . ?
F0AA P4 F8 F2AA -97(2) . . . . ?
F1AA P4 F8 F2AA -129.4(11) . . . . ?
F11 P4 F8 F2AA 150(3) . . . . ?
F10 P4 F8 F2AA 49.2(8) . . . . ?
C11 N4 C10 N5 0.5(4) . . . . ?
C9 N4 C10 N5 175.7(4) . . . . ?
C11 N4 C10 Rh1 170.5(3) . . . . ?
C9 N4 C10 Rh1 -14.3(6) . . . . ?
C12 N5 C10 N4 -0.3(4) . . . . ?
C13 N5 C10 N4 174.1(3) . . . . ?
C12 N5 C10 Rh1 -171.8(3) . . . . ?
C13 N5 C10 Rh1 2.6(5) . . . . ?
C24 P1 C30 C35 43.2(4) . . . . ?
C18 P1 C30 C35 154.9(3) . . . . ?
Rh1 P1 C30 C35 -76.1(3) . . . . ?
C24 P1 C30 C31 -85.3(4) . . . . ?
C18 P1 C30 C31 26.5(5) . . . . ?
Rh1 P1 C30 C31 155.4(4) . . . . ?
C17 N6 C13 C14 5.5(6) . . . . ?
Rh1 N6 C13 C14 -180.0(3) . . . . ?
C17 N6 C13 N5 -175.9(3) . . . . ?
Rh1 N6 C13 N5 -1.4(4) . . . . ?
C10 N5 C13 N6 -0.5(5) . . . . ?
C12 N5 C13 N6 172.1(4) . . . . ?
C10 N5 C13 C14 178.1(4) . . . . ?
C12 N5 C13 C14 -9.3(7) . . . . ?
C20 C19 C18 C23 -51.4(6) . . . . ?
C20 C19 C18 P1 -179.4(4) . . . . ?
C24 P1 C18 C23 175.0(3) . . . . ?
C30 P1 C18 C23 64.3(4) . . . . ?
Rh1 P1 C18 C23 -59.2(4) . . . . ?
C24 P1 C18 C19 -57.8(4) . . . . ?
C30 P1 C18 C19 -168.5(3) . . . . ?
Rh1 P1 C18 C19 68.0(4) . . . . ?
C1 N1 C5 C4 -2.6(6) . . . . ?
Rh1 N1 C5 C4 -175.9(4) . . . . ?
C1 N1 C5 N2 177.5(4) . . . . ?
Rh1 N1 C5 N2 4.1(4) . . . . ?
C8 N2 C5 N1 -0.8(5) . . . . ?
C6 N2 C5 N1 -175.8(5) . . . . ?
C8 N2 C5 C4 179.3(4) . . . . ?
C6 N2 C5 C4 4.2(8) . . . . ?
C10 N4 C9 N3 28.6(6) . . . . ?
C11 N4 C9 N3 -157.0(4) . . . . ?
C8 N3 C9 N4 -28.4(6) . . . . ?
C7 N3 C9 N4 157.0(4) . . . . ?
C18 P1 C24 C29 -46.9(4) . . . . ?
C30 P1 C24 C29 63.0(4) . . . . ?
Rh1 P1 C24 C29 -177.8(3) . . . . ?
C18 P1 C24 C25 82.3(4) . . . . ?
C30 P1 C24 C25 -167.8(3) . . . . ?
Rh1 P1 C24 C25 -48.5(4) . . . . ?
C29 C24 C25 C26 -57.3(6) . . . . ?
P1 C24 C25 C26 170.7(4) . . . . ?
C10 N5 C12 C11 0.0(5) . . . . ?
C13 N5 C12 C11 -173.1(4) . . . . ?
C19 C18 C23 C22 52.6(5) . . . . ?
P1 C18 C23 C22 -178.3(4) . . . . ?
C21 C22 C23 C18 -56.2(6) . . . . ?
N6 C13 C14 C15 -3.2(7) . . . . ?
N5 C13 C14 C15 178.4(4) . . . . ?
C13 N6 C17 C16 -3.7(6) . . . . ?
Rh1 N6 C17 C16 -176.9(3) . . . . ?
C5 N1 C1 C2 2.8(7) . . . . ?
Rh1 N1 C1 C2 174.5(4) . . . . ?
N5 C12 C11 N4 0.3(5) . . . . ?
