# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_sad




_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

       ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         
'(C51 H66 Br3 Ir N6 Rh2), 0.75(C6 H5 Br), (C2 H3 N)'

_chemical_formula_sum            
'C57.50 H72.75 Br3.75 Ir N7 Rh2'

_chemical_formula_weight         1559.66



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'
Br Br -0.2901 2.4595 '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'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting           Orthorhombic

_symmetry_space_group_name_H-M   'P b c a'

_symmetry_space_group_name_Hall  '-P 2ac 2ab'



loop_

_symmetry_equiv_pos_as_xyz








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



_cell_length_a                   22.4122(4)

_cell_length_b                   22.5470(4)

_cell_length_c                   22.8436(4)

_cell_angle_alpha                90.00

_cell_angle_beta                 90.00

_cell_angle_gamma                90.00

_cell_volume                     11543.5(4)

_cell_formula_units_Z            8

_cell_measurement_temperature    153(2)

_cell_measurement_reflns_used    9511

_cell_measurement_theta_min      2.7015

_cell_measurement_theta_max      30.9325



_exptl_crystal_description       prism

_exptl_crystal_colour            orange

_exptl_crystal_size_max          0.32

_exptl_crystal_size_mid          0.32

_exptl_crystal_size_min          0.25

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    1.795

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             6120

_exptl_absorpt_coefficient_mu    5.504

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.2718

_exptl_absorpt_correction_T_max  0.3399

_exptl_absorpt_process_details   
; 

       Multi-scan correction included in APEX2 package (Bruker AXS,
      2012)

;



_exptl_special_details           
;

       ?

;



_diffrn_ambient_temperature      153(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         microsource

_diffrn_radiation_monochromator  'Goebel mirror'

_diffrn_measurement_device_type  'Bruker APEX-II CCD'

_diffrn_measurement_method       '\f and \w scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         ?

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            202471

_diffrn_reflns_av_R_equivalents  0.0789

_diffrn_reflns_av_sigmaI/netI    0.0323

_diffrn_reflns_limit_h_min       -32

_diffrn_reflns_limit_h_max       32

_diffrn_reflns_limit_k_min       -32

_diffrn_reflns_limit_k_max       32

_diffrn_reflns_limit_l_min       -32

_diffrn_reflns_limit_l_max       32

_diffrn_reflns_theta_min         2.70

_diffrn_reflns_theta_max         30.51

_reflns_number_total             17599

_reflns_number_gt                14811

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker APEX2'

_computing_cell_refinement       'Bruker SAINT'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

       Refinement of F^2^ against ALL reflections.  The weighted
      R-factor wR and

       goodness of fit S are based on F^2^, conventional R-factors R are
      based

       on F, with F set to zero for negative F^2^. The threshold
      expression of

       F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt)
      etc. and is

       not relevant to the choice of reflections for refinement. 
      R-factors based

       on F^2^ 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/[\s^2^(Fo^2^)+(0.0333P)^2^+10.6832P] where P=(Fo^2^+2Fc^2^)/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         17599

