# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1448292'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2018-02-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H50 Cl2 N8 P2 Rh2, 3(C H2 Cl2)'
_chemical_formula_sum            'C63 H56 Cl8 N8 P2 Rh2'
_chemical_formula_weight         1476.52

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

_symmetry_cell_setting           MOnoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   P2(1)/n
_symmetry_Int_Tables_number      14

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

_cell_length_a                   19.6187(9)
_cell_length_b                   12.5476(6)
_cell_length_c                   25.9749(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.411(2)
_cell_angle_gamma                90.00
_cell_volume                     6382.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1576
_cell_measurement_theta_min      1.57
_cell_measurement_theta_max      30.33

_exptl_crystal_description       parallelopiped
_exptl_crystal_colour            Green
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2984
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_process_details   'Sadabs(Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            69802
_diffrn_reflns_av_R_equivalents  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0597
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.57
_diffrn_reflns_theta_max         30.33
_reflns_number_total             18894
_reflns_number_gt                13553
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART APEX II (Bruker,2010)'
_computing_cell_refinement       'SMART APEX II'
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3v2 for windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2008)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0864P)²+6.6337P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18894
_refine_ls_number_parameters     764
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0857
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1749
_refine_ls_wR_factor_gt          0.1521
_refine_ls_goodness_of_fit_ref   1.077
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.231897(14) 0.18540(2) -0.029999(10) 0.02627(8) Uani 1 1 d . . .
Rh2 Rh 0.264742(14) 0.12274(2) 0.089527(10) 0.02701(8) Uani 1 1 d . . .
Cl1 Cl 0.11216(5) 0.16751(9) -0.02392(4) 0.0425(2) Uani 1 1 d . . .
Cl2 Cl 0.15722(5) 0.19388(9) 0.11259(4) 0.0404(2) Uani 1 1 d . . .
P1 P 0.21418(5) 0.34388(8) -0.07356(4) 0.0316(2) Uani 1 1 d . . .
P2 P 0.25333(5) -0.02504(8) 0.14126(4) 0.0311(2) Uani 1 1 d . . .
N1 N 0.2188(2) 0.0936(3) -0.09262(13) 0.0368(8) Uani 1 1 d . . .
H1A H 0.184(3) 0.069(4) -0.0999(18) 0.036(13) Uiso 1 1 d . . .
N2 N 0.36605(18) 0.1475(3) -0.07301(13) 0.0378(7) Uani 1 1 d . . .
N3 N 0.33173(16) 0.1914(3) -0.03901(12) 0.0299(6) Uani 1 1 d . . .
N4 N 0.26400(16) 0.2608(2) 0.03890(11) 0.0269(6) Uani 1 1 d . . .
H4A H 0.232(2) 0.313(3) 0.0565(14) 0.018(9) Uiso 1 1 d . . .
N5 N 0.30450(19) 0.2099(3) 0.14783(13) 0.0369(7) Uani 1 1 d . . .
H5A H 0.277(3) 0.237(4) 0.168(2) 0.043(14) Uiso 1 1 d . . .
N6 N 0.41575(17) 0.1070(3) 0.09054(13) 0.0361(7) Uani 1 1 d . . .
N7 N 0.35697(16) 0.0770(3) 0.07124(12) 0.0300(6) Uani 1 1 d . . .
N8 N 0.23968(17) 0.0441(3) 0.01993(12) 0.0293(6) Uani 1 1 d . . .
H8A H 0.201(2) 0.013(4) 0.0148(18) 0.038(12) Uiso 1 1 d . . .
C1 C 0.2667(2) 0.0584(3) -0.12085(16) 0.0387(9) Uani 1 1 d . . .
C2 C 0.2505(3) -0.0100(5) -0.1641(2) 0.0627(15) Uani 1 1 d . . .
H2 H 0.2051 -0.0272 -0.1726 0.075 Uiso 1 1 calc R . .
C3 C 0.3002(4) -0.0503(5) -0.1931(2) 0.0779(19) Uani 1 1 d . . .
H3 H 0.2878 -0.0944 -0.2209 0.093 Uiso 1 1 calc R . .
C4 C 0.3688(4) -0.0273(6) -0.1821(3) 0.081(2) Uani 1 1 d . . .
H4 H 0.4018 -0.0567 -0.2021 0.097 Uiso 1 1 calc R . .
C5 C 0.3873(3) 0.0377(5) -0.1426(2) 0.0609(14) Uani 1 1 d . . .
H5 H 0.4333 0.0531 -0.1357 0.073 Uiso 1 1 calc R . .
C6 C 0.3379(2) 0.0837(4) -0.11077(17) 0.0411(9) Uani 1 1 d . . .
C7 C 0.36770(19) 0.2627(3) -0.00495(14) 0.0322(8) Uani 1 1 d . . .
C8 C 0.4354(2) 0.2934(4) -0.00971(18) 0.0414(9) Uani 1 1 d . . .
H8 H 0.4619 0.2610 -0.0338 0.050 Uiso 1 1 calc R . .
C9 C 0.4622(2) 0.3734(4) 0.0222(2) 0.0509(12) Uani 1 1 d . . .
H9 H 0.5072 0.3952 0.0195 0.061 Uiso 1 1 calc R . .
C10 C 0.4230(3) 0.4210(4) 0.05791(19) 0.0487(11) Uani 1 1 d . . .
H10 H 0.4413 0.4763 0.0782 0.058 Uiso 1 1 calc R . .
C11 C 0.3567(2) 0.3877(3) 0.06418(17) 0.0415(10) Uani 1 1 d . . .
H11 H 0.3309 0.4197 0.0888 0.050 Uiso 1 1 calc R . .
C12 C 0.32862(19) 0.3054(3) 0.03306(14) 0.0294(7) Uani 1 1 d . . .