C10 N4 C11 C12 -0.5(5) . . . . ?
C9 N4 C11 C12 -175.7(4) . . . . ?
C7 N3 C8 N2 -1.5(5) . . . . ?
C9 N3 C8 N2 -176.8(4) . . . . ?
C7 N3 C8 Rh1 -170.7(3) . . . . ?
C9 N3 C8 Rh1 14.0(6) . . . . ?
C6 N2 C8 N3 1.5(5) . . . . ?
C5 N2 C8 N3 -174.7(3) . . . . ?
C6 N2 C8 Rh1 172.4(3) . . . . ?
C5 N2 C8 Rh1 -3.9(5) . . . . ?
N6 C17 C16 C15 -0.3(7) . . . . ?
N1 C5 C4 C3 1.0(8) . . . . ?
N2 C5 C4 C3 -179.1(5) . . . . ?
C18 C19 C20 C21 53.8(7) . . . . ?
C35 C30 C31 C32 59.3(6) . . . . ?
P1 C30 C31 C32 -170.5(5) . . . . ?
C19 C20 C21 C22 -56.7(6) . . . . ?
C23 C22 C21 C20 57.3(6) . . . . ?
C24 C25 C26 C27 58.0(7) . . . . ?
C8 N3 C7 C6 0.9(6) . . . . ?
C9 N3 C7 C6 176.2(5) . . . . ?
C17 C16 C15 C14 2.7(8) . . . . ?
C13 C14 C15 C16 -1.1(8) . . . . ?
C25 C24 C29 C28 56.3(6) . . . . ?
P1 C24 C29 C28 -172.7(4) . . . . ?
N1 C1 C2 C3 -1.5(9) . . . . ?
C31 C30 C35 C34 -61.0(6) . . . . ?
P1 C30 C35 C34 165.5(4) . . . . ?
N3 C7 C6 N2 0.1(6) . . . . ?
C8 N2 C6 C7 -1.0(6) . . . . ?
C5 N2 C6 C7 174.4(5) . . . . ?
C24 C29 C28 C27 -57.0(7) . . . . ?
C30 C35 C34 C33 59.0(7) . . . . ?
C32 C33 C34 C35 -55.6(8) . . . . ?
C1 C2 C3 C4 -0.3(10) . . . . ?
C5 C4 C3 C2 0.5(9) . . . . ?
C25 C26 C27 C28 -57.5(8) . . . . ?
C29 C28 C27 C26 57.2(8) . . . . ?
C34 C33 C32 C31 56.3(8) . . . . ?
C30 C31 C32 C33 -58.1(7) . . . . ?
F3 P2 F2 F3AA -16(2) . . . . ?
F3 P2 F2 F3AA 164(2) 2_556 . . . ?
F4AA P2 F2 F3AA 178(2) 2_556 . . . ?
F4AA P2 F2 F3AA -2(2) . . . . ?
F1 P2 F2 F3AA -96(2) 2_556 . . . ?
F1 P2 F2 F3AA 84(2) . . . . ?
F3AA P2 F2 F3AA 180.005(4) 2_556 . . . ?
F3 P2 F2 F3 180.000(2) . . . 2_556 ?
F4AA P2 F2 F3 14.3(10) 2_556 . . 2_556 ?
F4AA P2 F2 F3 -165.7(10) . . . 2_556 ?
F1 P2 F2 F3 99.9(7) 2_556 . . 2_556 ?
F1 P2 F2 F3 -80.1(7) . . . 2_556 ?
F3AA P2 F2 F3 16(2) 2_556 . . 2_556 ?
F3AA P2 F2 F3 -164(2) . . . 2_556 ?
F2 P2 F3 F4AA -152(2) 2_556 . . . ?
F2 P2 F3 F4AA 28(2) . . . . ?
F4AA P2 F3 F4AA 180.003(5) 2_556 . . . ?
F1 P2 F3 F4AA 110.5(19) 2_556 . . . ?
F1 P2 F3 F4AA -69.5(19) . . . . ?
F3AA P2 F3 F4AA -160.1(19) 2_556 . . . ?
F3AA P2 F3 F4AA 19.9(19) . . . . ?
F2 P2 F3 F2 180.001(3) . . . 2_556 ?
F4AA P2 F3 F2 -28(2) 2_556 . . 2_556 ?
F4AA P2 F3 F2 152(2) . . . 2_556 ?