_refine_ls_number_parameters     698

_refine_ls_number_restraints     73

_refine_ls_R_factor_all          0.0313

_refine_ls_R_factor_gt           0.0238

_refine_ls_wR_factor_ref         0.0675

_refine_ls_wR_factor_gt          0.0658

_refine_ls_goodness_of_fit_ref   1.038

_refine_ls_restrained_S_all      1.047

_refine_ls_shift/su_max          0.014

_refine_ls_shift/su_mean         0.000



loop_

_atom_site_label

_atom_site_type_symbol

_atom_site_fract_x

_atom_site_fract_y

_atom_site_fract_z

_atom_site_U_iso_or_equiv

_atom_site_adp_type

_atom_site_occupancy

_atom_site_symmetry_multiplicity

_atom_site_calc_flag

_atom_site_refinement_flags

_atom_site_disorder_assembly

_atom_site_disorder_group






















































































































































Ir1 Ir 0.5146(2) 0.7626(3) 0.0454(2) 0.0103(3) Uani 0.33 1 d P A 1
Ir2 Ir 0.30194(7) 0.74439(7) 0.21421(8) 0.0181(5) Uani 0.33 1 d P A 1
Ir3 Ir 0.46846(10) 0.95716(7) 0.22681(8) 0.0149(6) Uani 0.33 1 d P A 1
Rh1 Rh 0.5093(2) 0.7645(3) 0.0508(2) 0.0092(3) Uani 0.67 1 d P A 2
Rh2 Rh 0.30198(6) 0.74438(5) 0.21443(6) 0.0071(4) Uani 0.67 1 d P A 2
Rh3 Rh 0.46912(9) 0.95695(7) 0.22667(7) 0.0107(6) Uani 0.67 1 d P A 2
Br1 Br 0.595447(11) 0.710025(12) 0.102532(12) 0.02275(6) Uani 1 1 d . . .
Br2 Br 0.348640(12) 0.666116(12) 0.281604(11) 0.02219(6) Uani 1 1 d . . .
Br3 Br 0.521543(13) 0.924992(13) 0.320663(12) 0.02637(6) Uani 1 1 d . . .
N1 N 0.53837(8) 0.87970(9) 0.15334(8) 0.0132(4) Uani 1 1 d . A .
N2 N 0.59651(9) 0.95081(9) 0.18014(10) 0.0183(4) Uani 1 1 d . A .
N3 N 0.42080(9) 0.70566(8) 0.11608(8) 0.0135(4) Uani 1 1 d . A .
N4 N 0.45445(9) 0.63862(9) 0.05716(9) 0.0178(4) Uani 1 1 d . A .
N5 N 0.36397(9) 0.84271(9) 0.26784(8) 0.0133(4) Uani 1 1 d . A .
N6 N 0.29569(9) 0.81626(9) 0.32883(9) 0.0168(4) Uani 1 1 d . A .
C1 C 0.47343(10) 0.79499(10) 0.12526(10) 0.0126(4) Uani 1 1 d . . .
C2 C 0.48446(10) 0.84590(10) 0.15785(10) 0.0121(4) Uani 1 1 d . A .
C3 C 0.44766(10) 0.86994(10) 0.20244(10) 0.0124(4) Uani 1 1 d . . .
C4 C 0.40017(10) 0.83304(10) 0.21748(9) 0.0118(4) Uani 1 1 d . A .
C5 C 0.38395(10) 0.77938(10) 0.18857(10) 0.0125(4) Uani 1 1 d . . .
C6 C 0.42331(10) 0.76221(10) 0.14485(10) 0.0125(4) Uani 1 1 d . A .
C7 C 0.59372(10) 0.86621(11) 0.13057(11) 0.0177(5) Uani 1 1 d . . .
H7 H 0.6043 0.8324 0.1081 0.021 Uiso 1 1 calc R . .
C8 C 0.62969(11) 0.91138(12) 0.14702(12) 0.0210(5) Uani 1 1 d . . .
H8 H 0.6708 0.9154 0.1375 0.025 Uiso 1 1 calc R . .
C9 C 0.54039(10) 0.93093(10) 0.18456(10) 0.0145(4) Uani 1 1 d . . .
C10 C 0.62026(12) 1.00256(12) 0.21174(14) 0.0273(6) Uani 1 1 d . . .
H10A H 0.5875 1.0225 0.2330 0.033 Uiso 1 1 calc R A .
H10B H 0.6371 1.0312 0.1833 0.033 Uiso 1 1 calc R . .
C11 C 0.66787(18) 0.98424(19) 0.2545(2) 0.0656(14) Uani 1 1 d . A .
H11A H 0.6513 0.9555 0.2823 0.098 Uiso 1 1 calc R . .
H11B H 0.6822 1.0192 0.2758 0.098 Uiso 1 1 calc R . .
H11C H 0.7012 0.9661 0.2332 0.098 Uiso 1 1 calc R . .
C12 C 0.45978(10) 0.69666(11) 0.07168(10) 0.0150(4) Uani 1 1 d . . .
C13 C 0.41346(12) 0.61120(11) 0.09326(11) 0.0201(5) Uani 1 1 d . . .
H13 H 0.4019 0.5707 0.0920 0.024 Uiso 1 1 calc R A .
C14 C 0.39283(11) 0.65276(11) 0.13071(11) 0.0180(5) Uani 1 1 d . A .
H14 H 0.3646 0.6469 0.1612 0.022 Uiso 1 1 calc R . .
C15 C 0.49237(12) 0.60648(12) 0.01583(12) 0.0234(5) Uani 1 1 d . . .
H15A H 0.5211 0.5819 0.0380 0.028 Uiso 1 1 calc R A .
H15B H 0.5155 0.6354 -0.0076 0.028 Uiso 1 1 calc R . .
C16 C 0.45756(7) 0.56727(13) -0.02486(12) 0.0422(8) Uani 1 1 d . A .
H16A H 0.4398 0.5346 -0.0026 0.063 Uiso 1 1 calc R . .
H16B H 0.4843 0.5512 -0.0549 0.063 Uiso 1 1 calc R . .
H16C H 0.4259 0.5904 -0.0436 0.063 Uiso 1 1 calc R . .
C17 C 0.31835(7) 0.80400(7) 0.27560(7) 0.0132(4) Uani 1 1 d R . .
C18 C 0.37139(7) 0.87844(7) 0.31704(7) 0.0185(5) Uani 1 1 d R . .
H18 H 0.4009 0.9082 0.3228 0.022 Uiso 1 1 calc R . .
C19 C 0.32810(11) 0.86220(12) 0.35493(11) 0.0204(5) Uani 1 1 d . A .
H19 H 0.3210 0.8789 0.3925 0.024 Uiso 1 1 calc R . .
C20 C 0.24996(11) 0.78143(12) 0.35871(11) 0.0213(5) Uani 1 1 d . . .
H20A H 0.2332 0.7521 0.3310 0.026 Uiso 1 1 calc R A .
H20B H 0.2172 0.8081 0.3711 0.026 Uiso 1 1 calc R . .
C21 C 0.27412(15) 0.74939(16) 0.41165(13) 0.0350(7) Uani 1 1 d . A .
H21A H 0.3042 0.7205 0.3992 0.053 Uiso 1 1 calc R . .
H21B H 0.2415 0.7288 0.4317 0.053 Uiso 1 1 calc R . .
H21C H 0.2923 0.7781 0.4384 0.053 Uiso 1 1 calc R . .
C30 C 0.46903(11) 0.81624(11) -0.01701(11) 0.0183(5) Uani 1 1 d . . .
C31 C 0.52101(11) 0.85054(11) -0.00098(11) 0.0184(5) Uani 1 1 d . A .
C32 C 0.57104(11) 0.81574(12) -0.01477(11) 0.0193(5) Uani 1 1 d . . .
C33 C 0.55142(11) 0.76078(11) -0.04193(10) 0.0179(5) Uani 1 1 d . A .
C34 C 0.48938(12) 0.76260(12) -0.04659(11) 0.0198(5) Uani 1 1 d . A .
C35 C 0.40689(12) 0.83913(13) -0.01665(13) 0.0272(6) Uani 1 1 d . A .
H35A H 0.4000 0.8618 0.0193 0.041 Uiso 1 1 calc R . .
H35B H 0.3789 0.8058 -0.0184 0.041 Uiso 1 1 calc R . .
H35C H 0.4007 0.8649 -0.0507 0.041 Uiso 1 1 calc R . .
C36 C 0.51847(13) 0.91319(12) 0.02050(12) 0.0255(6) Uani 1 1 d . . .
H36A H 0.5585 0.9260 0.0322 0.038 Uiso 1 1 calc R A .
H36B H 0.4915 0.9156 0.0542 0.038 Uiso 1 1 calc R . .
H36C H 0.5037 0.9390 -0.0108 0.038 Uiso 1 1 calc R . .
C37 C 0.63498(12) 0.83277(14) -0.00924(14) 0.0297(6) Uani 1 1 d . A .
H37A H 0.6381 0.8706 0.0117 0.045 Uiso 1 1 calc R . .
H37B H 0.6525 0.8370 -0.0483 0.045 Uiso 1 1 calc R . .
H37C H 0.6565 0.8020 0.0125 0.045 Uiso 1 1 calc R . .
C38 C 0.59347(13) 0.71478(14) -0.06607(13) 0.0292(6) Uani 1 1 d . . .
H38A H 0.5705 0.6833 -0.0852 0.044 Uiso 1 1 calc R A .
H38B H 0.6170 0.6978 -0.0341 0.044 Uiso 1 1 calc R . .
H38C H 0.6203 0.7333 -0.0946 0.044 Uiso 1 1 calc R . .
C39 C 0.44931(14) 0.72068(14) -0.07849(12) 0.0287(6) Uani 1 1 d . . .
H39A H 0.4321 0.7407 -0.1126 0.043 Uiso 1 1 calc R A .
H39B H 0.4172 0.7077 -0.0523 0.043 Uiso 1 1 calc R . .
H39C H 0.4723 0.6862 -0.0915 0.043 Uiso 1 1 calc R . .
C40 C 0.24117(11) 0.78396(11) 0.15437(11) 0.0197(5) Uani 1 1 d . . .
C41 C 0.26108(11) 0.73023(12) 0.12549(11) 0.0190(5) Uani 1 1 d . A .
C42 C 0.24432(11) 0.68135(11) 0.16006(11) 0.0187(5) Uani 1 1 d . . .
C43 C 0.21060(11) 0.70337(12) 0.21013(11) 0.0186(5) Uani 1 1 d . A .
C44 C 0.20591(11) 0.76564(12) 0.20449(12) 0.0198(5) Uani 1 1 d . A .
C45 C 0.24395(14) 0.84516(13) 0.12872(14) 0.0328(7) Uani 1 1 d . A .
H45A H 0.2841 0.8525 0.1134 0.049 Uiso 1 1 calc R . .
H45B H 0.2347 0.8744 0.1591 0.049 Uiso 1 1 calc R . .
H45C H 0.2149 0.8485 0.0969 0.049 Uiso 1 1 calc R . .
C46 C 0.28903(13) 0.72996(15) 0.06628(12) 0.0305(6) Uani 1 1 d . . .
H46A H 0.3034 0.6900 0.0572 0.046 Uiso 1 1 calc R A .
H46B H 0.3226 0.7578 0.0657 0.046 Uiso 1 1 calc R . .
H46C H 0.2594 0.7419 0.0370 0.046 Uiso 1 1 calc R . .
C47 C 0.25066(13) 0.61657(12) 0.14701(14) 0.0296(6) Uani 1 1 d . A .
H47A H 0.2111 0.5992 0.1409 0.044 Uiso 1 1 calc R . .
H47B H 0.2703 0.5968 0.1800 0.044 Uiso 1 1 calc R . .
H47C H 0.2747 0.6114 0.1116 0.044 Uiso 1 1 calc R . .
C48 C 0.16846(13) 0.80693(14) 0.24014(14) 0.0313(7) Uani 1 1 d . . .
H48A H 0.1500 0.7850 0.2724 0.047 Uiso 1 1 calc R A .
H48B H 0.1373 0.8242 0.2154 0.047 Uiso 1 1 calc R . .
H48C H 0.1936 0.8387 0.2560 0.047 Uiso 1 1 calc R . .
C49 C 0.18374(13) 0.66325(13) 0.25537(13) 0.0285(6) Uani 1 1 d . . .
H49A H 0.1627 0.6871 0.2847 0.043 Uiso 1 1 calc R A .
H49B H 0.2154 0.6403 0.2744 0.043 Uiso 1 1 calc R . .
H49C H 0.1555 0.6361 0.2365 0.043 Uiso 1 1 calc R . .
C50 C 0.41535(11) 1.00825(11) 0.16831(11) 0.0185(5) Uani 1 1 d . . .
C51 C 0.46362(11) 1.04670(11) 0.18588(11) 0.0180(5) Uani 1 1 d . A .
C52 C 0.45986(11) 1.05548(11) 0.24711(11) 0.0182(5) Uani 1 1 d . . .
C53 C 0.40665(11) 1.02529(11) 0.26745(12) 0.0201(5) Uani 1 1 d . A .
C54 C 0.37860(11) 0.99834(11) 0.21945(12) 0.0200(5) Uani 1 1 d . A .
C55 C 0.31942(12) 0.96875(14) 0.21734(15) 0.0312(7) Uani 1 1 d . . .
H55A H 0.3057 0.9607 0.2573 0.047 Uiso 1 1 calc R A .
H55B H 0.3228 0.9313 0.1958 0.047 Uiso 1 1 calc R . .
H55C H 0.2907 0.9947 0.1975 0.047 Uiso 1 1 calc R . .
C56 C 0.39744(14) 0.99419(15) 0.10689(13) 0.0302(6) Uani 1 1 d . A .
H56A H 0.3680 1.0233 0.0935 0.045 Uiso 1 1 calc R . .
H56B H 0.3800 0.9544 0.1054 0.045 Uiso 1 1 calc R . .
H56C H 0.4326 0.9957 0.0815 0.045 Uiso 1 1 calc R . .
C57 C 0.50783(12) 1.07304(13) 0.14430(12) 0.0252(6) Uani 1 1 d . . .
H57A H 0.4874 1.1008 0.1180 0.038 Uiso 1 1 calc R A .
H57B H 0.5264 1.0414 0.1212 0.038 Uiso 1 1 calc R . .
H57C H 0.5386 1.0942 0.1664 0.038 Uiso 1 1 calc R . .
C58 C 0.49837(14) 1.09243(13) 0.28522(13) 0.0284(6) Uani 1 1 d . A .
H58A H 0.5320 1.1077 0.2624 0.043 Uiso 1 1 calc R . .
H58B H 0.5134 1.0683 0.3177 0.043 Uiso 1 1 calc R . .
H58C H 0.4751 1.1257 0.3008 0.043 Uiso 1 1 calc R . .
C59 C 0.38553(15) 1.02949(13) 0.32972(13) 0.0314(6) Uani 1 1 d . . .
H59A H 0.3484 1.0070 0.3342 0.047 Uiso 1 1 calc R A .
H59B H 0.3784 1.0711 0.3398 0.047 Uiso 1 1 calc R . .
H59C H 0.4160 1.0131 0.3558 0.047 Uiso 1 1 calc R . .
Br70 Br 0.63545(2) 0.950843(19) 0.42820(2) 0.04061(11) Uani 0.75 1 d P B 1
C70 C 0.69537(19) 0.95100(17) 0.48688(19) 0.0332(9) Uani 0.75 1 d PDU B 1
C71 C 0.7457(2) 0.9842(3) 0.4787(3) 0.0609(15) Uani 0.75 1 d PDU B 1
H71 H 0.7506 1.0074 0.4443 0.073 Uiso 0.75 1 calc PR B 1
C72 C 0.7920(3) 0.9831(3) 0.5242(3) 0.088(2) Uani 0.75 1 d PDU B 1
H72 H 0.8267 1.0071 0.5217 0.105 Uiso 0.75 1 calc PR B 1
C73 C 0.7820(3) 0.9450(3) 0.5711(3) 0.081(2) Uani 0.75 1 d PDU B 1
H73 H 0.8119 0.9426 0.6005 0.097 Uiso 0.75 1 calc PR B 1
C74 C 0.7343(3) 0.9121(2) 0.5773(2) 0.0586(15) Uani 0.75 1 d PDU B 1
H74 H 0.7302 0.8866 0.6101 0.070 Uiso 0.75 1 calc PR B 1
C75 C 0.6892(2) 0.91533(19) 0.53468(18) 0.0375(10) Uani 0.75 1 d PDU B 1
H75 H 0.6540 0.8923 0.5392 0.045 Uiso 0.75 1 calc PR B 1
N80 N 0.57940(12) 0.81733(12) 0.83557(12) 0.0332(6) Uani 1 1 d . . .
C80 C 0.54984(13) 0.78891(13) 0.80702(13) 0.0265(6) Uani 1 1 d . . .
C81 C 0.51208(17) 0.75154(16) 0.77108(17) 0.0427(8) Uani 1 1 d . . .
H81A H 0.5128 0.7109 0.7863 0.064 Uiso 1 1 calc R . .
H81B H 0.5268 0.7518 0.7307 0.064 Uiso 1 1 calc R . .
H81C H 0.4711 0.7666 0.7720 0.064 Uiso 1 1 calc R . .