C13 C 0.2883(2) 0.3864(4) -0.10836(17) 0.0422(10) Uani 1 1 d . . .
C14 C 0.3404(3) 0.4464(5) -0.0849(2) 0.0561(13) Uani 1 1 d . . .
H14 H 0.3373 0.4697 -0.0512 0.067 Uiso 1 1 calc R . .
C15 C 0.3975(3) 0.4721(6) -0.1118(3) 0.079(2) Uani 1 1 d . . .
H15 H 0.4323 0.5130 -0.0960 0.095 Uiso 1 1 calc R . .
C16 C 0.4026(4) 0.4376(7) -0.1610(3) 0.092(2) Uani 1 1 d . . .
H16 H 0.4402 0.4567 -0.1791 0.110 Uiso 1 1 calc R . .
C17 C 0.3525(4) 0.3747(7) -0.1841(3) 0.085(2) Uani 1 1 d . . .
H17 H 0.3574 0.3480 -0.2171 0.101 Uiso 1 1 calc R . .
C18 C 0.2949(3) 0.3510(5) -0.1584(2) 0.0623(14) Uani 1 1 d . . .
H18 H 0.2601 0.3109 -0.1748 0.075 Uiso 1 1 calc R . .
C19 C 0.1933(2) 0.4520(3) -0.03043(16) 0.0375(9) Uani 1 1 d . . .
C20 C 0.1520(2) 0.4302(4) 0.01018(18) 0.0454(10) Uani 1 1 d . . .
H20 H 0.1365 0.3611 0.0150 0.054 Uiso 1 1 calc R . .
C21 C 0.1337(3) 0.5105(5) 0.0434(2) 0.0624(14) Uani 1 1 d . . .
H21 H 0.1064 0.4952 0.0705 0.075 Uiso 1 1 calc R . .
C22 C 0.1561(4) 0.6125(5) 0.0362(3) 0.079(2) Uani 1 1 d . . .
H22 H 0.1433 0.6667 0.0581 0.094 Uiso 1 1 calc R . .
C23 C 0.1974(4) 0.6350(5) -0.0032(3) 0.080(2) Uani 1 1 d . . .
H23 H 0.2136 0.7040 -0.0069 0.096 Uiso 1 1 calc R . .
C24 C 0.2154(3) 0.5575(4) -0.0374(2) 0.0611(14) Uani 1 1 d . . .
H24 H 0.2418 0.5747 -0.0647 0.073 Uiso 1 1 calc R . .
C25 C 0.1441(2) 0.3508(4) -0.12295(15) 0.0359(8) Uani 1 1 d . . .
C26 C 0.1029(3) 0.4380(5) -0.1274(2) 0.0638(15) Uani 1 1 d . . .
H26 H 0.1080 0.4923 -0.1032 0.077 Uiso 1 1 calc R . .
C27 C 0.0532(3) 0.4471(6) -0.1678(3) 0.0773(19) Uani 1 1 d . . .
H27 H 0.0253 0.5071 -0.1700 0.093 Uiso 1 1 calc R . .
C28 C 0.0449(3) 0.3696(5) -0.20390(19) 0.0572(14) Uani 1 1 d . . .
H28 H 0.0128 0.3771 -0.2314 0.069 Uiso 1 1 calc R . .
C29 C 0.0839(3) 0.2817(5) -0.1994(2) 0.0670(16) Uani 1 1 d . . .
H29 H 0.0774 0.2274 -0.2236 0.080 Uiso 1 1 calc R . .
C30 C 0.1338(3) 0.2698(5) -0.15930(19) 0.0563(13) Uani 1 1 d . . .
H30 H 0.1601 0.2082 -0.1568 0.068 Uiso 1 1 calc R . .
C31 C 0.3703(2) 0.2289(4) 0.15740(15) 0.0375(9) Uani 1 1 d . . .
C32 C 0.3926(3) 0.3044(4) 0.19676(18) 0.0526(12) Uani 1 1 d . . .
H32 H 0.3606 0.3356 0.2171 0.063 Uiso 1 1 calc R . .
C33 C 0.4593(3) 0.3305(5) 0.2045(2) 0.0653(16) Uani 1 1 d . . .
H33 H 0.4718 0.3815 0.2293 0.078 Uiso 1 1 calc R . .
C34 C 0.5106(3) 0.2830(5) 0.1763(2) 0.0646(16) Uani 1 1 d . . .
H34 H 0.5561 0.3024 0.1824 0.078 Uiso 1 1 calc R . .
C35 C 0.4926(2) 0.2090(4) 0.14025(18) 0.0497(11) Uani 1 1 d . . .
H35 H 0.5264 0.1760 0.1223 0.060 Uiso 1 1 calc R . .
C36 C 0.4227(2) 0.1801(4) 0.12894(16) 0.0381(9) Uani 1 1 d . . .
C37 C 0.3574(2) -0.0021(3) 0.03194(14) 0.0329(8) Uani 1 1 d . . .
C38 C 0.4155(2) -0.0574(4) 0.01858(17) 0.0424(10) Uani 1 1 d . . .
H38 H 0.4580 -0.0416 0.0345 0.051 Uiso 1 1 calc R . .
C39 C 0.4091(3) -0.1354(4) -0.01843(19) 0.0523(12) Uani 1 1 d . . .
H39 H 0.4476 -0.1719 -0.0279 0.063 Uiso 1 1 calc R . .
C40 C 0.3458(3) -0.1603(4) -0.04188(18) 0.0512(12) Uani 1 1 d . . .
H40 H 0.3419 -0.2149 -0.0661 0.061 Uiso 1 1 calc R . .
C41 C 0.2886(3) -0.1046(3) -0.02936(16) 0.0421(10) Uani 1 1 d . . .
H41 H 0.2463 -0.1215 -0.0453 0.051 Uiso 1 1 calc R . .