F1 P2 F3 F2 -97.1(7) 2_556 . . 2_556 ?
F1 P2 F3 F2 82.9(7) . . . 2_556 ?
F3AA P2 F3 F2 -7.7(11) 2_556 . . 2_556 ?
F3AA P2 F3 F2 172.3(11) . . . 2_556 ?
C41 C40 O2 C39 -174(2) . . . . ?
C40 O2 C39 C38 -172(2) . . . . ?
P4 F8 F0AA F1AA 39.1(19) . . . . ?
F2AA F8 F0AA F1AA 99(2) . . . . ?
F2AA F8 F0AA P4 59.7(7) . . . . ?
F7 P4 F0AA F8 124(2) . . . . ?
F5AA P4 F0AA F8 -122(6) . . . . ?
F9 P4 F0AA F8 46.2(19) . . . . ?
F2AA P4 F0AA F8 -64.6(16) . . . . ?
F12 P4 F0AA F8 -135.6(18) . . . . ?
F1AA P4 F0AA F8 140(2) . . . . ?
F11 P4 F0AA F8 152.9(14) . . . . ?
F10 P4 F0AA F8 -44(2) . . . . ?
F7 P4 F0AA F1AA -15(2) . . . . ?
F5AA P4 F0AA F1AA 98(6) . . . . ?
F9 P4 F0AA F1AA -93.6(12) . . . . ?
F8 P4 F0AA F1AA -140(2) . . . . ?
F2AA P4 F0AA F1AA 155.6(14) . . . . ?
F12 P4 F0AA F1AA 84.6(11) . . . . ?
F11 P4 F0AA F1AA 13(2) . . . . ?
F10 P4 F0AA F1AA 176.1(10) . . . . ?
P4 F7 F1AA F0AA -30(4) . . . . ?
F11 F7 F1AA F0AA -85(5) . . . . ?
F11 F7 F1AA P4 -55(3) . . . . ?
F8 F0AA F1AA F7 -11(5) . . . . ?
P4 F0AA F1AA F7 31(4) . . . . ?
F8 F0AA F1AA P4 -41(2) . . . . ?
F5AA P4 F1AA F7 50(4) . . . . ?
F9 P4 F1AA F7 -49(4) . . . . ?
F8 P4 F1AA F7 -123(4) . . . . ?
F2AA P4 F1AA F7 -177(3) . . . . ?
F12 P4 F1AA F7 121(4) . . . . ?
F0AA P4 F1AA F7 -149(4) . . . . ?
F11 P4 F1AA F7 39(4) . . . . ?
F7 P4 F1AA F0AA 149(4) . . . . ?
F5AA P4 F1AA F0AA -161.2(17) . . . . ?
F9 P4 F1AA F0AA 99.2(13) . . . . ?
F8 P4 F1AA F0AA 26.0(15) . . . . ?
F2AA P4 F1AA F0AA -28.7(16) . . . . ?
F12 P4 F1AA F0AA -89.9(13) . . . . ?
F11 P4 F1AA F0AA -171.9(14) . . . . ?
F5AA F10 F2AA P4 36.5(13) . . . . ?
F5AA F10 F2AA F8 88.0(16) . . . . ?
P4 F10 F2AA F8 51.5(7) . . . . ?
F7 P4 F2AA F10 -178(4) . . . . ?
F5AA P4 F2AA F10 -33.1(13) . . . . ?
F9 P4 F2AA F10 63.0(8) . . . . ?
F8 P4 F2AA F10 115.4(11) . . . . ?
F12 P4 F2AA F10 -107.6(8) . . . . ?
F0AA P4 F2AA F10 160.3(12) . . . . ?
F1AA P4 F2AA F10 -174.8(10) . . . . ?
F11 P4 F2AA F10 -51.9(12) . . . . ?
F7 P4 F2AA F8 67(4) . . . . ?
F5AA P4 F2AA F8 -148.5(15) . . . . ?
F9 P4 F2AA F8 -52.4(11) . . . . ?
F12 P4 F2AA F8 137.0(12) . . . . ?
F0AA P4 F2AA F8 44.9(10) . . . . ?
F1AA P4 F2AA F8 69.8(12) . . . . ?
F11 P4 F2AA F8 -167.3(12) . . . . ?
F10 P4 F2AA F8 -115.4(11) . . . . ?