loop_

_atom_site_aniso_label

_atom_site_aniso_U_11

_atom_site_aniso_U_22

_atom_site_aniso_U_33

_atom_site_aniso_U_23

_atom_site_aniso_U_13

_atom_site_aniso_U_12












































































Ir1 0.0089(7) 0.0135(4) 0.0084(7) -0.0032(4) 0.0063(4) 0.0010(4)
Ir2 0.0081(8) 0.0247(8) 0.0215(9) 0.0003(6) -0.0022(5) -0.0021(5)
Ir3 0.0176(10) 0.0050(7) 0.0222(10) -0.0010(5) -0.0002(7) 0.0009(6)
Rh1 0.0082(7) 0.0119(4) 0.0074(7) -0.0027(4) 0.0064(4) 0.0011(4)
Rh2 0.0143(8) 0.0021(5) 0.0049(6) 0.0017(4) 0.0029(4) -0.0010(4)
Rh3 0.0087(8) 0.0173(9) 0.0062(7) -0.0021(5) 0.0007(5) -0.0029(5)
Br1 0.02050(12) 0.02170(13) 0.02605(13) 0.00017(10) -0.00398(10) 0.00345(9)
Br2 0.02433(12) 0.02067(13) 0.02156(12) 0.00615(9) 0.00049(10) 0.00571(10)
Br3 0.02912(14) 0.02941(15) 0.02059(13) 0.00217(10) -0.00826(10) -0.00135(11)
N1 0.0107(8) 0.0131(9) 0.0157(9) -0.0012(7) 0.0015(7) -0.0014(7)
N2 0.0118(9) 0.0163(10) 0.0269(11) -0.0039(8) 0.0001(8) -0.0033(7)
N3 0.0138(9) 0.0117(9) 0.0149(9) -0.0025(7) 0.0012(7) -0.0011(7)
N4 0.0206(10) 0.0155(10) 0.0174(10) -0.0043(8) 0.0034(8) -0.0006(8)
N5 0.0148(9) 0.0132(9) 0.0119(9) -0.0011(7) 0.0010(7) -0.0008(7)
N6 0.0157(9) 0.0209(10) 0.0136(9) -0.0004(8) 0.0035(7) -0.0010(8)
C1 0.0126(10) 0.0127(10) 0.0124(10) 0.0003(8) 0.0000(8) 0.0010(8)
C2 0.0114(9) 0.0126(10) 0.0125(10) 0.0003(8) 0.0007(8) -0.0021(8)
C3 0.0130(10) 0.0126(10) 0.0115(10) 0.0001(8) -0.0003(8) -0.0002(8)
C4 0.0118(9) 0.0125(10) 0.0110(10) -0.0007(8) 0.0008(8) 0.0004(8)
C5 0.0126(10) 0.0116(10) 0.0134(10) 0.0019(8) 0.0006(8) 0.0000(8)
C6 0.0141(10) 0.0122(10) 0.0112(10) -0.0018(8) -0.0010(8) -0.0013(8)
C7 0.0124(10) 0.0184(12) 0.0223(12) -0.0035(9) 0.0019(9) -0.0004(9)
C8 0.0123(10) 0.0220(12) 0.0285(13) -0.0023(10) 0.0035(9) -0.0016(9)
C9 0.0122(10) 0.0146(11) 0.0167(11) -0.0002(8) -0.0011(8) -0.0018(8)
C10 0.0199(12) 0.0202(13) 0.0420(17) -0.0099(12) 0.0001(11) -0.0070(10)
C11 0.044(2) 0.050(2) 0.103(4) -0.043(2) -0.046(2) 0.0117(18)
C12 0.0154(10) 0.0154(11) 0.0143(10) -0.0017(8) 0.0007(8) -0.0001(8)
C13 0.0251(12) 0.0125(11) 0.0227(12) -0.0021(9) 0.0033(10) -0.0029(9)
C14 0.0192(11) 0.0148(11) 0.0199(12) 0.0002(9) 0.0038(9) -0.0028(9)
C15 0.0299(13) 0.0179(12) 0.0224(13) -0.0060(10) 0.0082(11) 0.0014(10)
C16 0.058(2) 0.0333(18) 0.0355(18) -0.0117(14) 0.0091(16) -0.0054(16)
C17 0.0119(10) 0.0144(10) 0.0132(10) 0.0019(8) 0.0006(8) 0.0009(8)
C18 0.0219(12) 0.0185(12) 0.0152(11) -0.0037(9) 0.0025(9) -0.0034(9)
C19 0.0247(12) 0.0224(13) 0.0141(11) -0.0051(9) 0.0045(9) -0.0021(10)
C20 0.0173(11) 0.0276(13) 0.0189(12) 0.0017(10) 0.0068(9) -0.0030(10)
C21 0.0366(16) 0.049(2) 0.0192(13) 0.0090(13) 0.0008(12) -0.0139(14)
C30 0.0190(11) 0.0213(12) 0.0145(11) 0.0022(9) 0.0003(9) 0.0026(9)
C31 0.0226(12) 0.0173(11) 0.0153(11) 0.0031(9) 0.0036(9) 0.0001(9)
C32 0.0187(11) 0.0226(12) 0.0166(11) 0.0024(9) 0.0064(9) -0.0015(9)
C33 0.0190(11) 0.0208(12) 0.0137(11) 0.0002(9) 0.0048(9) 0.0035(9)
C34 0.0246(13) 0.0217(13) 0.0130(11) 0.0011(9) 0.0012(9) 0.0004(10)
C35 0.0209(12) 0.0314(15) 0.0294(14) 0.0027(12) -0.0006(11) 0.0057(11)
C36 0.0357(15) 0.0188(13) 0.0219(13) 0.0015(10) 0.0020(11) 0.0003(11)
C37 0.0202(13) 0.0367(17) 0.0323(15) 0.0016(12) 0.0094(11) -0.0046(11)
C38 0.0330(15) 0.0313(15) 0.0232(13) -0.0008(11) 0.0124(12) 0.0107(12)
C39 0.0362(15) 0.0309(15) 0.0190(13) -0.0064(11) -0.0068(11) -0.0010(12)
C40 0.0183(11) 0.0185(12) 0.0223(12) 0.0052(10) -0.0085(9) -0.0031(9)
C41 0.0160(11) 0.0257(13) 0.0152(11) 0.0004(9) -0.0041(9) -0.0053(9)
C42 0.0166(11) 0.0178(11) 0.0218(12) -0.0007(9) -0.0044(9) -0.0039(9)
C43 0.0127(10) 0.0224(12) 0.0206(12) 0.0029(9) -0.0009(9) -0.0048(9)
C44 0.0128(11) 0.0234(13) 0.0230(12) -0.0024(10) -0.0047(9) 0.0005(9)
C45 0.0361(16) 0.0230(14) 0.0392(17) 0.0135(12) -0.0159(13) -0.0054(12)
C46 0.0280(14) 0.0490(19) 0.0145(12) 0.0029(12) -0.0020(11) -0.0038(13)
C47 0.0276(14) 0.0197(13) 0.0416(17) -0.0069(12) -0.0046(13) -0.0056(11)
C48 0.0193(13) 0.0375(17) 0.0372(16) -0.0072(13) -0.0033(11) 0.0102(12)
C49 0.0219(13) 0.0349(16) 0.0286(14) 0.0106(12) 0.0011(11) -0.0113(11)
C50 0.0194(11) 0.0163(11) 0.0197(12) 0.0007(9) -0.0010(9) 0.0039(9)
C51 0.0208(11) 0.0133(11) 0.0198(12) 0.0018(9) 0.0011(9) 0.0039(9)
C52 0.0232(12) 0.0115(10) 0.0199(12) -0.0013(9) 0.0017(9) 0.0019(9)
C53 0.0213(12) 0.0165(12) 0.0227(12) -0.0002(9) 0.0069(10) 0.0052(9)
C54 0.0151(11) 0.0168(12) 0.0281(13) 0.0019(10) 0.0022(9) 0.0043(9)
C55 0.0154(12) 0.0286(15) 0.0497(19) 0.0082(13) -0.0018(12) 0.0023(11)
C56 0.0301(15) 0.0365(17) 0.0240(14) -0.0034(12) -0.0094(11) 0.0079(12)
C57 0.0275(13) 0.0221(13) 0.0260(14) 0.0054(11) 0.0070(11) -0.0002(11)
C58 0.0374(16) 0.0200(13) 0.0277(14) -0.0081(11) -0.0003(12) -0.0047(11)
C59 0.0435(17) 0.0242(14) 0.0264(14) -0.0038(11) 0.0150(13) 0.0045(12)
Br70 0.0451(2) 0.0274(2) 0.0494(3) -0.00535(18) -0.0041(2) 0.01513(18)
C70 0.042(2) 0.0215(18) 0.036(2) -0.0024(16) 0.0128(18) 0.0066(16)
C71 0.059(3) 0.053(3) 0.070(4) 0.007(3) 0.016(3) -0.023(3)
C72 0.089(5) 0.083(5) 0.092(5) -0.003(4) 0.042(4) -0.020(4)
C73 0.062(4) 0.119(6) 0.062(4) -0.042(3) -0.028(3) 0.038(3)
C74 0.093(4) 0.043(3) 0.040(3) 0.001(2) 0.033(3) 0.024(3)
C75 0.057(3) 0.025(2) 0.031(2) 0.0021(16) 0.0202(19) 0.0039(19)
N80 0.0339(14) 0.0352(14) 0.0305(13) -0.0007(11) -0.0002(11) 0.0027(11)
C80 0.0266(13) 0.0273(14) 0.0256(14) 0.0018(11) 0.0021(11) 0.0037(11)
C81 0.0428(19) 0.0375(19) 0.048(2) -0.0047(15) -0.0148(16) -0.0021(15)