C42 C 0.2936(2) -0.0223(3) 0.00735(14) 0.0323(8) Uani 1 1 d . . .
C43 C 0.3181(2) -0.1275(3) 0.13173(16) 0.0379(9) Uani 1 1 d . . .
C44 C 0.3031(3) -0.2157(4) 0.10144(19) 0.0466(10) Uani 1 1 d . . .
H44 H 0.2589 -0.2253 0.0871 0.056 Uiso 1 1 calc R . .
C45 C 0.3531(3) -0.2901(5) 0.0922(2) 0.0635(15) Uani 1 1 d . . .
H45 H 0.3425 -0.3489 0.0715 0.076 Uiso 1 1 calc R . .
C46 C 0.4179(3) -0.2772(5) 0.1134(3) 0.0712(18) Uani 1 1 d . . .
H46 H 0.4509 -0.3286 0.1080 0.085 Uiso 1 1 calc R . .
C47 C 0.4345(3) -0.1889(5) 0.1424(3) 0.0688(18) Uani 1 1 d . . .
H47 H 0.4790 -0.1798 0.1561 0.083 Uiso 1 1 calc R . .
C48 C 0.3845(2) -0.1119(4) 0.1515(2) 0.0517(12) Uani 1 1 d . . .
H48 H 0.3959 -0.0511 0.1706 0.062 Uiso 1 1 calc R . .
C49 C 0.2576(2) -0.0029(4) 0.21129(15) 0.0387(9) Uani 1 1 d . . .
C50 C 0.2187(3) 0.0785(4) 0.23008(18) 0.0522(12) Uani 1 1 d . . .
H50 H 0.1931 0.1222 0.2074 0.063 Uiso 1 1 calc R . .
C51 C 0.2178(4) 0.0951(5) 0.2830(2) 0.0652(15) Uani 1 1 d . . .
H51 H 0.1913 0.1499 0.2953 0.078 Uiso 1 1 calc R . .
C52 C 0.2552(4) 0.0322(5) 0.31724(19) 0.0707(18) Uani 1 1 d . . .
H52 H 0.2545 0.0447 0.3525 0.085 Uiso 1 1 calc R . .
C53 C 0.2934(3) -0.0491(5) 0.2991(2) 0.0678(16) Uani 1 1 d . . .
H53 H 0.3190 -0.0919 0.3222 0.081 Uiso 1 1 calc R . .
C54 C 0.2944(3) -0.0684(4) 0.24619(18) 0.0538(12) Uani 1 1 d . . .
H54 H 0.3196 -0.1250 0.2343 0.065 Uiso 1 1 calc R . .
C55 C 0.1721(2) -0.0954(4) 0.13124(15) 0.0358(8) Uani 1 1 d . . .
C56 C 0.1602(3) -0.1839(4) 0.16144(18) 0.0494(11) Uani 1 1 d . . .
H56 H 0.1936 -0.2065 0.1859 0.059 Uiso 1 1 calc R . .
C57 C 0.0993(3) -0.2387(5) 0.1555(2) 0.0605(14) Uani 1 1 d . . .
H57 H 0.0916 -0.2975 0.1762 0.073 Uiso 1 1 calc R . .
C58 C 0.0496(3) -0.2064(5) 0.1188(2) 0.0586(14) Uani 1 1 d . . .
H58 H 0.0088 -0.2442 0.1146 0.070 Uiso 1 1 calc R . .
C59 C 0.0601(3) -0.1192(5) 0.0888(2) 0.0531(12) Uani 1 1 d . . .
H59 H 0.0263 -0.0972 0.0646 0.064 Uiso 1 1 calc R . .
C60 C 0.1218(2) -0.0629(4) 0.09459(16) 0.0408(9) Uani 1 1 d . . .
H60 H 0.1291 -0.0039 0.0739 0.049 Uiso 1 1 calc R . .
C61 C 1.0184(6) 0.0951(12) 0.1878(4) 0.151(5) Uani 1 1 d . . .
H61A H 1.0115 0.1385 0.1570 0.182 Uiso 1 1 calc R . .
H61B H 1.0573 0.0493 0.1831 0.182 Uiso 1 1 calc R . .
Cl3 Cl 1.03709(19) 0.1766(4) 0.23875(15) 0.205(2) Uani 1 1 d . . .
Cl4 Cl 0.94885(14) 0.0183(2) 0.19349(10) 0.1228(8) Uani 1 1 d . . .
C62 C 0.9786(5) 0.2232(9) 0.0463(4) 0.112(3) Uani 1 1 d . . .
H62A H 1.0242 0.1929 0.0489 0.135 Uiso 1 1 calc R . .
H62B H 0.9707 0.2500 0.0115 0.135 Uiso 1 1 calc R . .
Cl5 Cl 0.97741(19) 0.3279(3) 0.08720(19) 0.1867(18) Uani 1 1 d . . .
Cl6 Cl 0.92224(18) 0.1235(3) 0.05485(12) 0.1451(11) Uani 1 1 d . . .
C63 C 0.7839(10) 0.3742(11) 0.2035(7) 0.217(9) Uani 1 1 d . . .
H63A H 0.8099 0.3895 0.2356 0.261 Uiso 1 1 calc R . .
H63B H 0.7805 0.4401 0.1840 0.261 Uiso 1 1 calc R . .
Cl7 Cl 0.8275(3) 0.2887(4) 0.1710(3) 0.284(4) Uani 1 1 d . . .
Cl8 Cl 0.7091(2) 0.3395(4) 0.2169(3) 0.279(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 N3 1.988(3) . ?
Rh1 N1 1.997(3) . ?
Rh1 N4 2.088(3) . ?
Rh1 N8 2.196(3) . ?
Rh1 P1 2.3040(11) . ?