F0AA F8 F2AA F10 -123.7(18) . . . . ?
P4 F8 F2AA F10 -54.0(7) . . . . ?
F0AA F8 F2AA P4 -69.7(15) . . . . ?
P2 F2 F3AA F4AA 3(3) . . . . ?
F3 F2 F3AA F4AA 23(5) 2_556 . . . ?
F3 F2 F3AA P2 20(3) 2_556 . . . ?
F2 P2 F3AA F2 179.999(5) 2_556 . . . ?
F3 P2 F3AA F2 166(2) . . . . ?
F3 P2 F3AA F2 -14(2) 2_556 . . . ?
F4AA P2 F3AA F2 -2(2) 2_556 . . . ?
F4AA P2 F3AA F2 178(2) . . . . ?
F1 P2 F3AA F2 83(2) 2_556 . . . ?
F1 P2 F3AA F2 -97(2) . . . . ?
F2 P2 F3AA F4AA 2(2) 2_556 . . . ?
F2 P2 F3AA F4AA -178(2) . . . . ?
F3 P2 F3AA F4AA -12.0(10) . . . . ?
F3 P2 F3AA F4AA 168.0(10) 2_556 . . . ?
F4AA P2 F3AA F4AA 179.999(3) 2_556 . . . ?
F1 P2 F3AA F4AA -94.6(6) 2_556 . . . ?
F1 P2 F3AA F4AA 85.4(6) . . . . ?
F2 F3 F4AA P2 -29(2) 2_556 . . . ?
P2 F3 F4AA F3AA -26(2) . . . . ?
F2 F3 F4AA F3AA -56(4) 2_556 . . . ?
F2 P2 F4AA F3 24(2) 2_556 . . . ?
F2 P2 F4AA F3 -156(2) . . . . ?
F3 P2 F4AA F3 180.000(5) 2_556 . . . ?
F1 P2 F4AA F3 -68.7(19) 2_556 . . . ?
F1 P2 F4AA F3 111.3(19) . . . . ?
F3AA P2 F4AA F3 23(2) 2_556 . . . ?
F3AA P2 F4AA F3 -157(2) . . . . ?
F2 P2 F4AA F3AA -178.9(12) 2_556 . . . ?
F2 P2 F4AA F3AA 1.1(12) . . . . ?
F3 P2 F4AA F3AA 157(2) . . . . ?
F3 P2 F4AA F3AA -23(2) 2_556 . . . ?
F1 P2 F4AA F3AA 88.3(7) 2_556 . . . ?
F1 P2 F4AA F3AA -91.7(7) . . . . ?
F3AA P2 F4AA F3AA 179.997(3) 2_556 . . . ?
F2 F3AA F4AA F3 26(5) . . . . ?
P2 F3AA F4AA F3 29(3) . . . . ?
F2 F3AA F4AA P2 -3(3) . . . . ?
F7 F11 F5AA F10 19(7) . . . . ?
P4 F11 F5AA F10 25(5) . . . . ?
F7 F11 F5AA P4 -6(2) . . . . ?
F2AA F10 F5AA F11 -64(6) . . . . ?
P4 F10 F5AA F11 -27(5) . . . . ?
F2AA F10 F5AA P4 -37.9(12) . . . . ?
F7 P4 F5AA F11 7(3) . . . . ?
F9 P4 F5AA F11 86.9(19) . . . . ?
F8 P4 F5AA F11 151.0(18) . . . . ?
F2AA P4 F5AA F11 -159.0(18) . . . . ?
F12 P4 F5AA F11 -90.7(19) . . . . ?
F0AA P4 F5AA F11 -104(6) . . . . ?
F1AA P4 F5AA F11 -17(3) . . . . ?
F10 P4 F5AA F11 166(3) . . . . ?
F7 P4 F5AA F10 -158.9(18) . . . . ?
F9 P4 F5AA F10 -78.6(12) . . . . ?
F8 P4 F5AA F10 -15(3) . . . . ?
F2AA P4 F5AA F10 35.5(12) . . . . ?
F12 P4 F5AA F10 103.7(11) . . . . ?
F0AA P4 F5AA F10 90(6) . . . . ?
F1AA P4 F5AA F10 177.6(11) . . . . ?
F11 P4 F5AA F10 -166(3) . . . . ?

_refine_diff_density_max         0.590
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.085