_geom_special_details            
;

       All esds (except the esd in the dihedral angle between two l.s.
      planes)

       are estimated using the full covariance matrix.  The cell esds
      are taken

       into account individually in the estimation of esds in distances,
      angles

       and torsion angles; correlations between esds in cell parameters
      are only

       used when they are defined by crystal symmetry.  An approximate
      (isotropic)

       treatment of cell esds is used for estimating esds involving l.s.
      planes.

;



loop_

_geom_bond_atom_site_label_1

_geom_bond_atom_site_label_2

_geom_bond_distance

_geom_bond_site_symmetry_2

_geom_bond_publ_flag





















































































































Ir1 C12 2.020(6) . ?
Ir1 C30 2.130(6) . ?
Ir1 C33 2.158(5) . ?
Ir1 C1 2.172(5) . ?
Ir1 C34 2.175(6) . ?
Ir1 C32 2.218(6) . ?
Ir1 C31 2.253(7) . ?
Ir1 Br1 2.528(6) . ?
Ir2 C17 1.977(2) . ?
Ir2 C5 2.084(3) . ?
Ir2 C40 2.126(3) . ?
Ir2 C44 2.216(3) . ?
Ir2 C41 2.247(3) . ?
Ir2 C43 2.248(3) . ?
Ir2 C42 2.284(3) . ?
Ir2 Br2 2.5652(16) . ?
Ir3 C9 1.970(3) . ?
Ir3 C3 2.096(3) . ?
Ir3 C50 2.128(3) . ?
Ir3 C54 2.224(3) . ?
Ir3 C51 2.228(3) . ?
Ir3 C53 2.267(3) . ?
Ir3 C52 2.273(3) . ?
Ir3 Br3 2.5568(19) . ?
Rh1 C12 1.949(6) . ?
Rh1 C1 2.003(5) . ?
Rh1 C30 2.140(6) . ?
Rh1 C34 2.270(6) . ?
Rh1 C31 2.288(6) . ?
Rh1 C33 2.321(5) . ?
Rh1 C32 2.344(6) . ?
Rh1 Br1 2.575(6) . ?
Rh2 C17 1.973(2) . ?
Rh2 C5 2.085(3) . ?
Rh2 C40 2.130(3) . ?
Rh2 C44 2.218(3) . ?
Rh2 C43 2.249(3) . ?
Rh2 C41 2.252(3) . ?
Rh2 C42 2.287(3) . ?
Rh2 Br2 2.5617(13) . ?
Rh3 C9 1.955(3) . ?
Rh3 C3 2.094(3) . ?
Rh3 C50 2.137(3) . ?
Rh3 C51 2.231(3) . ?
Rh3 C54 2.239(3) . ?
Rh3 C52 2.280(3) . ?
Rh3 C53 2.281(3) . ?
Rh3 Br3 2.5513(17) . ?
N1 C9 1.358(3) . ?
N1 C7 1.379(3) . ?
N1 C2 1.432(3) . ?
N2 C9 1.339(3) . ?
N2 C8 1.384(3) . ?
N2 C10 1.472(3) . ?
N3 C12 1.354(3) . ?
N3 C14 1.388(3) . ?
N3 C6 1.436(3) . ?
N4 C12 1.355(3) . ?
N4 C13 1.381(3) . ?
N4 C15 1.462(3) . ?
N5 C17 1.356(2) . ?
N5 C18 1.393(2) . ?
N5 C4 1.425(3) . ?
N6 C17 1.346(2) . ?
N6 C19 1.399(3) . ?
N6 C20 1.460(3) . ?
C1 C2 1.390(3) . ?
C1 C6 1.417(3) . ?
C2 C3 1.418(3) . ?
C3 C4 1.394(3) . ?
C4 C5 1.426(3) . ?
C5 C6 1.388(3) . ?
C7 C8 1.352(3) . ?
C10 C11 1.504(5) . ?
C13 C14 1.350(3) . ?
C15 C16 1.501(3) . ?
C18 C19 1.351(3) . ?
C20 C21 1.509(4) . ?
C30 C31 1.445(4) . ?
C30 C34 1.459(4) . ?
C30 C35 1.485(3) . ?
C31 C32 1.404(3) . ?
C31 C36 1.496(4) . ?
C32 C33 1.454(4) . ?
C32 C37 1.489(4) . ?
C33 C34 1.395(4) . ?
C33 C38 1.506(4) . ?
C34 C39 1.493(4) . ?
C40 C41 1.450(4) . ?
C40 C44 1.451(4) . ?
C40 C45 1.500(4) . ?
C41 C42 1.407(3) . ?
C41 C46 1.491(4) . ?
C42 C43 1.458(4) . ?
C42 C47 1.497(4) . ?
C43 C44 1.414(4) . ?
C43 C49 1.500(4) . ?
C44 C48 1.495(4) . ?
C50 C51 1.443(4) . ?
C50 C54 1.447(4) . ?
C50 C56 1.493(4) . ?
C51 C52 1.415(4) . ?
C51 C57 1.496(4) . ?
C52 C53 1.450(4) . ?
C52 C58 1.482(4) . ?
C53 C54 1.402(4) . ?
C53 C59 1.502(4) . ?
C54 C55 1.485(4) . ?
Br70 C70 1.897(5) . ?
C70 C75 1.363(5) . ?
C70 C71 1.366(6) . ?
C71 C72 1.469(8) . ?
C72 C73 1.392(8) . ?
C73 C74 1.309(8) . ?
C74 C75 1.405(7) . ?
N80 C80 1.129(4) . ?
C80 C81 1.449(4) . ?



