# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_l0008a
_database_code_depnum_ccdc_archive 'CCDC 1877078'
loop_
_audit_author_name
_audit_author_address
'Martin Lutz'
;Utrecht University
Netherlands
;
_audit_update_record             
;
2018-11-05 deposited with the CCDC.	2019-06-17 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         
'C120 H100 N8 O6 P4 Rh2, 2(C2 H3 O2), 5.4(C H2 Cl2)'
_chemical_formula_sum            'C129.40 H116.80 Cl10.80 N8 O10 P4 Rh2'
_chemical_formula_weight         2656.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   12.8064(2)
_cell_length_b                   15.7601(3)
_cell_length_c                   17.3674(2)
_cell_angle_alpha                70.329(1)
_cell_angle_beta                 75.142(1)
_cell_angle_gamma                70.305(1)
_cell_volume                     3066.94(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    32447
_cell_measurement_theta_min      1.63
_cell_measurement_theta_max      27.51

loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' 0.0096852 -0.0503921 -0.0262741 0.0254762 -0.0488687 0.0509421
-0.0795780 -0.0012885 0.0236689
'Nonius RMAT' 0.0051785 -0.0499495 -0.0253635 0.0243046 -0.0492800 0.0511242
-0.0804269 0.0022686 0.0241586

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_F_000             1363
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    0.619
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.671996
_exptl_absorpt_correction_T_max  0.745557
_exptl_absorpt_process_details   TWINABS-2008/4
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47177
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.625
_diffrn_reflns_theta_max         27.473
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14043
_reflns_number_gt                11254
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, Twinabs'
_computing_structure_solution    'SIR-97 (Altomare et al., 1997)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0740P)²+4.4051P] 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         14043
_refine_ls_number_parameters     762
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1457
_refine_ls_wR_factor_gt          0.1329
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.050
_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
Rh1 Rh 0.27696(2) 0.14351(2) 0.72378(2) 0.02336(8) Uani 1 1 d . . . . .
P1 P 0.21683(7) 0.22362(6) 0.59913(5) 0.02474(17) Uani 1 1 d . . . . .
P2 P 0.64848(7) 0.91841(5) 0.15093(5) 0.02181(16) Uani 1 1 d . . . . .
O1 O 0.41674(19) 0.19639(16) 0.66542(13) 0.0292(5) Uani 1 1 d . . . . .
O2 O 0.77542(19) 0.74578(15) 0.15495(15) 0.0321(5) Uani 1 1 d . . . . .
O3 O 0.0975(2) 0.0478(2) 0.78949(17) 0.0474(7) Uani 1 1 d . . . . .
N1 N 0.5286(2) 0.26777(18) 0.55706(16) 0.0263(5) Uani 1 1 d . . . . .
H1N H 0.534956 0.321173 0.520836 0.032 Uiso 1 1 calc R U . . .
N2 N 0.6964(2) 0.22991(18) 0.40644(16) 0.0261(5) Uani 1 1 d . . . . .
H2N H 0.649990 0.285770 0.390111 0.031 Uiso 1 1 calc R U . . .
N3 N 0.7302(2) 0.60872(17) 0.22098(17) 0.0269(6) Uani 1 1 d . . . . .
H3N H 0.674973 0.581974 0.239623 0.032 Uiso 1 1 calc R U . . .
N4 N 0.7975(2) 0.40189(17) 0.24559(16) 0.0252(5) Uani 1 1 d . . . . .
H4N H 0.726239 0.423401 0.239814 0.030 Uiso 1 1 calc R U . . .
C1 C 0.8092(3) 0.2330(2) 0.2647(2) 0.0281(7) Uani 1 1 d . . . . .
H1 H 0.867852 0.185895 0.238519 0.034 Uiso 1 1 calc R U . . .
C2 C 0.7078(3) 0.2673(2) 0.2198(2) 0.0319(7) Uani 1 1 d . . . . .
H2A H 0.642221 0.303082 0.251514 0.038 Uiso 1 1 calc R U . . .
H2B H 0.724826 0.309953 0.164420 0.038 Uiso 1 1 calc R U . . .
C3 C 0.6787(4) 0.1855(3) 0.2099(3) 0.0443(9) Uani 1 1 d . . . . .
H3A H 0.739885 0.154646 0.172845 0.066 Uiso 1 1 calc R U . . .
H3B H 0.609107 0.209042 0.186349 0.066 Uiso 1 1 calc R U . . .
H3C H 0.668286 0.140368 0.264194 0.066 Uiso 1 1 calc R U . . .
C4 C 0.9293(3) 0.0221(2) 0.3723(3) 0.0401(8) Uani 1 1 d . . . . .
H4A H 0.953458 0.044870 0.312527 0.060 Uiso 1 1 calc R U . . .
H4B H 0.902512 -0.032938 0.383637 0.060 Uiso 1 1 calc R U . . .
H4C H 0.992796 0.004995 0.401353 0.060 Uiso 1 1 calc R U . . .
C5 C 0.8368(3) 0.0973(2) 0.4016(2) 0.0317(7) Uani 1 1 d . . . . .
C6 C 0.7821(3) 0.1836(2) 0.3553(2) 0.0267(6) Uani 1 1 d . . . . .
C7 C 0.6957(3) 0.1744(2) 0.4868(2) 0.0269(6) Uani 1 1 d . . . . .
C8 C 0.7843(3) 0.0913(2) 0.4866(2) 0.0314(7) Uani 1 1 d . . . . .
C9 C 0.8068(3) 0.0243(2) 0.5615(2) 0.0379(8) Uani 1 1 d . . . . .
H9 H 0.865159 -0.032333 0.562202 0.045 Uiso 1 1 calc R U . . .
C10 C 0.7423(3) 0.0419(3) 0.6347(2) 0.0395(8) Uani 1 1 d . . . . .
H10 H 0.759814 -0.001490 0.686069 0.047 Uiso 1 1 calc R U . . .
C11 C 0.6523(3) 0.1221(3) 0.6343(2) 0.0332(7) Uani 1 1 d . . . . .
H11 H 0.608651 0.131827 0.685427 0.040 Uiso 1 1 calc R U . . .
C12 C 0.6251(3) 0.1882(2) 0.5604(2) 0.0271(6) Uani 1 1 d . . . . .
C13 C 0.4293(3) 0.2660(2) 0.60557(18) 0.0243(6) Uani 1 1 d . . . . .
C14 C 0.3328(3) 0.3515(2) 0.58538(18) 0.0250(6) Uani 1 1 d . . . . .
C15 C 0.3443(3) 0.4398(2) 0.5742(2) 0.0305(7) Uani 1 1 d . . . . .
H15 H 0.414276 0.446309 0.576854 0.037 Uiso 1 1 calc R U . . .
C16 C 0.2534(3) 0.5182(2) 0.5591(2) 0.0372(8) Uani 1 1 d . . . . .
H16 H 0.259968 0.578226 0.553985 0.045 Uiso 1 1 calc R U . . .
C17 C 0.1532(3) 0.5090(2) 0.5516(2) 0.0390(8) Uani 1 1 d . . . . .
H17 H 0.091469 0.563135 0.540281 0.047 Uiso 1 1 calc R U . . .
C18 C 0.1417(3) 0.4215(2) 0.5605(2) 0.0349(8) Uani 1 1 d . . . . .
H18 H 0.072997 0.416230 0.553938 0.042 Uiso 1 1 calc R U . . .
C19 C 0.2309(3) 0.3415(2) 0.57903(19) 0.0269(6) Uani 1 1 d . . . . .
C20 C 0.0758(3) 0.2389(2) 0.5850(2) 0.0294(7) Uani 1 1 d . . . . .
C21 C 0.0517(3) 0.2349(2) 0.5125(2) 0.0355(8) Uani 1 1 d . . . . .
H21 H 0.110085 0.228793 0.466505 0.043 Uiso 1 1 calc R U . . .
C22 C -0.0546(3) 0.2397(3) 0.5069(3) 0.0427(9) Uani 1 1 d . . . . .
H22 H -0.069821 0.235293 0.457825 0.051 Uiso 1 1 calc R U . . .
C23 C -0.1401(3) 0.2510(3) 0.5732(3) 0.0473(10) Uani 1 1 d . . . . .
H23 H -0.213994 0.253857 0.569460 0.057 Uiso 1 1 calc R U . . .
C24 C -0.1197(3) 0.2581(3) 0.6447(3) 0.0509(10) Uani 1 1 d . . . . .
H24 H -0.179516 0.267936 0.689064 0.061 Uiso 1 1 calc R U . . .
C25 C -0.0117(3) 0.2510(3) 0.6513(2) 0.0413(9) Uani 1 1 d . . . . .
H25 H 0.003261 0.254185 0.700936 0.050 Uiso 1 1 calc R U . . .
C26 C 0.3095(3) 0.1813(2) 0.5135(2) 0.0271(6) Uani 1 1 d . . . . .
C27 C 0.3654(3) 0.2368(3) 0.4469(2) 0.0374(8) Uani 1 1 d . . . . .
H27 H 0.351804 0.301171 0.442626 0.045 Uiso 1 1 calc R U . . .
C28 C 0.4414(4) 0.1977(3) 0.3864(2) 0.0444(9) Uani 1 1 d . . . . .
H28 H 0.481274 0.235148 0.341716 0.053 Uiso 1 1 calc R U . . .
C29 C 0.4592(4) 0.1050(3) 0.3911(2) 0.0446(9) Uani 1 1 d . . . . .
H29 H 0.512656 0.078388 0.350408 0.053 Uiso 1 1 calc R U . . .
C30 C 0.3998(3) 0.0509(3) 0.4546(3) 0.0423(9) Uani 1 1 d . . . . .
H30 H 0.408592 -0.011757 0.455556 0.051 Uiso 1 1 calc R U . . .
C31 C 0.3270(3) 0.0879(3) 0.5172(2) 0.0370(8) Uani 1 1 d . . . . .
H31 H 0.289139 0.049447 0.562492 0.044 Uiso 1 1 calc R U . . .
C32 C 1.0664(3) 0.2158(3) 0.2722(3) 0.0430(9) Uani 1 1 d . . . . .
H32A H 1.048112 0.165560 0.261568 0.065 Uiso 1 1 calc R U . . .
H32B H 1.082410 0.195768 0.328797 0.065 Uiso 1 1 calc R U . . .
H32C H 1.132457 0.229800 0.232772 0.065 Uiso 1 1 calc R U . . .