Rh1 Cl1 2.3743(10) . ?
Rh2 N7 1.983(3) . ?
Rh2 N5 1.989(3) . ?
Rh2 N8 2.092(3) . ?
Rh2 N4 2.174(3) . ?
Rh2 P2 2.3087(10) . ?
Rh2 Cl2 2.3991(10) . ?
P1 C19 1.822(4) . ?
P1 C25 1.826(4) . ?
P1 C13 1.837(5) . ?
P2 C55 1.828(4) . ?
P2 C43 1.836(4) . ?
P2 C49 1.837(4) . ?
N1 C1 1.303(6) . ?
N1 H1A 0.76(5) . ?
N2 N3 1.268(5) . ?
N2 C6 1.357(6) . ?
N3 C7 1.416(5) . ?
N4 C12 1.402(5) . ?
N4 H4A 1.04(4) . ?
N5 C31 1.321(5) . ?
N5 H5A 0.85(5) . ?
N6 N7 1.286(4) . ?
N6 C36 1.355(6) . ?
N7 C37 1.424(5) . ?
N8 C42 1.401(5) . ?
N8 H8A 0.86(5) . ?
C1 C2 1.434(6) . ?
C1 C6 1.441(6) . ?
C2 C3 1.363(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.344(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.431(7) . ?
C5 H5 0.9300 . ?
C7 C12 1.393(6) . ?
C7 C8 1.396(6) . ?
C8 C9 1.386(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.377(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.385(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.404(5) . ?
C11 H11 0.9300 . ?
C13 C14 1.381(7) . ?
C13 C18 1.388(7) . ?
C14 C15 1.392(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.360(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.379(8) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.396(7) . ?
C19 C24 1.407(7) . ?
C20 C21 1.388(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.369(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.372(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(8) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.360(7) . ?
C25 C30 1.394(7) . ?
C26 C27 1.395(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.353(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.344(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.395(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.439(6) . ?
C31 C32 1.443(6) . ?
C32 C33 1.352(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.413(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.351(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.431(6) . ?
C35 H35 0.9300 . ?
C37 C42 1.394(6) . ?
C37 C38 1.396(6) . ?
C38 C39 1.372(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.386(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.378(7) . ?
C40 H40 0.9300 . ?
C41 C42 1.404(6) . ?
C41 H41 0.9300 . ?
C43 C44 1.379(7) . ?
C43 C48 1.385(6) . ?
C44 C45 1.386(7) . ?
C44 H44 0.9300 . ?
C45 C46 1.363(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.369(10) . ?
C46 H46 0.9300 . ?
C47 C48 1.407(8) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C50 1.381(7) . ?
C49 C54 1.393(6) . ?
C50 C51 1.391(7) . ?
C50 H50 0.9300 . ?
C51 C52 1.369(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.367(9) . ?
C52 H52 0.9300 . ?
C53 C54 1.397(7) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C56 1.387(6) . ?
C55 C60 1.390(6) . ?
C56 C57 1.380(7) . ?
C56 H56 0.9300 . ?
C57 C58 1.382(8) . ?
C57 H57 0.9300 . ?
C58 C59 1.366(8) . ?
C58 H58 0.9300 . ?
C59 C60 1.402(6) . ?
C59 H59 0.9300 . ?
C60 H60 0.9300 . ?
C61 Cl4 1.684(11) . ?
C61 Cl3 1.695(11) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 Cl5 1.690(10) . ?
C62 Cl6 1.693(11) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 Cl8 1.588(16) . ?
C63 Cl7 1.638(14) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Rh1 N1 90.32(15) . . ?
N3 Rh1 N4 80.48(13) . . ?
N1 Rh1 N4 167.65(14) . . ?
N3 Rh1 N8 93.77(13) . . ?
N1 Rh1 N8 90.94(13) . . ?
N4 Rh1 N8 81.53(11) . . ?
N3 Rh1 P1 91.74(9) . . ?
N1 Rh1 P1 95.14(11) . . ?
N4 Rh1 P1 93.37(9) . . ?
N8 Rh1 P1 171.77(9) . . ?
N3 Rh1 Cl1 175.63(10) . . ?
N1 Rh1 Cl1 85.42(12) . . ?
N4 Rh1 Cl1 103.59(9) . . ?
N8 Rh1 Cl1 85.34(9) . . ?
P1 Rh1 Cl1 89.62(4) . . ?
N7 Rh2 N5 91.12(15) . . ?
N7 Rh2 N8 80.06(13) . . ?
N5 Rh2 N8 168.05(14) . . ?
N7 Rh2 N4 93.40(12) . . ?
N5 Rh2 N4 90.60(13) . . ?
N8 Rh2 N4 81.97(11) . . ?
N7 Rh2 P2 91.62(9) . . ?
N5 Rh2 P2 92.62(11) . . ?
N8 Rh2 P2 95.64(9) . . ?
N4 Rh2 P2 173.98(8) . . ?
N7 Rh2 Cl2 174.89(10) . . ?
N5 Rh2 Cl2 85.19(12) . . ?
N8 Rh2 Cl2 103.07(10) . . ?
N4 Rh2 Cl2 83.12(9) . . ?
P2 Rh2 Cl2 92.08(4) . . ?
C19 P1 C25 102.1(2) . . ?
C19 P1 C13 107.4(2) . . ?
C25 P1 C13 103.05(19) . . ?
C19 P1 Rh1 111.94(14) . . ?
C25 P1 Rh1 118.13(14) . . ?
C13 P1 Rh1 113.05(14) . . ?
C55 P2 C43 104.3(2) . . ?
C55 P2 C49 101.64(19) . . ?
C43 P2 C49 104.4(2) . . ?
C55 P2 Rh2 114.79(14) . . ?
C43 P2 Rh2 113.10(13) . . ?