loop_

_geom_angle_atom_site_label_1

_geom_angle_atom_site_label_2

_geom_angle_atom_site_label_3

_geom_angle

_geom_angle_site_symmetry_1

_geom_angle_site_symmetry_3

_geom_angle_publ_flag


















































































































































































































































































































































































































C12 Ir1 C30 109.0(3) . . ?
C12 Ir1 C33 119.6(3) . . ?
C30 Ir1 C33 64.91(18) . . ?
C12 Ir1 C1 74.86(18) . . ?
C30 Ir1 C1 99.6(2) . . ?
C33 Ir1 C1 160.9(3) . . ?
C12 Ir1 C34 97.4(3) . . ?
C30 Ir1 C34 39.59(14) . . ?
C33 Ir1 C34 37.56(13) . . ?
C1 Ir1 C34 134.5(3) . . ?
C12 Ir1 C32 158.2(3) . . ?
C30 Ir1 C32 63.41(19) . . ?
C33 Ir1 C32 38.77(13) . . ?
C1 Ir1 C32 125.5(3) . . ?
C34 Ir1 C32 63.28(17) . . ?
C12 Ir1 C31 145.7(3) . . ?
C30 Ir1 C31 38.38(14) . . ?
C33 Ir1 C31 63.78(18) . . ?
C1 Ir1 C31 97.2(2) . . ?
C34 Ir1 C31 64.06(19) . . ?
C32 Ir1 C31 36.60(13) . . ?
C12 Ir1 Br1 86.4(2) . . ?
C30 Ir1 Br1 162.8(2) . . ?
C33 Ir1 Br1 101.23(19) . . ?
C1 Ir1 Br1 91.6(2) . . ?
C34 Ir1 Br1 133.3(2) . . ?
C32 Ir1 Br1 99.5(2) . . ?
C31 Ir1 Br1 127.6(2) . . ?
C17 Ir2 C5 77.17(9) . . ?
C17 Ir2 C40 106.87(11) . . ?
C5 Ir2 C40 103.02(11) . . ?
C17 Ir2 C44 96.02(11) . . ?
C5 Ir2 C44 138.28(12) . . ?
C40 Ir2 C44 38.98(10) . . ?
C17 Ir2 C41 144.33(12) . . ?
C5 Ir2 C41 99.19(11) . . ?
C40 Ir2 C41 38.60(10) . . ?
C44 Ir2 C41 62.90(10) . . ?
C17 Ir2 C43 118.59(11) . . ?
C5 Ir2 C43 161.26(13) . . ?
C40 Ir2 C43 64.06(10) . . ?
C44 Ir2 C43 36.92(10) . . ?
C41 Ir2 C43 62.16(10) . . ?
C17 Ir2 C42 155.83(12) . . ?
C5 Ir2 C42 125.58(12) . . ?
C40 Ir2 C42 63.30(10) . . ?
C44 Ir2 C42 62.05(10) . . ?
C41 Ir2 C42 36.16(9) . . ?
C43 Ir2 C42 37.52(9) . . ?
C17 Ir2 Br2 88.06(8) . . ?
C5 Ir2 Br2 93.97(8) . . ?
C40 Ir2 Br2 159.39(10) . . ?
C44 Ir2 Br2 127.24(10) . . ?
C41 Ir2 Br2 127.58(10) . . ?
C43 Ir2 Br2 96.51(8) . . ?
C42 Ir2 Br2 97.32(8) . . ?
C9 Ir3 C3 76.72(11) . . ?
C9 Ir3 C50 108.21(13) . . ?
C3 Ir3 C50 102.50(12) . . ?
C9 Ir3 C54 146.03(14) . . ?
C3 Ir3 C54 99.79(13) . . ?
C50 Ir3 C54 38.75(10) . . ?
C9 Ir3 C51 96.10(12) . . ?
C3 Ir3 C51 136.71(13) . . ?
C50 Ir3 C51 38.62(10) . . ?
C54 Ir3 C51 62.99(10) . . ?
C9 Ir3 C53 154.70(13) . . ?
C3 Ir3 C53 127.47(14) . . ?
C50 Ir3 C53 63.17(11) . . ?
C54 Ir3 C53 36.37(10) . . ?
C51 Ir3 C53 61.84(10) . . ?
C9 Ir3 C52 117.52(13) . . ?
C3 Ir3 C52 161.84(14) . . ?
C50 Ir3 C52 63.43(10) . . ?
C54 Ir3 C52 62.06(10) . . ?
C51 Ir3 C52 36.63(9) . . ?
C53 Ir3 C52 37.24(9) . . ?
C9 Ir3 Br3 86.84(10) . . ?
C3 Ir3 Br3 93.45(8) . . ?
C50 Ir3 Br3 160.09(11) . . ?
C54 Ir3 Br3 127.09(11) . . ?
C51 Ir3 Br3 129.18(10) . . ?
C53 Ir3 Br3 97.66(10) . . ?
C52 Ir3 Br3 98.34(9) . . ?
C12 Rh1 C1 80.38(19) . . ?
C12 Rh1 C30 111.4(3) . . ?
C1 Rh1 C30 104.9(2) . . ?
C12 Rh1 C34 96.5(3) . . ?
C1 Rh1 C34 139.4(3) . . ?
C30 Rh1 C34 38.49(13) . . ?
C12 Rh1 C31 149.0(3) . . ?
C1 Rh1 C31 101.2(2) . . ?
C30 Rh1 C31 37.92(14) . . ?
C34 Rh1 C31 62.06(17) . . ?
C12 Rh1 C33 115.3(3) . . ?
C1 Rh1 C33 161.9(3) . . ?
C30 Rh1 C33 61.97(16) . . ?
C34 Rh1 C33 35.37(12) . . ?
C31 Rh1 C33 60.78(16) . . ?
C12 Rh1 C32 151.6(3) . . ?
C1 Rh1 C32 127.6(3) . . ?
C30 Rh1 C32 61.13(17) . . ?
C34 Rh1 C32 59.93(15) . . ?
C31 Rh1 C32 35.27(12) . . ?
C33 Rh1 C32 36.32(11) . . ?
C12 Rh1 Br1 86.6(2) . . ?
C1 Rh1 Br1 94.3(2) . . ?
C30 Rh1 Br1 155.3(2) . . ?
C34 Rh1 Br1 126.1(2) . . ?
C31 Rh1 Br1 123.8(2) . . ?
C33 Rh1 Br1 95.57(17) . . ?
C32 Rh1 Br1 94.94(18) . . ?
C17 Rh2 C5 77.23(9) . . ?
C17 Rh2 C40 106.85(10) . . ?
C5 Rh2 C40 102.87(10) . . ?
C17 Rh2 C44 96.08(10) . . ?
C5 Rh2 C44 138.14(11) . . ?
C40 Rh2 C44 38.93(10) . . ?
C17 Rh2 C43 118.70(10) . . ?
C5 Rh2 C43 161.01(11) . . ?
C40 Rh2 C43 63.99(10) . . ?
C44 Rh2 C43 36.90(10) . . ?
C17 Rh2 C41 144.21(10) . . ?
C5 Rh2 C41 99.02(10) . . ?
C40 Rh2 C41 38.52(10) . . ?
C44 Rh2 C41 62.80(10) . . ?
C43 Rh2 C41 62.07(10) . . ?
C17 Rh2 C42 155.89(11) . . ?
C5 Rh2 C42 125.39(11) . . ?
C40 Rh2 C42 63.20(10) . . ?
C44 Rh2 C42 61.98(10) . . ?
C43 Rh2 C42 37.48(9) . . ?
C41 Rh2 C42 36.10(9) . . ?
C17 Rh2 Br2 88.23(7) . . ?
C5 Rh2 Br2 94.06(8) . . ?
C40 Rh2 Br2 159.35(9) . . ?
C44 Rh2 Br2 127.35(9) . . ?
C43 Rh2 Br2 96.59(8) . . ?
C41 Rh2 Br2 127.52(8) . . ?
C42 Rh2 Br2 97.34(7) . . ?
C9 Rh3 C3 77.09(11) . . ?
C9 Rh3 C50 108.43(12) . . ?
C3 Rh3 C50 102.27(12) . . ?
C9 Rh3 C51 96.42(12) . . ?
C3 Rh3 C51 136.59(12) . . ?
C50 Rh3 C51 38.51(10) . . ?
C9 Rh3 C54 146.02(13) . . ?
C3 Rh3 C54 99.37(12) . . ?
C50 Rh3 C54 38.52(10) . . ?
C51 Rh3 C54 62.69(10) . . ?
C9 Rh3 C52 117.88(13) . . ?
C3 Rh3 C52 161.10(13) . . ?
C50 Rh3 C52 63.19(10) . . ?
C51 Rh3 C52 36.55(9) . . ?
C54 Rh3 C52 61.73(10) . . ?
C9 Rh3 C53 154.87(13) . . ?
C3 Rh3 C53 126.85(13) . . ?
C50 Rh3 C53 62.80(11) . . ?
C51 Rh3 C53 61.57(10) . . ?
C54 Rh3 C53 36.13(10) . . ?
C52 Rh3 C53 37.07(9) . . ?
C9 Rh3 Br3 87.31(9) . . ?
C3 Rh3 Br3 93.65(8) . . ?
C50 Rh3 Br3 159.63(10) . . ?
C51 Rh3 Br3 129.27(10) . . ?
C54 Rh3 Br3 126.65(10) . . ?
C52 Rh3 Br3 98.33(9) . . ?
C53 Rh3 Br3 97.46(9) . . ?
Ir1 Br1 Rh1 3.84(19) . . ?
Rh2 Br2 Ir2 0.08(8) . . ?
Rh3 Br3 Ir3 0.33(9) . . ?
C9 N1 C7 110.84(19) . . ?
C9 N1 C2 116.29(19) . . ?
C7 N1 C2 131.9(2) . . ?
C9 N2 C8 109.3(2) . . ?
C9 N2 C10 124.6(2) . . ?
C8 N2 C10 125.7(2) . . ?
C12 N3 C14 110.06(19) . . ?
C12 N3 C6 116.79(19) . . ?
C14 N3 C6 132.1(2) . . ?
C12 N4 C13 110.2(2) . . ?
C12 N4 C15 125.8(2) . . ?
C13 N4 C15 123.4(2) . . ?
C17 N5 C18 110.91(17) . . ?
C17 N5 C4 115.88(17) . . ?
C18 N5 C4 132.23(18) . . ?
C17 N6 C19 109.95(18) . . ?
C17 N6 C20 125.2(2) . . ?
C19 N6 C20 124.3(2) . . ?