C33 C 0.9689(3) 0.3017(2) 0.2620(2) 0.0312(7) Uani 1 1 d . . . . .
C34 C 0.8618(3) 0.3092(2) 0.25681(19) 0.0271(7) Uani 1 1 d . . . . .
C35 C 0.8647(3) 0.4541(2) 0.2451(2) 0.0277(7) Uani 1 1 d . . . . .
C36 C 0.9731(3) 0.3939(2) 0.2554(2) 0.0328(7) Uani 1 1 d . . . . .
C37 C 1.0586(3) 0.4295(3) 0.2577(3) 0.0442(10) Uani 1 1 d . . . . .
H37 H 1.131965 0.389610 0.264781 0.053 Uiso 1 1 calc R U . . .
C38 C 1.0330(3) 0.5243(3) 0.2494(3) 0.0452(10) Uani 1 1 d . . . . .
H38 H 1.089797 0.549186 0.251694 0.054 Uiso 1 1 calc R U . . .
C39 C 0.9259(3) 0.5847(2) 0.2377(2) 0.0361(8) Uani 1 1 d . . . . .
H39 H 0.911680 0.649474 0.232308 0.043 Uiso 1 1 calc R U . . .
C40 C 0.8403(3) 0.5516(2) 0.2338(2) 0.0276(7) Uani 1 1 d . . . . .
C41 C 0.7047(3) 0.7016(2) 0.18191(19) 0.0245(6) Uani 1 1 d . . . . .
C42 C 0.5848(3) 0.7532(2) 0.17194(18) 0.0241(6) Uani 1 1 d . . . . .
C43 C 0.5057(3) 0.7068(2) 0.1787(2) 0.0291(7) Uani 1 1 d . . . . .
H43 H 0.527259 0.640312 0.191339 0.035 Uiso 1 1 calc R U . . .
C44 C 0.3958(3) 0.7568(2) 0.1670(2) 0.0322(7) Uani 1 1 d . . . . .
H44 H 0.342589 0.724462 0.172256 0.039 Uiso 1 1 calc R U . . .
C45 C 0.3642(3) 0.8530(2) 0.1480(2) 0.0302(7) Uani 1 1 d . . . . .
H45 H 0.289063 0.887206 0.140166 0.036 Uiso 1 1 calc R U . . .
C46 C 0.4425(3) 0.9002(2) 0.14013(19) 0.0274(7) Uani 1 1 d . . . . .
H46 H 0.419974 0.966731 0.126363 0.033 Uiso 1 1 calc R U . . .
C47 C 0.5529(3) 0.8522(2) 0.15198(18) 0.0236(6) Uani 1 1 d . . . . .
C48 C 0.5538(3) 1.0371(2) 0.14091(19) 0.0253(6) Uani 1 1 d . . . . .
C49 C 0.5526(3) 1.1084(2) 0.0673(2) 0.0332(7) Uani 1 1 d . . . . .
H49 H 0.605840 1.097390 0.019841 0.040 Uiso 1 1 calc R U . . .
C50 C 0.4746(3) 1.1956(2) 0.0621(2) 0.0392(8) Uani 1 1 d . . . . .
H50 H 0.475201 1.243996 0.011556 0.047 Uiso 1 1 calc R U . . .
C51 C 0.3963(3) 1.2117(2) 0.1306(2) 0.0382(8) Uani 1 1 d . . . . .
H51 H 0.341888 1.270723 0.127062 0.046 Uiso 1 1 calc R U . . .
C52 C 0.3975(3) 1.1416(3) 0.2040(2) 0.0378(8) Uani 1 1 d . . . . .
H52 H 0.343470 1.152547 0.251144 0.045 Uiso 1 1 calc R U . . .
C53 C 0.4764(3) 1.0555(2) 0.2099(2) 0.0321(7) Uani 1 1 d . . . . .
H53 H 0.477785 1.008518 0.261386 0.039 Uiso 1 1 calc R U . . .
C54 C 0.7397(3) 0.9299(2) 0.05020(19) 0.0256(6) Uani 1 1 d . . . . .
C55 C 0.7328(3) 0.8887(2) -0.0072(2) 0.0304(7) Uani 1 1 d . . . . .
H55 H 0.678609 0.854984 0.005317 0.036 Uiso 1 1 calc R U . . .
C56 C 0.8045(3) 0.8966(3) -0.0825(2) 0.0373(8) Uani 1 1 d . . . . .
H56 H 0.799602 0.867748 -0.121042 0.045 Uiso 1 1 calc R U . . .
C57 C 0.8831(3) 0.9460(3) -0.1022(2) 0.0382(8) Uani 1 1 d . . . . .
H57 H 0.932401 0.950800 -0.153714 0.046 Uiso 1 1 calc R U . . .
C58 C 0.8897(3) 0.9885(3) -0.0464(2) 0.0372(8) Uani 1 1 d . . . . .
H58 H 0.942891 1.023244 -0.059946 0.045 Uiso 1 1 calc R U . . .
C59 C 0.8184(3) 0.9805(2) 0.0297(2) 0.0313(7) Uani 1 1 d . . . . .
H59 H 0.823455 1.009624 0.067906 0.038 Uiso 1 1 calc R U . . .
C60 C 0.1670(3) 0.0856(2) 0.7651(2) 0.0314(7) Uani 1 1 d . . . . .
O4 O 0.5348(2) 0.39972(17) 0.40057(15) 0.0374(6) Uani 1 1 d . . . . .
O5 O 0.56835(19) 0.48754(15) 0.27179(14) 0.0305(5) Uani 1 1 d . . . . .
C61 C 0.5051(3) 0.4678(2) 0.3400(2) 0.0279(7) Uani 1 1 d . . . . .
C62 C 0.3871(3) 0.5321(3) 0.3489(3) 0.0492(10) Uani 1 1 d . . . . .
H62A H 0.387543 0.585929 0.364865 0.074 Uiso 1 1 calc R U . . .
H62B H 0.337798 0.497795 0.391628 0.074 Uiso 1 1 calc R U . . .
H62C H 0.359450 0.554052 0.295964 0.074 Uiso 1 1 calc R U . . .
Cl1 Cl 0.38300(17) 0.57550(11) 0.08012(11) 0.0826(5) Uani 0.9 1 d D U P . .
Cl2 Cl 0.36673(14) 0.40541(12) 0.21333(12) 0.0810(5) Uani 0.9 1 d D U P . .
C63 C 0.4527(4) 0.4636(3) 0.1330(3) 0.0551(12) Uani 0.9 1 d D . P . .
H63A H 0.513178 0.468175 0.155950 0.066 Uiso 0.9 1 calc R U P . .
H63B H 0.488582 0.425686 0.093024 0.066 Uiso 0.9 1 calc R U P . .
Cl3 Cl 0.68540(13) 0.55729(11) 0.04297(10) 0.0729(4) Uani 0.9 1 d D U P A .
Cl4A Cl 0.8787(3) 0.6268(2) -0.0235(2) 0.0884(9) Uani 0.54 1 d D U P A 1
Cl4B Cl 0.8877(4) 0.5590(5) -0.0714(2) 0.126(2) Uani 0.36 1 d D U P A 2
C64 C 0.8278(5) 0.5323(5) 0.0254(4) 0.112(3) Uani 0.9 1 d D . P . .
H64A H 0.858700 0.487179 -0.008453 0.135 Uiso 0.54 1 calc R U P A 1
H64B H 0.855260 0.501257 0.079144 0.135 Uiso 0.54 1 calc R U P A 1
H64C H 0.849447 0.565748 0.055258 0.135 Uiso 0.36 1 calc R U P A 2
H64D H 0.858730 0.464316 0.049913 0.135 Uiso 0.36 1 calc R U P A 2
Cl5 Cl 0.90840(17) 0.23587(13) 0.87816(13) 0.0899(5) Uani 0.9 1 d D U P . .
Cl6 Cl 0.8908(2) 0.26871(16) 1.03755(11) 0.1274(10) Uani 0.9 1 d D U P . .
C65 C 0.9675(5) 0.2648(5) 0.9422(3) 0.0743(18) Uani 0.9 1 d D . P . .
H65A H 1.041499 0.218628 0.949894 0.089 Uiso 0.9 1 calc R U P . .
H65B H 0.981185 0.326888 0.913276 0.089 Uiso 0.9 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
Rh1 C60 1.800(3) . ?
Rh1 O1 2.105(2) . ?
Rh1 P1 2.2877(8) . ?
Rh1 P2 2.3678(8) 2_666 ?
P1 C20 1.810(3) . ?
P1 C26 1.815(3) . ?
P1 C19 1.833(3) . ?
P2 C54 1.827(3) . ?
P2 C48 1.833(3) . ?
P2 C47 1.851(3) . ?
O1 C13 1.255(4) . ?
O2 C41 1.229(4) . ?
O3 C60 1.149(4) . ?
N1 C13 1.337(4) . ?
N1 C12 1.431(4) . ?
N1 H1N 0.8800 . ?
N2 C7 1.375(4) . ?
N2 C6 1.386(4) . ?
N2 H2N 0.8800 . ?
N3 C41 1.354(4) . ?
N3 C40 1.421(4) . ?
N3 H3N 0.8800 . ?
N4 C35 1.372(4) . ?
N4 C34 1.389(4) . ?
N4 H4N 0.8800 . ?
C1 C6 1.509(4) . ?
C1 C34 1.517(4) . ?
C1 C2 1.532(5) . ?
C1 H1 1.0000 . ?
C2 C3 1.529(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.489(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.377(4) . ?
C5 C8 1.443(5) . ?
C7 C12 1.400(5) . ?
C7 C8 1.416(5) . ?
C8 C9 1.397(5) . ?
C9 C10 1.386(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.394(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(5) . ?
C11 H11 0.9500 . ?
C13 C14 1.500(4) . ?
C14 C15 1.392(4) . ?
C14 C19 1.401(5) . ?
C15 C16 1.385(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.395(5) . ?
C18 H18 0.9500 . ?
C20 C21 1.397(5) . ?
C20 C25 1.400(5) . ?
C21 C22 1.365(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.380(6) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.390(5) . ?
C26 C31 1.395(5) . ?
C27 C28 1.391(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.377(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.377(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(5) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.495(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.360(5) . ?
C33 C36 1.437(5) . ?
C35 C36 1.409(5) . ?
C35 C40 1.416(4) . ?
C36 C37 1.403(5) . ?
C37 C38 1.381(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.400(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(5) . ?
C39 H39 0.9500 . ?
C41 C42 1.499(4) . ?