C49 P2 Rh2 117.05(15) . . ?
C1 N1 Rh1 126.3(3) . . ?
C1 N1 H1A 113(4) . . ?
Rh1 N1 H1A 120(4) . . ?
N3 N2 C6 123.3(4) . . ?
N2 N3 C7 116.4(3) . . ?
N2 N3 Rh1 129.3(3) . . ?
C7 N3 Rh1 114.1(2) . . ?
C12 N4 Rh1 108.4(2) . . ?
C12 N4 Rh2 114.2(2) . . ?
Rh1 N4 Rh2 98.52(12) . . ?
C12 N4 H4A 112(2) . . ?
Rh1 N4 H4A 120(2) . . ?
Rh2 N4 H4A 103(2) . . ?
C31 N5 Rh2 125.2(3) . . ?
C31 N5 H5A 117(3) . . ?
Rh2 N5 H5A 118(3) . . ?
N7 N6 C36 122.3(4) . . ?
N6 N7 C37 116.1(3) . . ?
N6 N7 Rh2 129.1(3) . . ?
C37 N7 Rh2 114.7(2) . . ?
C42 N8 Rh2 109.9(2) . . ?
C42 N8 Rh1 111.7(2) . . ?
Rh2 N8 Rh1 97.72(13) . . ?
C42 N8 H8A 112(3) . . ?
Rh2 N8 H8A 121(3) . . ?
Rh1 N8 H8A 104(3) . . ?
N1 C1 C2 120.7(5) . . ?
N1 C1 C6 123.1(4) . . ?
C2 C1 C6 116.2(4) . . ?
C3 C2 C1 121.5(6) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 121.7(5) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 119.8(6) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.7(6) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
N2 C6 C5 113.3(4) . . ?
N2 C6 C1 127.5(4) . . ?
C5 C6 C1 119.2(4) . . ?
C12 C7 C8 121.6(4) . . ?
C12 C7 N3 114.2(3) . . ?
C8 C7 N3 124.1(4) . . ?
C9 C8 C7 118.5(4) . . ?
C9 C8 H8 120.8 . . ?
C7 C8 H8 120.8 . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 121.0(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C10 C11 C12 119.6(4) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 N4 117.6(3) . . ?
C7 C12 C11 118.5(4) . . ?
N4 C12 C11 123.9(4) . . ?
C14 C13 C18 118.7(5) . . ?
C14 C13 P1 121.9(4) . . ?
C18 C13 P1 119.3(4) . . ?
C13 C14 C15 120.1(6) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 120.2(6) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.3(6) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 120.0(7) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.6(6) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C20 C19 C24 118.6(4) . . ?
C20 C19 P1 118.7(3) . . ?
C24 C19 P1 122.7(4) . . ?
C21 C20 C19 120.7(5) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 119.9(6) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.1(5) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 121.4(6) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 119.3(6) . . ?
C23 C24 H24 120.4 . . ?
C19 C24 H24 120.4 . . ?
C26 C25 C30 117.9(4) . . ?
C26 C25 P1 121.1(4) . . ?
C30 C25 P1 120.9(4) . . ?
C25 C26 C27 121.0(6) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 120.8(6) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.1(5) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C28 C29 C30 121.6(6) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C25 C30 C29 119.7(5) . . ?
C25 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
N5 C31 C36 123.1(4) . . ?
N5 C31 C32 120.3(4) . . ?
C36 C31 C32 116.6(4) . . ?
C33 C32 C31 121.0(5) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C34 122.2(5) . . ?
C32 C33 H33 118.9 . . ?
C34 C33 H33 118.9 . . ?
C35 C34 C33 119.0(5) . . ?
C35 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
C34 C35 C36 121.6(5) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
N6 C36 C35 112.1(4) . . ?
N6 C36 C31 128.5(4) . . ?
C35 C36 C31 119.5(4) . . ?
C42 C37 C38 121.3(4) . . ?
C42 C37 N7 114.3(3) . . ?
C38 C37 N7 124.4(4) . . ?
C39 C38 C37 119.1(4) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C38 C39 C40 120.8(4) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C41 C40 C39 120.2(4) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 120.5(4) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C37 C42 N8 117.1(3) . . ?
C37 C42 C41 118.0(4) . . ?
N8 C42 C41 124.9(4) . . ?
C44 C43 C48 119.3(5) . . ?
C44 C43 P2 120.8(3) . . ?
C48 C43 P2 119.6(4) . . ?
C43 C44 C45 120.6(5) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C46 C45 C44 120.3(6) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 120.2(6) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C48 120.3(6) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C43 C48 C47 119.3(6) . . ?
C43 C48 H48 120.3 . . ?
C47 C48 H48 120.3 . . ?
C50 C49 C54 118.8(4) . . ?
C50 C49 P2 117.9(3) . . ?
C54 C49 P2 123.1(4) . . ?
C49 C50 C51 119.9(5) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 121.2(6) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C53 C52 C51 119.3(5) . . ?
C53 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
C52 C53 C54 120.6(5) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C49 C54 C53 120.1(5) . . ?
C49 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C56 C55 C60 119.1(4) . . ?
C56 C55 P2 118.7(3) . . ?
C60 C55 P2 122.2(3) . . ?
C57 C56 C55 120.6(5) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C56 C57 C58 120.2(5) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 H57 119.9 . . ?
C59 C58 C57 120.2(5) . . ?
C59 C58 H58 119.9 . . ?
C57 C58 H58 119.9 . . ?
C58 C59 C60 120.1(5) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C55 C60 C59 119.8(4) . . ?
C55 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
Cl4 C61 Cl3 114.5(6) . . ?
Cl4 C61 H61A 108.6 . . ?
Cl3 C61 H61A 108.6 . . ?
Cl4 C61 H61B 108.6 . . ?