C2 C1 C6 113.7(2) . . ?
C2 C1 Rh1 131.8(2) . . ?
C6 C1 Rh1 114.0(2) . . ?
C2 C1 Ir1 130.7(2) . . ?
C6 C1 Ir1 115.3(2) . . ?
Rh1 C1 Ir1 1.5(3) . . ?
C1 C2 C3 126.6(2) . . ?
C1 C2 N1 123.4(2) . . ?
C3 C2 N1 109.81(19) . . ?
C4 C3 C2 113.1(2) . . ?
C4 C3 Rh3 132.01(17) . . ?
C2 C3 Rh3 114.47(16) . . ?
C4 C3 Ir3 131.62(18) . . ?
C2 C3 Ir3 114.83(17) . . ?
Rh3 C3 Ir3 0.43(11) . . ?
C3 C4 N5 122.9(2) . . ?
C3 C4 C5 126.0(2) . . ?
N5 C4 C5 111.02(19) . . ?
C6 C5 C4 114.1(2) . . ?
C6 C5 Ir2 131.10(18) . . ?
C4 C5 Ir2 114.58(16) . . ?
C6 C5 Rh2 131.19(17) . . ?
C4 C5 Rh2 114.50(16) . . ?
Ir2 C5 Rh2 0.14(9) . . ?
C5 C6 C1 125.9(2) . . ?
C5 C6 N3 123.5(2) . . ?
C1 C6 N3 110.47(19) . . ?
C8 C7 N1 105.4(2) . . ?
C7 C8 N2 108.4(2) . . ?
N2 C9 N1 106.0(2) . . ?
N2 C9 Rh3 134.77(19) . . ?
N1 C9 Rh3 119.10(17) . . ?
N2 C9 Ir3 134.85(19) . . ?
N1 C9 Ir3 119.03(17) . . ?
Rh3 C9 Ir3 0.14(11) . . ?
N2 C10 C11 110.9(3) . . ?
N3 C12 N4 105.7(2) . . ?
N3 C12 Rh1 115.7(2) . . ?
N4 C12 Rh1 138.4(2) . . ?
N3 C12 Ir1 120.4(2) . . ?
N4 C12 Ir1 133.7(2) . . ?
Rh1 C12 Ir1 4.7(3) . . ?
C14 C13 N4 107.2(2) . . ?
C13 C14 N3 106.8(2) . . ?
N4 C15 C16 112.9(2) . . ?
N6 C17 N5 105.69(16) . . ?
N6 C17 Rh2 135.17(14) . . ?
N5 C17 Rh2 119.08(13) . . ?
N6 C17 Ir2 135.23(14) . . ?
N5 C17 Ir2 119.02(13) . . ?
Rh2 C17 Ir2 0.10(9) . . ?
C19 C18 N5 105.93(17) . . ?
C18 C19 N6 107.49(19) . . ?
N6 C20 C21 112.3(2) . . ?
C31 C30 C34 108.0(2) . . ?
C31 C30 C35 124.6(2) . . ?
C34 C30 C35 125.7(2) . . ?
C31 C30 Ir1 75.4(2) . . ?
C34 C30 Ir1 71.87(19) . . ?
C35 C30 Ir1 130.0(2) . . ?
C31 C30 Rh1 76.6(2) . . ?
C34 C30 Rh1 75.59(19) . . ?
C35 C30 Rh1 125.5(2) . . ?
Ir1 C30 Rh1 4.8(2) . . ?
C32 C31 C30 106.7(2) . . ?
C32 C31 C36 129.1(2) . . ?
C30 C31 C36 123.9(2) . . ?
C32 C31 Ir1 70.38(18) . . ?
C30 C31 Ir1 66.2(2) . . ?
C36 C31 Ir1 132.4(2) . . ?
C32 C31 Rh1 74.54(18) . . ?
C30 C31 Rh1 65.48(19) . . ?
C36 C31 Rh1 128.8(2) . . ?
Ir1 C31 Rh1 4.4(2) . . ?
C31 C32 C33 109.3(2) . . ?
C31 C32 C37 127.3(2) . . ?
C33 C32 C37 123.2(2) . . ?
C31 C32 Ir1 73.0(2) . . ?
C33 C32 Ir1 68.37(19) . . ?
C37 C32 Ir1 129.4(2) . . ?
C31 C32 Rh1 70.18(19) . . ?
C33 C32 Rh1 70.97(19) . . ?
C37 C32 Rh1 129.9(2) . . ?
Ir1 C32 Rh1 3.2(3) . . ?
C34 C33 C32 108.0(2) . . ?
C34 C33 C38 128.0(2) . . ?
C32 C33 C38 123.6(2) . . ?
C34 C33 Ir1 71.9(2) . . ?
C32 C33 Ir1 72.9(2) . . ?
C38 C33 Ir1 126.2(2) . . ?
C34 C33 Rh1 70.33(19) . . ?
C32 C33 Rh1 72.7(2) . . ?
C38 C33 Rh1 127.8(2) . . ?
Ir1 C33 Rh1 1.8(3) . . ?
C33 C34 C30 107.5(2) . . ?
C33 C34 C39 128.2(2) . . ?
C30 C34 C39 124.2(2) . . ?
C33 C34 Ir1 70.55(19) . . ?
C30 C34 Ir1 68.5(2) . . ?
C39 C34 Ir1 128.9(2) . . ?
C33 C34 Rh1 74.30(19) . . ?
C30 C34 Rh1 65.92(19) . . ?
C39 C34 Rh1 127.5(2) . . ?
Ir1 C34 Rh1 3.9(2) . . ?
C41 C40 C44 106.8(2) . . ?
C41 C40 C45 125.3(3) . . ?
C44 C40 C45 126.3(3) . . ?
C41 C40 Ir2 75.22(15) . . ?
C44 C40 Ir2 73.87(15) . . ?
C45 C40 Ir2 127.62(19) . . ?
C41 C40 Rh2 75.29(14) . . ?
C44 C40 Rh2 73.80(14) . . ?
C45 C40 Rh2 127.61(19) . . ?
Ir2 C40 Rh2 0.09(10) . . ?
C42 C41 C40 108.5(2) . . ?
C42 C41 C46 128.2(3) . . ?
C40 C41 C46 123.1(2) . . ?
C42 C41 Ir2 73.37(15) . . ?
C40 C41 Ir2 66.18(14) . . ?
C46 C41 Ir2 130.37(18) . . ?
C42 C41 Rh2 73.33(14) . . ?
C40 C41 Rh2 66.19(13) . . ?
C46 C41 Rh2 130.41(18) . . ?
Ir2 C41 Rh2 0.04(9) . . ?
C41 C42 C43 108.2(2) . . ?
C41 C42 C47 128.8(3) . . ?
C43 C42 C47 122.5(2) . . ?
C41 C42 Ir2 70.47(14) . . ?
C43 C42 Ir2 69.90(14) . . ?
C47 C42 Ir2 131.39(19) . . ?
C41 C42 Rh2 70.56(14) . . ?
C43 C42 Rh2 69.84(14) . . ?
C47 C42 Rh2 131.35(19) . . ?
Ir2 C42 Rh2 0.10(8) . . ?
C44 C43 C42 107.8(2) . . ?
C44 C43 C49 129.2(2) . . ?
C42 C43 C49 122.9(2) . . ?
C44 C43 Ir2 70.30(14) . . ?
C42 C43 Ir2 72.58(14) . . ?
C49 C43 Ir2 125.81(18) . . ?
C44 C43 Rh2 70.33(14) . . ?
C42 C43 Rh2 72.68(14) . . ?
C49 C43 Rh2 125.69(18) . . ?
Ir2 C43 Rh2 0.13(8) . . ?
C43 C44 C40 108.3(2) . . ?
C43 C44 C48 127.6(3) . . ?
C40 C44 C48 123.9(3) . . ?
C43 C44 Ir2 72.78(14) . . ?
C40 C44 Ir2 67.15(14) . . ?
C48 C44 Ir2 128.71(19) . . ?
C43 C44 Rh2 72.77(14) . . ?
C40 C44 Rh2 67.27(14) . . ?
C48 C44 Rh2 128.61(19) . . ?
Ir2 C44 Rh2 0.12(9) . . ?
C51 C50 C54 107.2(2) . . ?
C51 C50 C56 126.2(2) . . ?
C54 C50 C56 124.9(2) . . ?
C51 C50 Ir3 74.41(15) . . ?
C54 C50 Ir3 74.21(15) . . ?
C56 C50 Ir3 128.71(19) . . ?
C51 C50 Rh3 74.27(15) . . ?
C54 C50 Rh3 74.56(15) . . ?
C56 C50 Rh3 128.52(19) . . ?
Ir3 C50 Rh3 0.35(10) . . ?
C52 C51 C50 108.3(2) . . ?
C52 C51 C57 127.7(2) . . ?
C50 C51 C57 124.0(2) . . ?
C52 C51 Ir3 73.44(15) . . ?
C50 C51 Ir3 66.98(14) . . ?
C57 C51 Ir3 126.46(18) . . ?
C52 C51 Rh3 73.59(14) . . ?
C50 C51 Rh3 67.22(14) . . ?
C57 C51 Rh3 126.08(18) . . ?
Ir3 C51 Rh3 0.40(11) . . ?
C51 C52 C53 107.5(2) . . ?
C51 C52 C58 128.6(2) . . ?
C53 C52 C58 123.7(2) . . ?
C51 C52 Ir3 69.93(14) . . ?
C53 C52 Ir3 71.17(15) . . ?
C58 C52 Ir3 128.2(2) . . ?
C51 C52 Rh3 69.86(14) . . ?
C53 C52 Rh3 71.51(15) . . ?
C58 C52 Rh3 127.95(19) . . ?
Ir3 C52 Rh3 0.36(10) . . ?
C54 C53 C52 108.8(2) . . ?
C54 C53 C59 128.8(3) . . ?
C52 C53 C59 122.2(3) . . ?
C54 C53 Ir3 70.14(15) . . ?
C52 C53 Ir3 71.59(14) . . ?
C59 C53 Ir3 128.5(2) . . ?
C54 C53 Rh3 70.32(15) . . ?
C52 C53 Rh3 71.41(14) . . ?
C59 C53 Rh3 128.51(19) . . ?
Ir3 C53 Rh3 0.21(11) . . ?
C53 C54 C50 108.0(2) . . ?
C53 C54 C55 128.3(3) . . ?
C50 C54 C55 123.5(3) . . ?
C53 C54 Ir3 73.49(15) . . ?
C50 C54 Ir3 67.04(14) . . ?
C55 C54 Ir3 128.57(19) . . ?
C53 C54 Rh3 73.55(15) . . ?
C50 C54 Rh3 66.92(14) . . ?
C55 C54 Rh3 128.62(19) . . ?
Ir3 C54 Rh3 0.12(10) . . ?
C75 C70 C71 121.1(5) . . ?
C75 C70 Br70 119.5(3) . . ?
C71 C70 Br70 119.2(4) . . ?
C70 C71 C72 118.5(5) . . ?
C73 C72 C71 116.2(6) . . ?
C74 C73 C72 124.3(6) . . ?
C73 C74 C75 118.9(5) . . ?
C70 C75 C74 120.8(5) . . ?
N80 C80 C81 179.0(4) . . ?