C42 C43 1.399(4) . ?
C42 C47 1.415(4) . ?
C43 C44 1.391(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.374(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.394(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(5) . ?
C46 H46 0.9500 . ?
C48 C49 1.388(4) . ?
C48 C53 1.390(5) . ?
C49 C50 1.390(5) . ?
C49 H49 0.9500 . ?
C50 C51 1.379(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.378(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.381(5) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C59 1.394(5) . ?
C54 C55 1.395(5) . ?
C55 C56 1.386(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.383(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.381(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.394(5) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
O4 C61 1.254(4) . ?
O5 C61 1.259(4) . ?
C61 C62 1.512(5) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
Cl1 C63 1.737(4) . ?
Cl2 C63 1.741(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
Cl3 C64 1.699(5) . ?
Cl4A C64 1.698(6) . ?
Cl4B C64 1.634(6) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 H64C 0.9900 . ?
C64 H64D 0.9900 . ?
Cl5 C65 1.739(5) . ?
Cl6 C65 1.704(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?

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
C60 Rh1 O1 171.50(13) . . ?
C60 Rh1 P1 95.22(11) . . ?
O1 Rh1 P1 83.06(6) . . ?
C60 Rh1 P2 93.18(11) . 2_666 ?
O1 Rh1 P2 89.27(6) . 2_666 ?
P1 Rh1 P2 170.50(3) . 2_666 ?
C20 P1 C26 105.69(16) . . ?
C20 P1 C19 106.46(15) . . ?
C26 P1 C19 104.42(15) . . ?
C20 P1 Rh1 121.56(11) . . ?
C26 P1 Rh1 113.14(11) . . ?
C19 P1 Rh1 104.12(11) . . ?
C54 P2 C48 102.61(14) . . ?
C54 P2 C47 106.60(14) . . ?
C48 P2 C47 101.80(14) . . ?
C54 P2 Rh1 121.54(11) . 2_666 ?
C48 P2 Rh1 112.39(11) . 2_666 ?
C47 P2 Rh1 109.92(10) . 2_666 ?
C13 O1 Rh1 132.3(2) . . ?
C13 N1 C12 124.0(3) . . ?
C13 N1 H1N 118.0 . . ?
C12 N1 H1N 118.0 . . ?
C7 N2 C6 109.0(3) . . ?
C7 N2 H2N 125.5 . . ?
C6 N2 H2N 125.5 . . ?
C41 N3 C40 124.3(3) . . ?
C41 N3 H3N 117.9 . . ?
C40 N3 H3N 117.9 . . ?
C35 N4 C34 108.1(3) . . ?
C35 N4 H4N 126.0 . . ?
C34 N4 H4N 126.0 . . ?
C6 C1 C34 109.0(3) . . ?
C6 C1 C2 112.5(3) . . ?
C34 C1 C2 114.1(3) . . ?
C6 C1 H1 106.9 . . ?
C34 C1 H1 106.9 . . ?
C2 C1 H1 106.9 . . ?
C3 C2 C1 111.5(3) . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C8 106.2(3) . . ?
C6 C5 C4 128.4(3) . . ?
C8 C5 C4 125.3(3) . . ?
C5 C6 N2 109.8(3) . . ?
C5 C6 C1 130.0(3) . . ?
N2 C6 C1 119.9(3) . . ?
N2 C7 C12 131.2(3) . . ?
N2 C7 C8 107.7(3) . . ?
C12 C7 C8 121.1(3) . . ?
C9 C8 C7 119.7(3) . . ?
C9 C8 C5 133.1(3) . . ?
C7 C8 C5 107.2(3) . . ?
C10 C9 C8 118.8(3) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C9 C10 C11 121.2(3) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C12 C11 C10 121.2(3) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C7 117.7(3) . . ?
C11 C12 N1 122.8(3) . . ?
C7 C12 N1 119.5(3) . . ?
O1 C13 N1 122.0(3) . . ?
O1 C13 C14 121.2(3) . . ?
N1 C13 C14 116.8(3) . . ?
C15 C14 C19 120.6(3) . . ?
C15 C14 C13 120.1(3) . . ?
C19 C14 C13 119.4(3) . . ?
C16 C15 C14 119.8(3) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C19 120.1(3) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C14 118.8(3) . . ?
C18 C19 P1 121.9(3) . . ?
C14 C19 P1 119.3(2) . . ?
C21 C20 C25 119.0(3) . . ?
C21 C20 P1 122.8(3) . . ?
C25 C20 P1 118.1(3) . . ?
C22 C21 C20 120.8(4) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 119.5(4) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C24 C23 C22 121.0(4) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C25 119.6(4) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C20 120.1(4) . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
C27 C26 C31 119.4(3) . . ?
C27 C26 P1 123.0(3) . . ?
C31 C26 P1 117.5(3) . . ?
C26 C27 C28 119.8(3) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 120.3(4) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 120.2(4) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 120.0(4) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C26 120.0(3) . . ?
C30 C31 H31 120.0 . . ?
C26 C31 H31 120.0 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C36 107.0(3) . . ?
C34 C33 C32 128.1(3) . . ?
C36 C33 C32 124.9(3) . . ?
C33 C34 N4 110.0(3) . . ?
C33 C34 C1 129.3(3) . . ?
N4 C34 C1 120.6(3) . . ?
N4 C35 C36 108.4(3) . . ?
N4 C35 C40 130.3(3) . . ?
C36 C35 C40 121.3(3) . . ?
C37 C36 C35 120.2(3) . . ?
C37 C36 C33 133.3(3) . . ?
C35 C36 C33 106.5(3) . . ?
C38 C37 C36 118.1(3) . . ?
C38 C37 H37 121.0 . . ?
C36 C37 H37 121.0 . . ?
C37 C38 C39 122.0(3) . . ?
C37 C38 H38 119.0 . . ?
C39 C38 H38 119.0 . . ?
C40 C39 C38 121.1(3) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C35 117.3(3) . . ?
C39 C40 N3 124.3(3) . . ?
C35 C40 N3 118.4(3) . . ?
O2 C41 N3 122.9(3) . . ?
O2 C41 C42 118.5(3) . . ?
N3 C41 C42 118.6(3) . . ?
C43 C42 C47 119.5(3) . . ?
C43 C42 C41 122.2(3) . . ?
C47 C42 C41 118.3(3) . . ?
C44 C43 C42 120.8(3) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C45 C44 C43 120.0(3) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C47 C46 C45 121.6(3) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C46 C47 C42 118.3(3) . . ?
C46 C47 P2 119.2(2) . . ?
C42 C47 P2 122.2(2) . . ?
C49 C48 C53 118.4(3) . . ?
C49 C48 P2 123.4(3) . . ?
C53 C48 P2 118.1(2) . . ?
C48 C49 C50 120.9(3) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C51 C50 C49 119.8(3) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C52 C51 C50 119.6(3) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C51 C52 C53 120.7(3) . . ?
C51 C52 H52 119.7 . . ?
C53 C52 H52 119.7 . . ?
C52 C53 C48 120.5(3) . . ?
C52 C53 H53 119.8 . . ?
C48 C53 H53 119.8 . . ?
C59 C54 C55 118.8(3) . . ?
C59 C54 P2 119.9(2) . . ?
C55 C54 P2 121.3(2) . . ?
C56 C55 C54 120.3(3) . . ?
C56 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
C57 C56 C55 120.6(3) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C58 C57 C56 119.7(3) . . ?
C58 C57 H57 120.2 . . ?
C56 C57 H57 120.2 . . ?
C57 C58 C59 120.2(3) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C54 120.4(3) . . ?
C58 C59 H59 119.8 . . ?
C54 C59 H59 119.8 . . ?
O3 C60 Rh1 178.0(3) . . ?
O4 C61 O5 124.0(3) . . ?
O4 C61 C62 118.7(3) . . ?
O5 C61 C62 117.2(3) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Cl1 C63 Cl2 114.3(3) . . ?
Cl1 C63 H63A 108.7 . . ?
Cl2 C63 H63A 108.7 . . ?
Cl1 C63 H63B 108.7 . . ?
Cl2 C63 H63B 108.7 . . ?
H63A C63 H63B 107.6 . . ?
Cl4B C64 Cl3 116.5(5) . . ?
Cl3 C64 Cl4A 114.6(4) . . ?
Cl3 C64 H64A 108.6 . . ?
Cl4A C64 H64A 108.6 . . ?
Cl3 C64 H64B 108.6 . . ?
Cl4A C64 H64B 108.6 . . ?
H64A C64 H64B 107.6 . . ?
Cl4B C64 H64C 108.2 . . ?
Cl3 C64 H64C 108.2 . . ?
Cl4B C64 H64D 108.2 . . ?
Cl3 C64 H64D 108.2 . . ?
H64C C64 H64D 107.3 . . ?
Cl6 C65 Cl5 116.2(3) . . ?
Cl6 C65 H65A 108.2 . . ?
Cl5 C65 H65A 108.2 . . ?
Cl6 C65 H65B 108.2 . . ?
Cl5 C65 H65B 108.2 . . ?
H65A C65 H65B 107.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -70.5(4) . . . . ?
C34 C1 C2 C3 164.6(3) . . . . ?
C8 C5 C6 N2 -2.0(4) . . . . ?
C4 C5 C6 N2 176.3(3) . . . . ?
C8 C5 C6 C1 171.9(3) . . . . ?
C4 C5 C6 C1 -9.7(6) . . . . ?
C7 N2 C6 C5 0.8(4) . . . . ?
C7 N2 C6 C1 -173.9(3) . . . . ?
C34 C1 C6 C5 -103.7(4) . . . . ?
C2 C1 C6 C5 128.7(4) . . . . ?
C34 C1 C6 N2 69.8(4) . . . . ?
C2 C1 C6 N2 -57.9(4) . . . . ?
C6 N2 C7 C12 -178.5(3) . . . . ?
C6 N2 C7 C8 0.8(4) . . . . ?
N2 C7 C8 C9 176.4(3) . . . . ?
C12 C7 C8 C9 -4.2(5) . . . . ?
N2 C7 C8 C5 -2.0(4) . . . . ?
C12 C7 C8 C5 177.4(3) . . . . ?
C6 C5 C8 C9 -175.6(4) . . . . ?
C4 C5 C8 C9 5.9(7) . . . . ?
C6 C5 C8 C7 2.5(4) . . . . ?
C4 C5 C8 C7 -175.9(3) . . . . ?
C7 C8 C9 C10 -1.1(5) . . . . ?