Cl3 C61 H61B 108.6 . . ?
H61A C61 H61B 107.6 . . ?
Cl5 C62 Cl6 117.3(5) . . ?
Cl5 C62 H62A 108.0 . . ?
Cl6 C62 H62A 108.0 . . ?
Cl5 C62 H62B 108.0 . . ?
Cl6 C62 H62B 108.0 . . ?
H62A C62 H62B 107.2 . . ?
Cl8 C63 Cl7 116.8(10) . . ?
Cl8 C63 H63A 108.1 . . ?
Cl7 C63 H63A 108.1 . . ?
Cl8 C63 H63B 108.1 . . ?
Cl7 C63 H63B 108.1 . . ?
H63A C63 H63B 107.3 . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        30.33
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.680
_refine_diff_density_min         -1.478
_refine_diff_density_rms         0.138
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1448293'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2018-02-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H26 Cl2 N4 P Rh, 2(C H2 Cl2)'
_chemical_formula_sum            'C32 H30 Cl6 N4 P Rh'
_chemical_formula_weight         817.18

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

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   P-1
_symmetry_Int_Tables_number      2

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

_cell_length_a                   10.8829(9)
_cell_length_b                   12.4756(10)
_cell_length_c                   14.0207(12)
_cell_angle_alpha                70.126(5)
_cell_angle_beta                 89.504(5)
_cell_angle_gamma                78.191(5)
_cell_volume                     1748.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    912
_cell_measurement_theta_min      1.78
_cell_measurement_theta_max      27.52

_exptl_crystal_description       parallelopiped
_exptl_crystal_colour            Blue
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_process_details   'Sadabs(Sheldrick, 1996)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28848
_diffrn_reflns_av_R_equivalents  0.0782
_diffrn_reflns_av_sigmaI/netI    0.0690
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         27.52
_reflns_number_total             7857
_reflns_number_gt                5392
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART APEX II (Bruker,2010)'
_computing_cell_refinement       'SMART APEX II'
_computing_data_reduction        'SAINT (Bruker,2000)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Ortep-3v2 for windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2008)'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0737P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7857
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1376
_refine_ls_wR_factor_gt          0.1221
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.79905(3) 0.55748(2) 0.60898(2) 0.03500(11) Uani 1 1 d . . .
P1 P 0.68180(9) 0.74497(8) 0.56388(7) 0.0359(2) Uani 1 1 d . . .
Cl1 Cl 0.76273(10) 0.56705(9) 0.43859(7) 0.0448(2) Uani 1 1 d . . .
Cl2 Cl 0.91623(10) 0.35633(8) 0.65525(8) 0.0470(2) Uani 1 1 d . . .
N1 N 0.9774(3) 0.5991(3) 0.5923(2) 0.0394(7) Uani 1 1 d . . .
H1A H 1.0316 0.5439 0.5762 0.047 Uiso 1 1 calc R . .
H1B H 0.9726 0.6678 0.5418 0.047 Uiso 1 1 calc R . .
N2 N 0.8344(3) 0.5436(3) 0.7510(2) 0.0385(7) Uani 1 1 d . . .
N3 N 0.7708(3) 0.5080(3) 0.8282(2) 0.0445(8) Uani 1 1 d . . .
N4 N 0.6453(3) 0.4965(3) 0.6441(3) 0.0464(8) Uani 1 1 d . . .
H4A H 0.6030 0.4895 0.5959 0.056 Uiso 1 1 calc R . .
C12 C 0.6022(4) 0.4657(4) 0.7344(4) 0.0487(10) Uani 1 1 d . . .
C11 C 0.4875(5) 0.4212(4) 0.7486(4) 0.0651(14) Uani 1 1 d . . .
H11 H 0.4466 0.4127 0.6944 0.078 Uiso 1 1 calc R . .
C10 C 0.4411(6) 0.3921(5) 0.8413(5) 0.0850(19) Uani 1 1 d . . .
H10 H 0.3660 0.3664 0.8486 0.102 Uiso 1 1 calc R . .
C9 C 0.4979(6) 0.3984(5) 0.9250(5) 0.0841(18) Uani 1 1 d . . .
H9 H 0.4629 0.3759 0.9876 0.101 Uiso 1 1 calc R . .
C8 C 0.6061(5) 0.4379(4) 0.9160(4) 0.0691(14) Uani 1 1 d . . .
H8 H 0.6448 0.4412 0.9735 0.083 Uiso 1 1 calc R . .
C7 C 0.6629(4) 0.4745(4) 0.8214(3) 0.0485(10) Uani 1 1 d . . .
C6 C 0.9470(4) 0.5761(3) 0.7690(3) 0.0418(9) Uani 1 1 d . . .
C5 C 0.9852(5) 0.5821(4) 0.8618(3) 0.0551(11) Uani 1 1 d . . .
H5 H 0.9360 0.5634 0.9172 0.066 Uiso 1 1 calc R . .
C4 C 1.0946(5) 0.6155(5) 0.8706(4) 0.0688(14) Uani 1 1 d . . .
H4 H 1.1194 0.6199 0.9322 0.083 Uiso 1 1 calc R . .
C3 C 1.1700(5) 0.6430(5) 0.7894(4) 0.0684(14) Uani 1 1 d . . .
H3 H 1.2454 0.6643 0.7972 0.082 Uiso 1 1 calc R . .
C2 C 1.1334(4) 0.6389(4) 0.6970(4) 0.0525(11) Uani 1 1 d . . .
H2 H 1.1834 0.6580 0.6421 0.063 Uiso 1 1 calc R . .
C1 C 1.0220(4) 0.6061(3) 0.6866(3) 0.0415(9) Uani 1 1 d . . .
C13 C 0.6265(5) 0.7872(3) 0.6728(3) 0.0478(10) Uani 1 1 d . . .