_diffrn_measured_fraction_theta_max 0.999

_diffrn_reflns_theta_full        27.50

_diffrn_measured_fraction_theta_full 0.999

_refine_diff_density_max         2.758

_refine_diff_density_min         -1.333

_refine_diff_density_rms         0.180
_database_code_depnum_ccdc_archive 'CCDC 944535'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_sad1





_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;

       ?

;

_chemical_name_common            ?

_chemical_melting_point          ?

_chemical_formula_moiety         
'(C41 H52 N6 Br3 Au1 Rh2), 1.0(C2 H3 N1)'

_chemical_formula_sum            
'C43 H55 Au Br3 N7 Rh2'

_chemical_formula_weight         1312.45



loop_

_atom_type_symbol

_atom_type_description

_atom_type_scat_dispersion_real

_atom_type_scat_dispersion_imag

_atom_type_scat_source












C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2900 2.4600 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1180 0.9190 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0130 8.8020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'



_symmetry_cell_setting           Triclinic

_symmetry_space_group_name_H-M   'P -1'

_symmetry_space_group_name_Hall  '-P 1'



loop_

_symmetry_equiv_pos_as_xyz


'x, y, z'
'-x, -y, -z'



_cell_length_a                   11.3939(2)

_cell_length_b                   15.2128(3)

_cell_length_c                   15.9193(3)

_cell_angle_alpha                70.7890(10)

_cell_angle_beta                 73.3300(10)

_cell_angle_gamma                87.1300(10)

_cell_volume                     2493.18(8)

_cell_formula_units_Z            2

_cell_measurement_temperature    153(2)

_cell_measurement_reflns_used    15522

_cell_measurement_theta_min      2.220

_cell_measurement_theta_max      30.8945



_exptl_crystal_description       prism

_exptl_crystal_colour            'light yellow'

_exptl_crystal_size_max          0.15

_exptl_crystal_size_mid          0.15

_exptl_crystal_size_min          0.05

_exptl_crystal_density_meas      ?

_exptl_crystal_density_diffrn    1.748

_exptl_crystal_density_method    'not measured'

_exptl_crystal_F_000             1272

_exptl_absorpt_coefficient_mu    6.028

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.4650

_exptl_absorpt_correction_T_max  0.7526

_exptl_absorpt_process_details   
; 

       Multi-scan correction included in APEX2 package (Bruker AXS,
      2012)

;



_exptl_special_details           
;

       ?

;



_diffrn_ambient_temperature      153(2)

_diffrn_radiation_wavelength     0.71073

_diffrn_radiation_type           MoK\a

_diffrn_radiation_source         microsource

_diffrn_radiation_monochromator  'Goebel mirror'

_diffrn_measurement_device_type  'Bruker APEX-II CCD'

_diffrn_measurement_method       '\f and \w scans'

_diffrn_detector_area_resol_mean ?

_diffrn_standards_number         ?

_diffrn_standards_interval_count ?

_diffrn_standards_interval_time  ?

_diffrn_standards_decay_%        ?

_diffrn_reflns_number            45942

_diffrn_reflns_av_R_equivalents  0.0321

_diffrn_reflns_av_sigmaI/netI    0.0380

_diffrn_reflns_limit_h_min       -16

_diffrn_reflns_limit_h_max       16

_diffrn_reflns_limit_k_min       -22

_diffrn_reflns_limit_k_max       22

_diffrn_reflns_limit_l_min       -22

_diffrn_reflns_limit_l_max       22

_diffrn_reflns_theta_min         1.64

_diffrn_reflns_theta_max         31.06

_reflns_number_total             15491

_reflns_number_gt                12230

_reflns_threshold_expression     >2sigma(I)



_computing_data_collection       'Bruker APEX2'

_computing_cell_refinement       'Bruker SAINT'

_computing_data_reduction        'Bruker SAINT'

_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'

_computing_molecular_graphics    'Bruker SHELXTL'

_computing_publication_material  'Bruker SHELXTL'



_refine_special_details          
;

       Refinement of F^2^ against ALL reflections.  The weighted
      R-factor wR and

       goodness of fit S are based on F^2^, conventional R-factors R are
      based

       on F, with F set to zero for negative F^2^. The threshold
      expression of

       F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt)
      etc. and is

       not relevant to the choice of reflections for refinement. 
      R-factors based

       on F^2^ 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/[\s^2^(Fo^2^)+(0.0665P)^2^+3.7120P] where P=(Fo^2^+2Fc^2^)/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         15491