C5 C8 C9 C10 176.9(4) . . . . ?
C8 C9 C10 C11 3.7(6) . . . . ?
C9 C10 C11 C12 -1.1(6) . . . . ?
C10 C11 C12 C7 -4.1(5) . . . . ?
C10 C11 C12 N1 175.3(3) . . . . ?
N2 C7 C12 C11 -174.1(3) . . . . ?
C8 C7 C12 C11 6.7(5) . . . . ?
N2 C7 C12 N1 6.6(5) . . . . ?
C8 C7 C12 N1 -172.7(3) . . . . ?
C13 N1 C12 C11 -37.7(5) . . . . ?
C13 N1 C12 C7 141.6(3) . . . . ?
Rh1 O1 C13 N1 -152.2(2) . . . . ?
Rh1 O1 C13 C14 28.0(4) . . . . ?
C12 N1 C13 O1 9.0(5) . . . . ?
C12 N1 C13 C14 -171.2(3) . . . . ?
O1 C13 C14 C15 129.5(3) . . . . ?
N1 C13 C14 C15 -50.3(4) . . . . ?
O1 C13 C14 C19 -49.7(4) . . . . ?
N1 C13 C14 C19 130.5(3) . . . . ?
C19 C14 C15 C16 2.0(5) . . . . ?
C13 C14 C15 C16 -177.2(3) . . . . ?
C14 C15 C16 C17 -2.9(5) . . . . ?
C15 C16 C17 C18 1.2(6) . . . . ?
C16 C17 C18 C19 1.5(6) . . . . ?
C17 C18 C19 C14 -2.3(5) . . . . ?
C17 C18 C19 P1 175.3(3) . . . . ?
C15 C14 C19 C18 0.6(5) . . . . ?
C13 C14 C19 C18 179.8(3) . . . . ?
C15 C14 C19 P1 -177.1(2) . . . . ?
C13 C14 C19 P1 2.1(4) . . . . ?
C20 P1 C19 C18 2.4(3) . . . . ?
C26 P1 C19 C18 114.0(3) . . . . ?
Rh1 P1 C19 C18 -127.1(3) . . . . ?
C20 P1 C19 C14 -180.0(2) . . . . ?
C26 P1 C19 C14 -68.4(3) . . . . ?
Rh1 P1 C19 C14 50.5(3) . . . . ?
C26 P1 C20 C21 -11.0(3) . . . . ?
C19 P1 C20 C21 99.7(3) . . . . ?
Rh1 P1 C20 C21 -141.6(2) . . . . ?
C26 P1 C20 C25 166.0(3) . . . . ?
C19 P1 C20 C25 -83.3(3) . . . . ?
Rh1 P1 C20 C25 35.4(3) . . . . ?
C25 C20 C21 C22 -2.0(5) . . . . ?
P1 C20 C21 C22 174.9(3) . . . . ?
C20 C21 C22 C23 1.6(5) . . . . ?
C21 C22 C23 C24 0.4(6) . . . . ?
C22 C23 C24 C25 -2.1(6) . . . . ?
C23 C24 C25 C20 1.6(6) . . . . ?
C21 C20 C25 C24 0.4(6) . . . . ?
P1 C20 C25 C24 -176.7(3) . . . . ?
C20 P1 C26 C27 106.5(3) . . . . ?
C19 P1 C26 C27 -5.5(3) . . . . ?
Rh1 P1 C26 C27 -118.1(3) . . . . ?
C20 P1 C26 C31 -75.6(3) . . . . ?
C19 P1 C26 C31 172.3(3) . . . . ?
Rh1 P1 C26 C31 59.8(3) . . . . ?
C31 C26 C27 C28 -2.5(6) . . . . ?
P1 C26 C27 C28 175.3(3) . . . . ?
C26 C27 C28 C29 1.8(6) . . . . ?
C27 C28 C29 C30 1.6(7) . . . . ?
C28 C29 C30 C31 -4.2(6) . . . . ?
C29 C30 C31 C26 3.4(6) . . . . ?
C27 C26 C31 C30 0.0(5) . . . . ?
P1 C26 C31 C30 -178.0(3) . . . . ?
C36 C33 C34 N4 1.1(4) . . . . ?
C32 C33 C34 N4 -178.5(3) . . . . ?
C36 C33 C34 C1 -176.4(3) . . . . ?
C32 C33 C34 C1 4.0(6) . . . . ?
C35 N4 C34 C33 -1.1(4) . . . . ?
C35 N4 C34 C1 176.7(3) . . . . ?
C6 C1 C34 C33 78.7(4) . . . . ?
C2 C1 C34 C33 -154.6(3) . . . . ?
C6 C1 C34 N4 -98.6(3) . . . . ?
C2 C1 C34 N4 28.1(4) . . . . ?
C34 N4 C35 C36 0.5(4) . . . . ?
C34 N4 C35 C40 178.4(3) . . . . ?
N4 C35 C36 C37 -179.5(3) . . . . ?
C40 C35 C36 C37 2.4(5) . . . . ?
N4 C35 C36 C33 0.1(4) . . . . ?
C40 C35 C36 C33 -177.9(3) . . . . ?
C34 C33 C36 C37 178.8(4) . . . . ?
C32 C33 C36 C37 -1.5(7) . . . . ?
C34 C33 C36 C35 -0.8(4) . . . . ?
C32 C33 C36 C35 178.9(3) . . . . ?
C35 C36 C37 C38 -0.2(6) . . . . ?
C33 C36 C37 C38 -179.8(4) . . . . ?
C36 C37 C38 C39 -0.9(7) . . . . ?
C37 C38 C39 C40 -0.1(7) . . . . ?
C38 C39 C40 C35 2.2(5) . . . . ?
C38 C39 C40 N3 -179.1(4) . . . . ?
N4 C35 C40 C39 179.1(3) . . . . ?
C36 C35 C40 C39 -3.3(5) . . . . ?
N4 C35 C40 N3 0.3(5) . . . . ?
C36 C35 C40 N3 177.9(3) . . . . ?
C41 N3 C40 C39 25.4(5) . . . . ?
C41 N3 C40 C35 -155.9(3) . . . . ?
C40 N3 C41 O2 -1.3(5) . . . . ?
C40 N3 C41 C42 179.4(3) . . . . ?
O2 C41 C42 C43 161.6(3) . . . . ?
N3 C41 C42 C43 -19.1(4) . . . . ?
O2 C41 C42 C47 -16.0(4) . . . . ?
N3 C41 C42 C47 163.3(3) . . . . ?
C47 C42 C43 C44 -0.8(5) . . . . ?
C41 C42 C43 C44 -178.4(3) . . . . ?
C42 C43 C44 C45 0.6(5) . . . . ?
C43 C44 C45 C46 0.2(5) . . . . ?
C44 C45 C46 C47 -0.7(5) . . . . ?
C45 C46 C47 C42 0.4(5) . . . . ?
C45 C46 C47 P2 -173.9(2) . . . . ?
C43 C42 C47 C46 0.4(4) . . . . ?
C41 C42 C47 C46 178.0(3) . . . . ?
C43 C42 C47 P2 174.5(2) . . . . ?
C41 C42 C47 P2 -7.9(4) . . . . ?
C54 P2 C47 C46 -102.9(3) . . . . ?
C48 P2 C47 C46 4.3(3) . . . . ?
Rh1 P2 C47 C46 123.6(2) 2_666 . . . ?
C54 P2 C47 C42 83.0(3) . . . . ?
C48 P2 C47 C42 -169.8(3) . . . . ?
Rh1 P2 C47 C42 -50.5(3) 2_666 . . . ?
C54 P2 C48 C49 6.8(3) . . . . ?
C47 P2 C48 C49 -103.4(3) . . . . ?
Rh1 P2 C48 C49 139.0(3) 2_666 . . . ?
C54 P2 C48 C53 -175.7(3) . . . . ?
C47 P2 C48 C53 74.0(3) . . . . ?
Rh1 P2 C48 C53 -43.5(3) 2_666 . . . ?
C53 C48 C49 C50 -1.2(5) . . . . ?
P2 C48 C49 C50 176.3(3) . . . . ?
C48 C49 C50 C51 -0.7(6) . . . . ?
C49 C50 C51 C52 1.2(6) . . . . ?
C50 C51 C52 C53 0.2(6) . . . . ?
C51 C52 C53 C48 -2.1(6) . . . . ?
C49 C48 C53 C52 2.6(5) . . . . ?
P2 C48 C53 C52 -175.1(3) . . . . ?
C48 P2 C54 C59 70.8(3) . . . . ?
C47 P2 C54 C59 177.3(3) . . . . ?
Rh1 P2 C54 C59 -55.8(3) 2_666 . . . ?
C48 P2 C54 C55 -109.5(3) . . . . ?
C47 P2 C54 C55 -2.9(3) . . . . ?
Rh1 P2 C54 C55 124.0(3) 2_666 . . . ?
C59 C54 C55 C56 1.2(5) . . . . ?
P2 C54 C55 C56 -178.6(3) . . . . ?
C54 C55 C56 C57 -0.6(6) . . . . ?
C55 C56 C57 C58 -0.5(6) . . . . ?
C56 C57 C58 C59 0.9(6) . . . . ?
C57 C58 C59 C54 -0.2(6) . . . . ?
C55 C54 C59 C58 -0.8(5) . . . . ?
P2 C54 C59 C58 179.0(3) . . . . ?

_refine_diff_density_max         2.336
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.102

####################################################################### 
# 
# 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_l0629a
_database_code_depnum_ccdc_archive 'CCDC 1877079'
loop_
_audit_author_name
_audit_author_address
'Martin Lutz'
;Utrecht University
Netherlands
;
_audit_update_record             
;
2018-11-05 deposited with the CCDC.	2019-06-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C120 H100 N8 O6 P4 Rh2, 2(B F4), 6(C H2 Cl2)'
_chemical_formula_sum            'C126 H112 B2 Cl12 F8 N8 O6 P4 Rh2'
_chemical_formula_weight         2762.95

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   12.7098(3)
_cell_length_b                   15.9386(4)
_cell_length_c                   17.4664(6)
_cell_angle_alpha                70.142(1)
_cell_angle_beta                 74.739(1)
_cell_angle_gamma                69.740(1)
_cell_volume                     3079.21(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    46095
_cell_measurement_theta_min      1.61
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_F_000             1408
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    0.651
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6905
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS-2012/1

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55669
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.615
_diffrn_reflns_theta_max         27.504
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14154
_reflns_number_gt                12375
_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       Apex2
_computing_cell_refinement       Peakref
_computing_data_reduction        'Eval15, SADABS-2012/1'
_computing_structure_solution    SHELXT
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0565P)²+3.8645P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14154
_refine_ls_number_parameters     832
_refine_ls_number_restraints     145
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0373
_refine_ls_wR_factor_ref         0.1073
_refine_ls_wR_factor_gt          0.1026
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.067
_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 0.72814(2) 0.85526(2) 0.27417(2) 0.01728(6) Uani 1 1 d . . . . .