C14 C 0.7149(6) 0.7952(4) 0.7388(4) 0.0672(14) Uani 1 1 d . . .
H14 H 0.7996 0.7838 0.7259 0.081 Uiso 1 1 calc R . .
C15 C 0.6752(8) 0.8207(5) 0.8249(4) 0.093(2) Uani 1 1 d . . .
H15 H 0.7346 0.8239 0.8706 0.112 Uiso 1 1 calc R . .
C16 C 0.5523(9) 0.8408(5) 0.8430(5) 0.099(3) Uani 1 1 d . . .
H16 H 0.5269 0.8579 0.9006 0.119 Uiso 1 1 calc R . .
C17 C 0.4662(7) 0.8356(5) 0.7763(5) 0.095(2) Uani 1 1 d . . .
H17 H 0.3815 0.8492 0.7890 0.114 Uiso 1 1 calc R . .
C18 C 0.5007(5) 0.8113(5) 0.6919(4) 0.0680(15) Uani 1 1 d . . .
H18 H 0.4395 0.8107 0.6463 0.082 Uiso 1 1 calc R . .
C19 C 0.7680(4) 0.8555(3) 0.4929(3) 0.0403(9) Uani 1 1 d . . .
C24 C 0.7558(4) 0.9608(4) 0.5104(4) 0.0552(12) Uani 1 1 d . . .
H24 H 0.7042 0.9761 0.5595 0.066 Uiso 1 1 calc R . .
C23 C 0.8219(5) 1.0423(4) 0.4532(4) 0.0700(15) Uani 1 1 d . . .
H23 H 0.8153 1.1122 0.4649 0.084 Uiso 1 1 calc R . .
C22 C 0.8971(5) 1.0209(4) 0.3796(4) 0.0660(14) Uani 1 1 d . . .
H22 H 0.9408 1.0762 0.3417 0.079 Uiso 1 1 calc R . .
C21 C 0.9075(5) 0.9183(4) 0.3622(4) 0.0574(12) Uani 1 1 d . . .
H21 H 0.9579 0.9040 0.3121 0.069 Uiso 1 1 calc R . .
C20 C 0.8437(4) 0.8361(3) 0.4182(3) 0.0460(10) Uani 1 1 d . . .
H20 H 0.8516 0.7664 0.4058 0.055 Uiso 1 1 calc R . .
C25 C 0.5415(4) 0.7710(3) 0.4822(3) 0.0373(8) Uani 1 1 d . . .
C26 C 0.5276(4) 0.8502(4) 0.3838(3) 0.0468(10) Uani 1 1 d . . .
H26 H 0.5884 0.8939 0.3601 0.056 Uiso 1 1 calc R . .
C27 C 0.4235(5) 0.8650(4) 0.3202(3) 0.0577(12) Uani 1 1 d . . .
H27 H 0.4157 0.9177 0.2540 0.069 Uiso 1 1 calc R . .
C28 C 0.3329(4) 0.8030(4) 0.3541(3) 0.0554(11) Uani 1 1 d . . .
H28 H 0.2627 0.8146 0.3116 0.066 Uiso 1 1 calc R . .
C29 C 0.3452(4) 0.7237(4) 0.4507(3) 0.0491(10) Uani 1 1 d . . .
H29 H 0.2841 0.6800 0.4731 0.059 Uiso 1 1 calc R . .
C30 C 0.4482(4) 0.7079(3) 0.5158(3) 0.0438(9) Uani 1 1 d . . .
H30 H 0.4548 0.6551 0.5820 0.053 Uiso 1 1 calc R . .
C31 C 1.2100(11) 0.8328(7) 0.0824(6) 0.177(5) Uani 1 1 d . . .
H31B H 1.1824 0.7653 0.1278 0.212 Uiso 1 1 calc R . .
H31A H 1.3002 0.8201 0.0955 0.212 Uiso 1 1 calc R . .
Cl3 Cl 1.1793(3) 0.8435(2) -0.0433(2) 0.1611(10) Uani 1 1 d . . .
Cl4 Cl 1.1387(3) 0.95239(19) 0.10979(18) 0.1547(10) Uani 1 1 d . . .
C32 C 2.1746(8) 1.2029(8) -0.1552(7) 0.138(3) Uani 1 1 d . . .
H32B H 2.1675 1.2566 -0.2247 0.166 Uiso 1 1 calc R . .
H32A H 2.1169 1.1518 -0.1510 0.166 Uiso 1 1 calc R . .
Cl5 Cl 2.1288(2) 1.2798(2) -0.07917(17) 0.1255(7) Uani 1 1 d . . .
Cl6 Cl 2.3228(3) 1.1209(3) -0.1293(3) 0.1843(13) 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 N4 1.968(3) . ?
Rh1 N2 1.974(3) . ?
Rh1 N1 2.100(3) . ?
Rh1 P1 2.2991(10) . ?
Rh1 Cl1 2.3835(10) . ?
Rh1 Cl2 2.4377(10) . ?
P1 C25 1.823(4) . ?
P1 C19 1.831(4) . ?
P1 C13 1.837(4) . ?
N1 C1 1.449(5) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 N3 1.278(4) . ?
N2 C6 1.417(5) . ?
N3 C7 1.339(5) . ?
N4 C12 1.306(5) . ?
N4 H4A 0.8600 . ?
C12 C7 1.438(6) . ?
C12 C11 1.453(6) . ?
C11 C10 1.349(7) . ?
C11 H11 0.9300 . ?
C10 C9 1.364(8) . ?
C10 H10 0.9300 . ?
C9 C8 1.355(7) . ?
C9 H9 0.9300 . ?
C8 C7 1.428(6) . ?
C8 H8 0.9300 . ?
C6 C1 1.399(5) . ?
C6 C5 1.401(6) . ?