P1 P 0.79112(5) 0.77563(4) 0.39725(3) 0.01898(12) Uani 1 1 d . . . . .
P2 P 0.34931(4) 0.08377(4) 0.84969(3) 0.01577(11) Uani 1 1 d . . . . .
O1 O 0.58543(13) 0.80728(11) 0.33515(9) 0.0223(3) Uani 1 1 d . . . . .
O2 O 0.22090(14) 0.25938(12) 0.84860(12) 0.0307(4) Uani 1 1 d . . . . .
O3 O 0.91475(19) 0.94302(17) 0.20648(12) 0.0475(6) Uani 1 1 d . . . . .
N1 N 0.47122(16) 0.73695(13) 0.44102(12) 0.0186(4) Uani 1 1 d . . . . .
H1N H 0.470(2) 0.694(2) 0.4783(17) 0.019(7) Uiso 1 1 d . . . . .
N2 N 0.30449(16) 0.77121(13) 0.59352(11) 0.0195(4) Uani 1 1 d . . . . .
H2N H 0.346(3) 0.716(2) 0.6076(19) 0.033(8) Uiso 1 1 d . . . . .
N3 N 0.27292(17) 0.39024(13) 0.77425(12) 0.0220(4) Uani 1 1 d . . . . .
H3N H 0.328(3) 0.415(2) 0.7517(18) 0.030(8) Uiso 1 1 d . . . . .
N4 N 0.20393(17) 0.59653(13) 0.75236(12) 0.0199(4) Uani 1 1 d . . . . .
H4N H 0.266(3) 0.580(2) 0.7561(18) 0.026(8) Uiso 1 1 d . . . . .
C1 C 0.1905(2) 0.76406(15) 0.73566(14) 0.0222(4) Uani 1 1 d . . . . .
H1 H 0.1294 0.8094 0.7628 0.027 Uiso 1 1 calc R U . . .
C2 C 0.2918(2) 0.73001(17) 0.78121(15) 0.0281(5) Uani 1 1 d . . . . .
H2A H 0.3590 0.6942 0.7501 0.034 Uiso 1 1 calc R U . . .
H2B H 0.2739 0.6880 0.8364 0.034 Uiso 1 1 calc R U . . .
C3 C 0.3198(3) 0.8115(2) 0.7911(2) 0.0427(7) Uani 1 1 d . . . . .
H3A H 0.3332 0.8550 0.7367 0.064 Uiso 1 1 calc R U . . .
H3B H 0.3881 0.7880 0.8166 0.064 Uiso 1 1 calc R U . . .
H3C H 0.2559 0.8437 0.8261 0.064 Uiso 1 1 calc R U . . .
C4 C 0.0699(2) 0.97668(16) 0.63383(16) 0.0283(5) Uani 1 1 d . . . . .
H4A H 0.0447 0.9520 0.6929 0.042 Uiso 1 1 calc R U . . .
H4B H 0.0057 0.9974 0.6043 0.042 Uiso 1 1 calc R U . . .
H4C H 0.0986 1.0294 0.6252 0.042 Uiso 1 1 calc R U . . .
C5 C 0.16286(19) 0.90197(15) 0.60179(14) 0.0220(4) Uani 1 1 d . . . . .
C6 C 0.21753(19) 0.81580(15) 0.64620(14) 0.0204(4) Uani 1 1 d . . . . .
C7 C 0.30364(18) 0.82807(15) 0.51421(14) 0.0193(4) Uani 1 1 d . . . . .
C8 C 0.21417(19) 0.91035(15) 0.51683(14) 0.0210(4) Uani 1 1 d . . . . .
C9 C 0.1905(2) 0.97889(16) 0.44302(15) 0.0255(5) Uani 1 1 d . . . . .
H9 H 0.1314 1.0350 0.4437 0.031 Uiso 1 1 calc R U . . .
C10 C 0.2545(2) 0.96344(17) 0.36958(15) 0.0275(5) Uani 1 1 d . . . . .
H10 H 0.2361 1.0082 0.3192 0.033 Uiso 1 1 calc R U . . .
C11 C 0.34608(19) 0.88331(16) 0.36717(14) 0.0234(5) Uani 1 1 d . . . . .
H11 H 0.3892 0.8750 0.3155 0.028 Uiso 1 1 calc R U . . .
C12 C 0.37424(18) 0.81596(15) 0.43967(13) 0.0189(4) Uani 1 1 d . . . . .
C13 C 0.57288(18) 0.73734(15) 0.39383(12) 0.0174(4) Uani 1 1 d . . . . .
C14 C 0.66857(18) 0.65219(15) 0.41515(13) 0.0184(4) Uani 1 1 d . . . . .
C15 C 0.6532(2) 0.56468(16) 0.43293(14) 0.0230(4) Uani 1 1 d . . . . .
H15 H 0.5818 0.5593 0.4310 0.028 Uiso 1 1 calc R U . . .
C16 C 0.7425(2) 0.48536(17) 0.45349(16) 0.0292(5) Uani 1 1 d . . . . .
H16 H 0.7329 0.4258 0.4638 0.035 Uiso 1 1 calc R U . . .
C17 C 0.8451(2) 0.49256(17) 0.45905(17) 0.0311(5) Uani 1 1 d . . . . .
H17 H 0.9054 0.4379 0.4740 0.037 Uiso 1 1 calc R U . . .
C18 C 0.8607(2) 0.57933(17) 0.44292(15) 0.0264(5) Uani 1 1 d . . . . .
H18 H 0.9313 0.5835 0.4477 0.032 Uiso 1 1 calc R U . . .
C19 C 0.77412(19) 0.66011(15) 0.41980(13) 0.0197(4) Uani 1 1 d . . . . .
C20 C 0.9360(2) 0.75769(16) 0.40755(15) 0.0248(5) Uani 1 1 d . . . . .
C21 C 0.9625(2) 0.76820(17) 0.47562(18) 0.0324(6) Uani 1 1 d . . . . .
H21 H 0.9041 0.7821 0.5201 0.039 Uiso 1 1 calc R U . . .
C22 C 1.0747(3) 0.75831(19) 0.4785(2) 0.0426(8) Uani 1 1 d . . . . .
H22 H 1.0924 0.7673 0.5241 0.051 Uiso 1 1 calc R U . . .
C23 C 1.1597(3) 0.7356(2) 0.4155(2) 0.0499(9) Uani 1 1 d . . . . .
H23 H 1.2362 0.7284 0.4180 0.060 Uiso 1 1 calc R U . . .
C24 C 1.1351(3) 0.7232(3) 0.3486(2) 0.0542(9) Uani 1 1 d . . . . .
H24 H 1.1945 0.7060 0.3058 0.065 Uiso 1 1 calc R U . . .
C25 C 1.0228(2) 0.7357(2) 0.34388(18) 0.0413(7) Uani 1 1 d . . . . .
H25 H 1.0054 0.7293 0.2969 0.050 Uiso 1 1 calc R U . . .
C26 C 0.7010(2) 0.81705(16) 0.48408(14) 0.0231(4) Uani 1 1 d . . . . .
C27 C 0.6541(3) 0.75865(19) 0.55409(15) 0.0323(6) Uani 1 1 d . . . . .
H27 H 0.6737 0.6940 0.5593 0.039 Uiso 1 1 calc R U . . .
C28 C 0.5785(3) 0.7954(2) 0.61638(17) 0.0428(7) Uani 1 1 d . . . . .
H28 H 0.5445 0.7561 0.6632 0.051 Uiso 1 1 calc R U . . .
C29 C 0.5530(3) 0.8886(2) 0.61024(18) 0.0403(7) Uani 1 1 d . . . . .
H29 H 0.5009 0.9133 0.6527 0.048 Uiso 1 1 calc R U . . .
C30 C 0.6028(2) 0.9465(2) 0.54254(18) 0.0341(6) Uani 1 1 d . . . . .
H30 H 0.5874 1.0102 0.5396 0.041 Uiso 1 1 calc R U . . .
C31 C 0.6753(2) 0.91108(17) 0.47910(16) 0.0284(5) Uani 1 1 d . . . . .
H31 H 0.7076 0.9511 0.4319 0.034 Uiso 1 1 calc R U . . .
C32 C -0.0643(2) 0.78445(18) 0.7164(2) 0.0359(6) Uani 1 1 d . . . . .
H32A H -0.0457 0.8348 0.7254 0.054 Uiso 1 1 calc R U . . .
H32B H -0.1323 0.7727 0.7553 0.054 Uiso 1 1 calc R U . . .
H32C H -0.0787 0.8025 0.6597 0.054 Uiso 1 1 calc R U . . .
C33 C 0.0337(2) 0.69764(16) 0.72964(15) 0.0241(5) Uani 1 1 d . . . . .
C34 C 0.14008(19) 0.68883(15) 0.74044(13) 0.0204(4) Uani 1 1 d . . . . .
C35 C 0.13827(19) 0.54530(15) 0.74921(13) 0.0203(4) Uani 1 1 d . . . . .
C36 C 0.03093(19) 0.60678(16) 0.73435(14) 0.0231(4) Uani 1 1 d . . . . .
C37 C -0.0539(2) 0.57310(17) 0.72782(16) 0.0295(5) Uani 1 1 d . . . . .
H37 H -0.1264 0.6140 0.7169 0.035 Uiso 1 1 calc R U . . .
C38 C -0.0292(2) 0.47903(18) 0.73765(17) 0.0314(5) Uani 1 1 d . . . . .
H38 H -0.0858 0.4552 0.7335 0.038 Uiso 1 1 calc R U . . .
C39 C 0.0774(2) 0.41784(17) 0.75363(16) 0.0274(5) Uani 1 1 d . . . . .
H39 H 0.0915 0.3534 0.7603 0.033 Uiso 1 1 calc R U . . .
C40 C 0.16273(19) 0.44965(15) 0.75983(14) 0.0218(4) Uani 1 1 d . . . . .
C41 C 0.29547(19) 0.29924(15) 0.81740(13) 0.0199(4) Uani 1 1 d . . . . .
C42 C 0.41628(18) 0.24617(15) 0.82633(13) 0.0185(4) Uani 1 1 d . . . . .
C43 C 0.4967(2) 0.29082(16) 0.81868(14) 0.0239(5) Uani 1 1 d . . . . .
H43 H 0.4753 0.3568 0.8054 0.029 Uiso 1 1 calc R U . . .
C44 C 0.6078(2) 0.24059(17) 0.83013(15) 0.0261(5) Uani 1 1 d . . . . .
H44 H 0.6619 0.2721 0.8244 0.031 Uiso 1 1 calc R U . . .
C45 C 0.63908(19) 0.14482(17) 0.84991(14) 0.0237(5) Uani 1 1 d . . . . .
H45 H 0.7149 0.1101 0.8578 0.028 Uiso 1 1 calc R U . . .
C46 C 0.55900(19) 0.09896(15) 0.85832(13) 0.0201(4) Uani 1 1 d . . . . .
H46 H 0.5813 0.0330 0.8721 0.024 Uiso 1 1 calc R U . . .
C47 C 0.44735(18) 0.14778(14) 0.84690(12) 0.0167(4) Uani 1 1 d . . . . .
C48 C 0.44366(18) -0.03495(15) 0.86036(13) 0.0191(4) Uani 1 1 d . . . . .
C49 C 0.4442(2) -0.10505(16) 0.93445(14) 0.0252(5) Uani 1 1 d . . . . .
H49 H 0.3906 -0.0934 0.9818 0.030 Uiso 1 1 calc R U . . .
C50 C 0.5231(2) -0.19222(17) 0.93934(16) 0.0317(5) Uani 1 1 d . . . . .
H50 H 0.5218 -0.2401 0.9897 0.038 Uiso 1 1 calc R U . . .
C51 C 0.6029(2) -0.20943(18) 0.87167(18) 0.0328(6) Uani 1 1 d . . . . .
H51 H 0.6579 -0.2684 0.8759 0.039 Uiso 1 1 calc R U . . .
C52 C 0.6028(2) -0.14039(18) 0.79737(16) 0.0290(5) Uani 1 1 d . . . . .
H52 H 0.6578 -0.1521 0.7506 0.035 Uiso 1 1 calc R U . . .
C53 C 0.5222(2) -0.05402(16) 0.79118(14) 0.0235(4) Uani 1 1 d . . . . .
H53 H 0.5206 -0.0078 0.7397 0.028 Uiso 1 1 calc R U . . .
C54 C 0.25793(18) 0.07397(15) 0.95051(13) 0.0189(4) Uani 1 1 d . . . . .
C55 C 0.2667(2) 0.11409(16) 1.00728(14) 0.0229(4) Uani 1 1 d . . . . .
H55 H 0.3218 0.1468 0.9941 0.027 Uiso 1 1 calc R U . . .
C56 C 0.1950(2) 0.10631(18) 1.08320(15) 0.0296(5) Uani 1 1 d . . . . .
H56 H 0.2012 0.1339 1.1216 0.035 Uiso 1 1 calc R U . . .
C57 C 0.1144(2) 0.05855(19) 1.10305(15) 0.0313(5) Uani 1 1 d . . . . .
H57 H 0.0648 0.0542 1.1546 0.038 Uiso 1 1 calc R U . . .
C58 C 0.1065(2) 0.01714(19) 1.04759(15) 0.0293(5) Uani 1 1 d . . . . .
H58 H 0.0521 -0.0165 1.0616 0.035 Uiso 1 1 calc R U . . .
C59 C 0.1777(2) 0.02455(17) 0.97156(14) 0.0245(5) Uani 1 1 d . . . . .
H59 H 0.1719 -0.0040 0.9337 0.029 Uiso 1 1 calc R U . . .
C60 C 0.8423(2) 0.90794(19) 0.23141(14) 0.0293(5) Uani 1 1 d . . . . .
F1 F 0.45777(15) 0.58842(11) 0.59155(10) 0.0405(4) Uani 1 1 d . . . . .
F2 F 0.44615(13) 0.51067(11) 0.72760(10) 0.0371(4) Uani 1 1 d . . . . .
F3 F 0.56725(15) 0.43977(11) 0.63265(11) 0.0430(4) Uani 1 1 d . . . . .
F4 F 0.60411(19) 0.55610(17) 0.65796(14) 0.0668(6) Uani 1 1 d . . . . .
B1 B 0.5224(2) 0.52250(19) 0.65278(18) 0.0279(6) Uani 1 1 d . . . . .
Cl1 Cl 0.31128(8) 0.44606(7) 0.94648(6) 0.0589(2) Uani 1 1 d D U . . .
Cl2 Cl 0.11375(10) 0.43177(13) 1.07284(7) 0.1078(6) Uani 1 1 d D U . . .
C61 C 0.1708(3) 0.4425(5) 0.9689(2) 0.0875(16) Uani 1 1 d D U . . .
H61A H 0.1672 0.3892 0.9538 0.105 Uiso 1 1 calc R U . . .
H61B H 0.1244 0.5001 0.9351 0.105 Uiso 1 1 calc R U . . .
Cl3A Cl 0.9555(3) 0.30567(19) 1.0442(2) 0.0794(9) Uani 0.462(4) 1 d D U P A 1
Cl4A Cl 0.8672(3) 0.2080(2) 0.9723(3) 0.1151(19) Uani 0.462(4) 1 d D U P A 1
C62A C 0.9523(16) 0.2789(15) 0.9568(7) 0.093(6) Uani 0.462(4) 1 d D U P A 1
H62A H 1.0310 0.2479 0.9344 0.112 Uiso 0.462(4) 1 calc R U P A 1
H62B H 0.9252 0.3377 0.9146 0.112 Uiso 0.462(4) 1 calc R U P A 1
Cl3B Cl 0.8980(3) 0.2849(3) 1.03827(15) 0.0973(12) Uani 0.538(4) 1 d D U P A 2
Cl4B Cl 0.9127(2) 0.23446(18) 0.88853(18) 0.0849(9) Uani 0.538(4) 1 d D U P A 2
C62B C 0.9724(9) 0.2742(9) 0.9429(4) 0.050(2) Uani 0.538(4) 1 d D U P A 2
H62C H 1.0492 0.2313 0.9502 0.060 Uiso 0.538(4) 1 calc R U P A 2
H62D H 0.9821 0.3358 0.9089 0.060 Uiso 0.538(4) 1 calc R U P A 2
Cl5A Cl 0.5152(3) 0.58762(17) 0.8896(2) 0.0937(12) Uani 0.506(5) 1 d D U P B 3
Cl6A Cl 0.6858(3) 0.41346(17) 0.8900(3) 0.0989(14) Uani 0.506(5) 1 d D U P B 3
C63A C 0.6483(8) 0.5301(5) 0.8434(6) 0.106(4) Uani 0.506(5) 1 d D U P B 3
H63A H 0.6467 0.5406 0.7845 0.127 Uiso 0.506(5) 1 calc R U P B 3
H63B H 0.7064 0.5568 0.8462 0.127 Uiso 0.506(5) 1 calc R U P B 3
Cl5B Cl 0.6159(9) 0.5939(4) 0.8341(4) 0.204(4) Uani 0.494(5) 1 d D U P B 4
Cl6B Cl 0.6079(4) 0.4007(3) 0.9394(4) 0.1339(18) Uani 0.494(5) 1 d D U P B 4
C63B C 0.6427(16) 0.4779(6) 0.8449(7) 0.139(6) Uani 0.494(5) 1 d D U P B 4
H63C H 0.7253 0.4538 0.8264 0.167 Uiso 0.494(5) 1 calc R U P B 4
H63D H 0.6036 0.4732 0.8050 0.167 Uiso 0.494(5) 1 calc R U P B 4


_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 C60 1.793(2) . ?
Rh1 O1 2.0974(15) . ?
Rh1 P1 2.2850(6) . ?
Rh1 P2 2.3715(5) 2_666 ?
P1 C20 1.811(2) . ?
P1 C26 1.814(2) . ?
P1 C19 1.825(2) . ?
P2 C54 1.826(2) . ?
P2 C48 1.833(2) . ?
P2 C47 1.847(2) . ?
P2 Rh1 2.3715(5) 2_666 ?
O1 C13 1.257(3) . ?
O2 C41 1.228(3) . ?
O3 C60 1.153(3) . ?
N1 C13 1.338(3) . ?
N1 C12 1.423(3) . ?
N1 H1N 0.76(3) . ?
N2 C7 1.374(3) . ?
N2 C6 1.392(3) . ?
N2 H2N 0.84(3) . ?
N3 C41 1.355(3) . ?
N3 C40 1.424(3) . ?
N3 H3N 0.85(3) . ?
N4 C35 1.376(3) . ?
N4 C34 1.386(3) . ?
N4 H4N 0.75(3) . ?
C1 C6 1.509(3) . ?
C1 C34 1.514(3) . ?
C1 C2 1.532(3) . ?
C1 H1 1.0000 . ?
C2 C3 1.532(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.503(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.367(3) . ?
C5 C8 1.436(3) . ?
C7 C12 1.405(3) . ?
C7 C8 1.413(3) . ?
C8 C9 1.402(3) . ?
C9 C10 1.376(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.403(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(3) . ?
C11 H11 0.9500 . ?
C13 C14 1.487(3) . ?
C14 C15 1.394(3) . ?
C14 C19 1.416(3) . ?
C15 C16 1.389(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(3) . ?
C18 H18 0.9500 . ?
C20 C25 1.388(4) . ?
C20 C21 1.393(4) . ?
C21 C22 1.391(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.373(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.394(3) . ?
C26 C31 1.396(3) . ?
C27 C28 1.394(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.386(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.387(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.503(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.367(3) . ?
C33 C36 1.435(3) . ?
C35 C40 1.402(3) . ?
C35 C36 1.406(3) . ?
C36 C37 1.404(3) . ?
C37 C38 1.380(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.401(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(3) . ?
C39 H39 0.9500 . ?
C41 C42 1.495(3) . ?
C42 C43 1.392(3) . ?
C42 C47 1.417(3) . ?
C43 C44 1.389(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.379(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.398(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.392(3) . ?
C46 H46 0.9500 . ?
C48 C49 1.393(3) . ?
C48 C53 1.398(3) . ?
C49 C50 1.394(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.378(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.387(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.391(3) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.394(3) . ?