C5 C4 1.359(6) . ?
C5 H5 0.9300 . ?
C4 C3 1.386(7) . ?
C4 H4 0.9300 . ?
C3 C2 1.380(6) . ?
C3 H3 0.9300 . ?
C2 C1 1.380(5) . ?
C2 H2 0.9300 . ?
C13 C14 1.381(6) . ?
C13 C18 1.384(7) . ?
C14 C15 1.392(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.348(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.355(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.350(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.382(6) . ?
C19 C24 1.397(5) . ?
C24 C23 1.389(6) . ?
C24 H24 0.9300 . ?
C23 C22 1.374(7) . ?
C23 H23 0.9300 . ?
C22 C21 1.366(6) . ?
C22 H22 0.9300 . ?
C21 C20 1.372(6) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
C25 C26 1.384(5) . ?
C25 C30 1.394(5) . ?
C26 C27 1.391(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.360(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.367(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.391(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 Cl4 1.698(8) . ?
C31 Cl3 1.753(8) . ?
C31 H31B 0.9700 . ?
C31 H31A 0.9700 . ?
C32 Cl5 1.672(8) . ?
C32 Cl6 1.691(9) . ?
C32 H32B 0.9700 . ?
C32 H32A 0.9700 . ?

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
N4 Rh1 N2 91.53(14) . . ?
N4 Rh1 N1 170.57(13) . . ?
N2 Rh1 N1 82.22(12) . . ?
N4 Rh1 P1 90.01(10) . . ?
N2 Rh1 P1 94.16(9) . . ?
N1 Rh1 P1 97.46(9) . . ?
N4 Rh1 Cl1 88.95(11) . . ?
N2 Rh1 Cl1 177.65(9) . . ?
N1 Rh1 Cl1 97.01(9) . . ?
P1 Rh1 Cl1 88.15(4) . . ?
N4 Rh1 Cl2 88.03(10) . . ?
N2 Rh1 Cl2 86.89(9) . . ?
N1 Rh1 Cl2 84.59(9) . . ?
P1 Rh1 Cl2 177.80(4) . . ?
Cl1 Rh1 Cl2 90.82(4) . . ?
C25 P1 C19 104.85(18) . . ?
C25 P1 C13 105.9(2) . . ?
C19 P1 C13 105.02(18) . . ?
C25 P1 Rh1 113.29(12) . . ?
C19 P1 Rh1 113.29(13) . . ?
C13 P1 Rh1 113.68(14) . . ?
C1 N1 Rh1 109.5(2) . . ?
C1 N1 H1A 109.8 . . ?
Rh1 N1 H1A 109.8 . . ?
C1 N1 H1B 109.8 . . ?
Rh1 N1 H1B 109.8 . . ?
H1A N1 H1B 108.2 . . ?
N3 N2 C6 116.3(3) . . ?
N3 N2 Rh1 128.9(3) . . ?
C6 N2 Rh1 114.8(2) . . ?
N2 N3 C7 122.1(3) . . ?
C12 N4 Rh1 125.5(3) . . ?
C12 N4 H4A 117.2 . . ?
Rh1 N4 H4A 117.2 . . ?
N4 C12 C7 122.9(4) . . ?
N4 C12 C11 119.1(4) . . ?
C7 C12 C11 118.0(4) . . ?
C10 C11 C12 119.1(5) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C10 C9 123.8(5) . . ?
C11 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
C8 C9 C10 119.3(5) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
C9 C8 C7 122.4(5) . . ?
C9 C8 H8 118.8 . . ?
C7 C8 H8 118.8 . . ?
N3 C7 C8 113.6(4) . . ?
N3 C7 C12 128.9(4) . . ?
C8 C7 C12 117.4(4) . . ?
C1 C6 C5 119.0(4) . . ?
C1 C6 N2 116.5(3) . . ?
C5 C6 N2 124.4(4) . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C2 C3 C4 120.0(4) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C1 C2 C3 119.4(4) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C2 C1 C6 120.6(4) . . ?
C2 C1 N1 122.8(4) . . ?
C6 C1 N1 116.6(3) . . ?
C14 C13 C18 118.5(4) . . ?
C14 C13 P1 118.3(4) . . ?
C18 C13 P1 123.2(4) . . ?
C13 C14 C15 119.1(6) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C16 C15 C14 121.1(6) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C17 119.2(6) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C18 C17 C16 121.5(7) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C13 120.5(6) . . ?
C17 C18 H18 119.8 . . ?
C13 C18 H18 119.8 . . ?
C20 C19 C24 119.2(4) . . ?
C20 C19 P1 119.4(3) . . ?
C24 C19 P1 121.3(3) . . ?
C23 C24 C19 118.9(4) . . ?
C23 C24 H24 120.6 . . ?
C19 C24 H24 120.6 . . ?
C22 C23 C24 120.9(4) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C21 C22 C23 119.8(4) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C26 C25 C30 118.4(4) . . ?
C26 C25 P1 120.9(3) . . ?
C30 C25 P1 120.6(3) . . ?
C25 C26 C27 120.5(4) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 120.5(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 120.0(4) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C30 120.5(4) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.1(4) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
Cl4 C31 Cl3 114.0(5) . . ?
Cl4 C31 H31B 108.8 . . ?
Cl3 C31 H31B 108.8 . . ?
Cl4 C31 H31A 108.8 . . ?
Cl3 C31 H31A 108.8 . . ?
H31B C31 H31A 107.7 . . ?
Cl5 C32 Cl6 115.5(5) . . ?
Cl5 C32 H32B 108.4 . . ?
Cl6 C32 H32B 108.4 . . ?
Cl5 C32 H32A 108.4 . . ?
Cl6 C32 H32A 108.4 . . ?
H32B C32 H32A 107.5 . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        27.52
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         0.843
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.094