C54 C59 1.399(3) . ?
C55 C56 1.391(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.386(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.384(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.390(3) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
F1 B1 1.423(3) . ?
F2 B1 1.406(3) . ?
F3 B1 1.370(3) . ?
F4 B1 1.356(3) . ?
Cl1 C61 1.741(4) . ?
Cl2 C61 1.741(4) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
Cl3A C62A 1.732(7) . ?
Cl4A C62A 1.734(7) . ?
C62A H62A 0.9900 . ?
C62A H62B 0.9900 . ?
Cl3B C62B 1.717(6) . ?
Cl4B C62B 1.733(6) . ?
C62B H62C 0.9900 . ?
C62B H62D 0.9900 . ?
Cl5A C63A 1.750(7) . ?
Cl6A C63A 1.706(6) . ?
C63A H63A 0.9900 . ?
C63A H63B 0.9900 . ?
Cl5B C63B 1.713(7) . ?
Cl6B C63B 1.746(7) . ?
C63B H63C 0.9900 . ?
C63B H63D 0.9900 . ?

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
C60 Rh1 O1 171.50(10) . . ?
C60 Rh1 P1 94.42(8) . . ?
O1 Rh1 P1 83.12(4) . . ?
C60 Rh1 P2 93.92(8) . 2_666 ?
O1 Rh1 P2 89.32(4) . 2_666 ?
P1 Rh1 P2 170.24(2) . 2_666 ?
C20 P1 C26 106.21(11) . . ?
C20 P1 C19 106.22(10) . . ?
C26 P1 C19 103.18(10) . . ?
C20 P1 Rh1 120.96(8) . . ?
C26 P1 Rh1 114.08(8) . . ?
C19 P1 Rh1 104.47(7) . . ?
C54 P2 C48 102.35(10) . . ?
C54 P2 C47 106.62(10) . . ?
C48 P2 C47 101.88(10) . . ?
C54 P2 Rh1 121.36(7) . 2_666 ?
C48 P2 Rh1 112.35(7) . 2_666 ?
C47 P2 Rh1 110.32(7) . 2_666 ?
C13 O1 Rh1 132.24(14) . . ?
C13 N1 C12 125.20(19) . . ?
C13 N1 H1N 116(2) . . ?
C12 N1 H1N 117(2) . . ?
C7 N2 C6 108.88(18) . . ?
C7 N2 H2N 126(2) . . ?
C6 N2 H2N 125(2) . . ?
C41 N3 C40 124.7(2) . . ?
C41 N3 H3N 119(2) . . ?
C40 N3 H3N 116(2) . . ?
C35 N4 C34 109.00(19) . . ?
C35 N4 H4N 128(2) . . ?
C34 N4 H4N 123(2) . . ?
C6 C1 C34 108.75(18) . . ?
C6 C1 C2 112.69(19) . . ?
C34 C1 C2 114.65(19) . . ?
C6 C1 H1 106.8 . . ?
C34 C1 H1 106.8 . . ?
C2 C1 H1 106.8 . . ?
C1 C2 C3 111.3(2) . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C3 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C5 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C8 106.88(19) . . ?
C6 C5 C4 127.8(2) . . ?
C8 C5 C4 125.3(2) . . ?
C5 C6 N2 109.42(19) . . ?
C5 C6 C1 130.5(2) . . ?
N2 C6 C1 119.81(19) . . ?
N2 C7 C12 131.1(2) . . ?
N2 C7 C8 107.60(19) . . ?
C12 C7 C8 121.3(2) . . ?
C9 C8 C7 119.5(2) . . ?
C9 C8 C5 133.4(2) . . ?
C7 C8 C5 107.14(19) . . ?
C10 C9 C8 118.8(2) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C9 C10 C11 121.7(2) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C12 C11 C10 120.6(2) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C7 117.8(2) . . ?
C11 C12 N1 122.8(2) . . ?
C7 C12 N1 119.46(19) . . ?
O1 C13 N1 120.7(2) . . ?
O1 C13 C14 122.53(19) . . ?
N1 C13 C14 116.73(18) . . ?
C15 C14 C19 120.1(2) . . ?
C15 C14 C13 119.97(19) . . ?
C19 C14 C13 119.89(19) . . ?
C16 C15 C14 119.7(2) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.3(2) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C19 120.7(2) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C18 C19 C14 118.7(2) . . ?
C18 C19 P1 122.24(17) . . ?
C14 C19 P1 119.05(17) . . ?
C25 C20 C21 119.2(2) . . ?
C25 C20 P1 118.48(19) . . ?
C21 C20 P1 122.3(2) . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.5(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C25 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 120.4(3) . . ?
C20 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C31 119.3(2) . . ?
C27 C26 P1 122.09(19) . . ?
C31 C26 P1 118.57(18) . . ?
C26 C27 C28 119.8(3) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 120.4(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C31 119.6(3) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C30 C31 C26 120.5(2) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 119.7 . . ?
C33 C32 H32A 109.5 . . ?
C33 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C33 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C36 107.0(2) . . ?
C34 C33 C32 127.8(2) . . ?
C36 C33 C32 125.2(2) . . ?
C33 C34 N4 109.3(2) . . ?
C33 C34 C1 128.8(2) . . ?
N4 C34 C1 121.9(2) . . ?
N4 C35 C40 130.8(2) . . ?
N4 C35 C36 107.62(19) . . ?
C40 C35 C36 121.6(2) . . ?
C37 C36 C35 120.0(2) . . ?
C37 C36 C33 132.9(2) . . ?
C35 C36 C33 107.1(2) . . ?
C38 C37 C36 118.3(2) . . ?
C38 C37 H37 120.9 . . ?
C36 C37 H37 120.9 . . ?
C37 C38 C39 121.6(2) . . ?
C37 C38 H38 119.2 . . ?
C39 C38 H38 119.2 . . ?
C40 C39 C38 121.2(2) . . ?
C40 C39 H39 119.4 . . ?
C38 C39 H39 119.4 . . ?
C39 C40 C35 117.4(2) . . ?
C39 C40 N3 123.0(2) . . ?
C35 C40 N3 119.5(2) . . ?
O2 C41 N3 122.5(2) . . ?
O2 C41 C42 119.42(19) . . ?
N3 C41 C42 118.04(19) . . ?
C43 C42 C47 119.7(2) . . ?
C43 C42 C41 121.6(2) . . ?
C47 C42 C41 118.63(19) . . ?
C44 C43 C42 121.1(2) . . ?
C44 C43 H43 119.4 . . ?
C42 C43 H43 119.4 . . ?
C45 C44 C43 119.7(2) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C44 C45 C46 119.8(2) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C47 C46 C45 121.5(2) . . ?
C47 C46 H46 119.2 . . ?
C45 C46 H46 119.2 . . ?
C46 C47 C42 118.10(19) . . ?
C46 C47 P2 119.34(16) . . ?
C42 C47 P2 122.33(16) . . ?
C49 C48 C53 118.9(2) . . ?
C49 C48 P2 123.29(17) . . ?
C53 C48 P2 117.73(16) . . ?
C48 C49 C50 120.2(2) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C51 C50 C49 120.5(2) . . ?
C51 C50 H50 119.7 . . ?
C49 C50 H50 119.7 . . ?
C50 C51 C52 119.8(2) . . ?
C50 C51 H51 120.1 . . ?
C52 C51 H51 120.1 . . ?
C51 C52 C53 120.1(2) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C52 C53 C48 120.4(2) . . ?
C52 C53 H53 119.8 . . ?
C48 C53 H53 119.8 . . ?
C55 C54 C59 119.1(2) . . ?
C55 C54 P2 121.54(17) . . ?
C59 C54 P2 119.31(17) . . ?
C56 C55 C54 120.2(2) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C57 C56 C55 120.3(2) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C58 C57 C56 119.9(2) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C57 C58 C59 120.3(2) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C54 120.2(2) . . ?
C58 C59 H59 119.9 . . ?
C54 C59 H59 119.9 . . ?
O3 C60 Rh1 177.4(2) . . ?
F4 B1 F3 112.2(2) . . ?
F4 B1 F2 110.6(2) . . ?
F3 B1 F2 109.2(2) . . ?
F4 B1 F1 109.2(2) . . ?
F3 B1 F1 108.7(2) . . ?
F2 B1 F1 106.6(2) . . ?
Cl1 C61 Cl2 112.3(2) . . ?
Cl1 C61 H61A 109.1 . . ?
Cl2 C61 H61A 109.1 . . ?
Cl1 C61 H61B 109.1 . . ?
Cl2 C61 H61B 109.1 . . ?
H61A C61 H61B 107.9 . . ?
Cl3A C62A Cl4A 115.0(6) . . ?
Cl3A C62A H62A 108.5 . . ?
Cl4A C62A H62A 108.5 . . ?
Cl3A C62A H62B 108.5 . . ?
Cl4A C62A H62B 108.5 . . ?
H62A C62A H62B 107.5 . . ?
Cl3B C62B Cl4B 116.3(5) . . ?
Cl3B C62B H62C 108.2 . . ?
Cl4B C62B H62C 108.2 . . ?
Cl3B C62B H62D 108.2 . . ?
Cl4B C62B H62D 108.2 . . ?
H62C C62B H62D 107.4 . . ?
Cl6A C63A Cl5A 112.3(5) . . ?
Cl6A C63A H63A 109.2 . . ?
Cl5A C63A H63A 109.2 . . ?
Cl6A C63A H63B 109.2 . . ?
Cl5A C63A H63B 109.2 . . ?
H63A C63A H63B 107.9 . . ?
Cl5B C63B Cl6B 122.0(7) . . ?
Cl5B C63B H63C 106.8 . . ?
Cl6B C63B H63C 106.8 . . ?
Cl5B C63B H63D 106.8 . . ?
Cl6B C63B H63D 106.8 . . ?
H63C C63B H63D 106.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 68.3(3) . . . . ?
C34 C1 C2 C3 -166.5(2) . . . . ?
C8 C5 C6 N2 2.8(3) . . . . ?
C4 C5 C6 N2 -175.1(2) . . . . ?
C8 C5 C6 C1 -171.0(2) . . . . ?
C4 C5 C6 C1 11.2(4) . . . . ?
C7 N2 C6 C5 -1.8(3) . . . . ?
C7 N2 C6 C1 172.78(19) . . . . ?
C34 C1 C6 C5 104.8(3) . . . . ?
C2 C1 C6 C5 -127.0(3) . . . . ?
C34 C1 C6 N2 -68.4(3) . . . . ?
C2 C1 C6 N2 59.8(3) . . . . ?
C6 N2 C7 C12 178.9(2) . . . . ?
C6 N2 C7 C8 0.0(2) . . . . ?
N2 C7 C8 C9 -176.7(2) . . . . ?
C12 C7 C8 C9 4.2(3) . . . . ?
N2 C7 C8 C5 1.7(2) . . . . ?
C12 C7 C8 C5 -177.4(2) . . . . ?
C6 C5 C8 C9 175.4(2) . . . . ?
C4 C5 C8 C9 -6.7(4) . . . . ?
C6 C5 C8 C7 -2.7(2) . . . . ?
C4 C5 C8 C7 175.2(2) . . . . ?
C7 C8 C9 C10 0.9(3) . . . . ?
C5 C8 C9 C10 -177.0(2) . . . . ?
C8 C9 C10 C11 -3.4(4) . . . . ?
C9 C10 C11 C12 0.8(4) . . . . ?
C10 C11 C12 C7 4.1(3) . . . . ?
C10 C11 C12 N1 -175.2(2) . . . . ?
N2 C7 C12 C11 174.5(2) . . . . ?
C8 C7 C12 C11 -6.6(3) . . . . ?
N2 C7 C12 N1 -6.1(4) . . . . ?
C8 C7 C12 N1 172.78(19) . . . . ?
C13 N1 C12 C11 39.1(3) . . . . ?
C13 N1 C12 C7 -140.2(2) . . . . ?
Rh1 O1 C13 N1 156.37(16) . . . . ?
Rh1 O1 C13 C14 -22.9(3) . . . . ?
C12 N1 C13 O1 -10.3(3) . . . . ?
C12 N1 C13 C14 169.05(19) . . . . ?
O1 C13 C14 C15 -135.8(2) . . . . ?
N1 C13 C14 C15 44.9(3) . . . . ?
O1 C13 C14 C19 46.1(3) . . . . ?
N1 C13 C14 C19 -133.2(2) . . . . ?
C19 C14 C15 C16 -1.4(3) . . . . ?
C13 C14 C15 C16 -179.5(2) . . . . ?
C14 C15 C16 C17 2.1(4) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C16 C17 C18 C19 -1.0(4) . . . . ?
C17 C18 C19 C14 1.7(4) . . . . ?
C17 C18 C19 P1 -179.5(2) . . . . ?
C15 C14 C19 C18 -0.5(3) . . . . ?
C13 C14 C19 C18 177.6(2) . . . . ?
C15 C14 C19 P1 -179.34(17) . . . . ?
C13 C14 C19 P1 -1.3(3) . . . . ?
C20 P1 C19 C18 2.3(2) . . . . ?
C26 P1 C19 C18 -109.3(2) . . . . ?
Rh1 P1 C19 C18 131.18(18) . . . . ?
C20 P1 C19 C14 -178.94(17) . . . . ?
C26 P1 C19 C14 69.54(19) . . . . ?
Rh1 P1 C19 C14 -50.01(18) . . . . ?
C26 P1 C20 C25 -172.9(2) . . . . ?
C19 P1 C20 C25 77.7(2) . . . . ?
Rh1 P1 C20 C25 -40.8(2) . . . . ?
C26 P1 C20 C21 4.9(2) . . . . ?
C19 P1 C20 C21 -104.4(2) . . . . ?
Rh1 P1 C20 C21 137.00(17) . . . . ?
C25 C20 C21 C22 1.1(4) . . . . ?
P1 C20 C21 C22 -176.66(19) . . . . ?
C20 C21 C22 C23 -1.9(4) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C22 C23 C24 C25 1.5(5) . . . . ?
C21 C20 C25 C24 0.9(4) . . . . ?
P1 C20 C25 C24 178.8(3) . . . . ?
C23 C24 C25 C20 -2.2(5) . . . . ?
C20 P1 C26 C27 -100.7(2) . . . . ?
C19 P1 C26 C27 10.8(2) . . . . ?
Rh1 P1 C26 C27 123.5(2) . . . . ?
C20 P1 C26 C31 81.3(2) . . . . ?
C19 P1 C26 C31 -167.17(19) . . . . ?
Rh1 P1 C26 C31 -54.5(2) . . . . ?
C31 C26 C27 C28 2.8(4) . . . . ?
P1 C26 C27 C28 -175.1(2) . . . . ?
C26 C27 C28 C29 -2.2(5) . . . . ?
C27 C28 C29 C30 -0.5(5) . . . . ?
C28 C29 C30 C31 2.6(4) . . . . ?
C29 C30 C31 C26 -1.9(4) . . . . ?
C27 C26 C31 C30 -0.8(4) . . . . ?
P1 C26 C31 C30 177.27(19) . . . . ?
C36 C33 C34 N4 -0.5(3) . . . . ?
C32 C33 C34 N4 178.8(2) . . . . ?
C36 C33 C34 C1 175.7(2) . . . . ?
C32 C33 C34 C1 -5.1(4) . . . . ?
C35 N4 C34 C33 0.0(3) . . . . ?
C35 N4 C34 C1 -176.47(19) . . . . ?
C6 C1 C34 C33 -74.6(3) . . . . ?
C2 C1 C34 C33 158.2(2) . . . . ?
C6 C1 C34 N4 101.1(2) . . . . ?
C2 C1 C34 N4 -26.1(3) . . . . ?
C34 N4 C35 C40 -178.0(2) . . . . ?
C34 N4 C35 C36 0.5(2) . . . . ?
N4 C35 C36 C37 179.8(2) . . . . ?
C40 C35 C36 C37 -1.6(3) . . . . ?
N4 C35 C36 C33 -0.7(2) . . . . ?
C40 C35 C36 C33 177.9(2) . . . . ?
C34 C33 C36 C37 -179.9(3) . . . . ?
C32 C33 C36 C37 0.9(4) . . . . ?
C34 C33 C36 C35 0.7(3) . . . . ?
C32 C33 C36 C35 -178.5(2) . . . . ?
C35 C36 C37 C38 1.0(4) . . . . ?
C33 C36 C37 C38 -178.3(3) . . . . ?
C36 C37 C38 C39 -0.1(4) . . . . ?
C37 C38 C39 C40 -0.3(4) . . . . ?
C38 C39 C40 C35 -0.2(4) . . . . ?
C38 C39 C40 N3 -178.6(2) . . . . ?
N4 C35 C40 C39 179.4(2) . . . . ?
C36 C35 C40 C39 1.1(3) . . . . ?
N4 C35 C40 N3 -2.1(4) . . . . ?
C36 C35 C40 N3 179.6(2) . . . . ?
C41 N3 C40 C39 -30.2(4) . . . . ?
C41 N3 C40 C35 151.4(2) . . . . ?
C40 N3 C41 O2 -0.1(4) . . . . ?
C40 N3 C41 C42 179.5(2) . . . . ?
O2 C41 C42 C43 -157.5(2) . . . . ?
N3 C41 C42 C43 22.9(3) . . . . ?
O2 C41 C42 C47 19.5(3) . . . . ?
N3 C41 C42 C47 -160.1(2) . . . . ?
C47 C42 C43 C44 0.6(3) . . . . ?
C41 C42 C43 C44 177.6(2) . . . . ?
C42 C43 C44 C45 -0.4(4) . . . . ?
C43 C44 C45 C46 0.0(4) . . . . ?
C44 C45 C46 C47 0.2(3) . . . . ?
C45 C46 C47 C42 0.0(3) . . . . ?
C45 C46 C47 P2 174.56(17) . . . . ?
C43 C42 C47 C46 -0.4(3) . . . . ?
C41 C42 C47 C46 -177.46(19) . . . . ?
C43 C42 C47 P2 -174.78(17) . . . . ?
C41 C42 C47 P2 8.2(3) . . . . ?
C54 P2 C47 C46 102.57(18) . . . . ?
C48 P2 C47 C46 -4.33(19) . . . . ?
Rh1 P2 C47 C46 -123.82(16) 2_666 . . . ?
C54 P2 C47 C42 -83.11(19) . . . . ?
C48 P2 C47 C42 169.99(17) . . . . ?
Rh1 P2 C47 C42 50.50(18) 2_666 . . . ?
C54 P2 C48 C49 -6.7(2) . . . . ?
C47 P2 C48 C49 103.5(2) . . . . ?
Rh1 P2 C48 C49 -138.43(18) 2_666 . . . ?
C54 P2 C48 C53 176.41(17) . . . . ?
C47 P2 C48 C53 -73.40(19) . . . . ?
Rh1 P2 C48 C53 44.64(19) 2_666 . . . ?
C53 C48 C49 C50 0.9(3) . . . . ?
P2 C48 C49 C50 -176.01(19) . . . . ?
C48 C49 C50 C51 1.5(4) . . . . ?
C49 C50 C51 C52 -1.9(4) . . . . ?
C50 C51 C52 C53 -0.1(4) . . . . ?
C51 C52 C53 C48 2.4(4) . . . . ?
C49 C48 C53 C52 -2.8(3) . . . . ?
P2 C48 C53 C52 174.25(18) . . . . ?
C48 P2 C54 C55 108.97(19) . . . . ?
C47 P2 C54 C55 2.4(2) . . . . ?
Rh1 P2 C54 C55 -124.92(17) 2_666 . . . ?
C48 P2 C54 C59 -70.6(2) . . . . ?
C47 P2 C54 C59 -177.17(18) . . . . ?
Rh1 P2 C54 C59 55.5(2) 2_666 . . . ?
C59 C54 C55 C56 -1.2(3) . . . . ?
P2 C54 C55 C56 179.25(18) . . . . ?
C54 C55 C56 C57 0.1(4) . . . . ?
C55 C56 C57 C58 1.0(4) . . . . ?
C56 C57 C58 C59 -1.0(4) . . . . ?
C57 C58 C59 C54 0.0(4) . . . . ?
C55 C54 C59 C58 1.1(3) . . . . ?
P2 C54 C59 C58 -179.30(19) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N F1 0.76(3) 2.13(3) 2.892(2) 173(3) .
N2 H2N F1 0.84(3) 2.10(3) 2.896(2) 157(3) .
N3 H3N F2 0.85(3) 2.37(3) 3.180(3) 159(3) .
N4 H4N F2 0.75(3) 2.18(3) 2.885(3) 157(3) .

_refine_diff_density_max         2.322
_refine_diff_density_min         -1.407
_refine_diff_density_rms         0.076

_shelxl_version_number           2013-4