_refine_ls_number_parameters     513

_refine_ls_number_restraints     62

_refine_ls_R_factor_all          0.0573

_refine_ls_R_factor_gt           0.0409

_refine_ls_wR_factor_ref         0.1179

_refine_ls_wR_factor_gt          0.1097

_refine_ls_goodness_of_fit_ref   1.022

_refine_ls_restrained_S_all      1.027

_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













































































































Au1 Au 0.738916(15) 0.747567(13) 0.381351(11) 0.03334(6) Uani 1 1 d . . .
Rh1 Rh 0.68507(2) 0.45707(2) 0.735755(19) 0.02595(8) Uani 1 1 d . . .
Rh2 Rh 1.00412(3) 0.77803(2) 0.71790(2) 0.02732(8) Uani 1 1 d . A .
Br1 Br 0.65633(7) 0.89823(4) 0.33997(5) 0.06257(17) Uani 1 1 d . . .
Br2 Br 0.83569(4) 0.33058(4) 0.72074(3) 0.03894(11) Uani 1 1 d . . .
Br3 Br 1.16531(4) 0.67619(4) 0.77820(4) 0.04192(12) Uani 1 1 d . . .
N1 N 0.8243(3) 0.5668(3) 0.4932(2) 0.0270(7) Uani 1 1 d . A .
N2 N 0.7968(3) 0.5577(3) 0.3687(2) 0.0323(8) Uani 1 1 d . . .
N3 N 0.8327(3) 0.5543(3) 0.7994(2) 0.0265(7) Uani 1 1 d . . .
N4 N 0.7599(3) 0.4291(3) 0.9144(2) 0.0315(8) Uani 1 1 d . . .
N5 N 1.0887(3) 0.7809(3) 0.5297(2) 0.0277(7) Uani 1 1 d . A .
N6 N 1.2295(3) 0.8580(3) 0.5452(3) 0.0327(8) Uani 1 1 d . A .
C1 C 0.7942(3) 0.6173(3) 0.4157(3) 0.0280(8) Uani 1 1 d . . .
C2 C 0.8482(4) 0.4777(4) 0.4931(3) 0.0335(9) Uani 1 1 d . . .
H2 H 0.8724 0.4294 0.5396 0.040 Uiso 1 1 calc R . .
C3 C 0.8308(4) 0.4711(4) 0.4144(3) 0.0359(10) Uani 1 1 d . . .
H3 H 0.8402 0.4177 0.3950 0.043 Uiso 1 1 calc R . .
C4 C 0.7742(4) 0.5820(4) 0.2776(3) 0.0360(10) Uani 1 1 d . . .
H4A H 0.7278 0.6395 0.2669 0.043 Uiso 1 1 calc R . .
H4B H 0.7233 0.5313 0.2773 0.043 Uiso 1 1 calc R . .
C5 C 0.8916(5) 0.5971(5) 0.2001(3) 0.0583(17) Uani 1 1 d . . .
H5A H 0.9424 0.6472 0.2002 0.088 Uiso 1 1 calc R . .
H5B H 0.8728 0.6145 0.1406 0.088 Uiso 1 1 calc R . .
H5C H 0.9362 0.5396 0.2090 0.088 Uiso 1 1 calc R . .
C6 C 0.8560(3) 0.6054(3) 0.5565(3) 0.0275(8) Uani 1 1 d . . .
C7 C 0.8131(3) 0.5657(3) 0.6532(3) 0.0268(8) Uani 1 1 d . A .
C8 C 0.8659(3) 0.6077(3) 0.7029(2) 0.0254(8) Uani 1 1 d . A .
C9 C 0.7596(3) 0.4762(3) 0.8267(2) 0.0263(8) Uani 1 1 d . A .
C10 C 0.8796(4) 0.5554(3) 0.8708(3) 0.0299(9) Uani 1 1 d . A .
H10 H 0.9337 0.6018 0.8693 0.036 Uiso 1 1 calc R . .
C11 C 0.8330(4) 0.4776(4) 0.9424(3) 0.0337(10) Uani 1 1 d . A .
H11 H 0.8475 0.4591 1.0015 0.040 Uiso 1 1 calc R . .
C12 C 0.7062(5) 0.3344(4) 0.9675(3) 0.0403(11) Uani 1 1 d . A .
H12A H 0.6483 0.3341 1.0273 0.048 Uiso 1 1 calc R . .
H12B H 0.6596 0.3147 0.9324 0.048 Uiso 1 1 calc R . .
C13 C 0.8006(7) 0.2690(5) 0.9851(5) 0.0642(17) Uani 1 1 d . . .
H13A H 0.8596 0.2708 0.9259 0.096 Uiso 1 1 calc R A .
H13B H 0.7628 0.2059 1.0177 0.096 Uiso 1 1 calc R . .
H13C H 0.8431 0.2860 1.0234 0.096 Uiso 1 1 calc R . .
C14 C 0.9454(3) 0.6859(3) 0.6650(3) 0.0263(8) Uani 1 1 d . . .
C15 C 0.9874(3) 0.7151(3) 0.5671(3) 0.0273(8) Uani 1 1 d . A .
C16 C 1.1194(3) 0.8125(3) 0.5905(3) 0.0285(8) Uani 1 1 d . . .
C17 C 1.1811(4) 0.8039(3) 0.4459(3) 0.0325(9) Uani 1 1 d . . .
H17 H 1.1821 0.7886 0.3924 0.039 Uiso 1 1 calc R A .
C18 C 1.2685(4) 0.8521(3) 0.4560(3) 0.0346(9) Uani 1 1 d . A .
H18 H 1.3437 0.8777 0.4104 0.042 Uiso 1 1 calc R . .
C19 C 1.3006(4) 0.9029(4) 0.5841(4) 0.0411(11) Uani 1 1 d . . .
H19A H 1.2509 0.9004 0.6471 0.049 Uiso 1 1 calc R A .
H19B H 1.3172 0.9693 0.5453 0.049 Uiso 1 1 calc R . .
C20 C 1.4206(5) 0.8592(5) 0.5901(5) 0.0579(15) Uani 1 1 d . A .
H20A H 1.4050 0.7941 0.6309 0.087 Uiso 1 1 calc R . .
H20B H 1.4644 0.8935 0.6153 0.087 Uiso 1 1 calc R . .
H20C H 1.4707 0.8614 0.5280 0.087 Uiso 1 1 calc R . .
C21 C 0.9445(3) 0.6788(3) 0.5129(3) 0.0287(8) Uani 1 1 d . A .
H21 H 0.9743 0.7030 0.4471 0.034 Uiso 1 1 calc R . .
C22A C 0.4929(8) 0.4148(7) 0.8267(6) 0.0199(18) Uiso 0.460(9) 1 d PD A 1
C23A C 0.5086(10) 0.5136(7) 0.7698(6) 0.026(2) Uiso 0.460(9) 1 d PD A 1
C24A C 0.5333(7) 0.5256(6) 0.6745(5) 0.0194(17) Uiso 0.460(9) 1 d PD A 1
C25A C 0.5435(8) 0.4332(7) 0.6736(6) 0.0240(19) Uiso 0.460(9) 1 d PD A 1
C26A C 0.5176(9) 0.3613(7) 0.7686(7) 0.030(2) Uiso 0.460(9) 1 d PD A 1
C27A C 0.4402(9) 0.3874(8) 0.9308(6) 0.035(2) Uiso 0.460(9) 1 d PD A 1
C28A C 0.4793(10) 0.5955(7) 0.8068(8) 0.040(3) Uiso 0.460(9) 1 d PD A 1
C29A C 0.5371(9) 0.6102(7) 0.5961(6) 0.033(2) Uiso 0.460(9) 1 d PD A 1
C30A C 0.5656(10) 0.3980(8) 0.5898(7) 0.038(2) Uiso 0.460(9) 1 d PD A 1
C31A C 0.5117(13) 0.2601(9) 0.7960(11) 0.052(3) Uiso 0.460(9) 1 d PD A 1
C22B C 0.4906(8) 0.4441(6) 0.8272(6) 0.0290(19) Uiso 0.540(9) 1 d PD A 2
C23B C 0.5158(12) 0.5276(8) 0.7489(6) 0.042(3) Uiso 0.540(9) 1 d PD A 2
C24B C 0.5378(7) 0.4965(6) 0.6675(5) 0.0242(17) Uiso 0.540(9) 1 d PD A 2
C25B C 0.5433(8) 0.3998(7) 0.6897(6) 0.0324(19) Uiso 0.540(9) 1 d PD A 2
C26B C 0.5099(9) 0.3681(7) 0.7945(7) 0.036(2) Uiso 0.540(9) 1 d PD A 2
C27B C 0.4480(10) 0.4372(8) 0.9281(6) 0.048(2) Uiso 0.540(9) 1 d PD A 2
C28B C 0.4991(10) 0.6227(7) 0.7520(8) 0.052(3) Uiso 0.540(9) 1 d PD A 2
C29B C 0.5409(9) 0.5676(7) 0.5733(6) 0.042(2) Uiso 0.540(9) 1 d PD A 2
C30B C 0.5637(10) 0.3409(8) 0.6304(8) 0.053(3) Uiso 0.540(9) 1 d PD A 2
C31B C 0.4931(12) 0.2625(9) 0.8468(10) 0.060(3) Uiso 0.540(9) 1 d PD A 2
C32 C 0.8971(4) 0.8024(4) 0.8515(3) 0.0381(10) Uani 1 1 d . . .
C33 C 0.9886(5) 0.8779(4) 0.7980(3) 0.0384(10) Uani 1 1 d . A .
C34 C 0.9625(5) 0.9235(3) 0.7131(3) 0.0379(10) Uani 1 1 d . . .
C35 C 0.8611(4) 0.8736(4) 0.7097(3) 0.0394(11) Uani 1 1 d . A .
C36 C 0.8172(4) 0.8013(4) 0.7990(3) 0.0369(10) Uani 1 1 d . A .
C37 C 0.8865(6) 0.7429(4) 0.9493(3) 0.0482(13) Uani 1 1 d . A .
H37A H 0.8661 0.7814 0.9897 0.072 Uiso 1 1 calc R . .
H37B H 0.9647 0.7142 0.9525 0.072 Uiso 1 1 calc R . .
H37C H 0.8217 0.6940 0.9697 0.072 Uiso 1 1 calc R . .
C38 C 1.0863(6) 0.9030(4) 0.8317(4) 0.0519(14) Uani 1 1 d . . .
H38A H 1.1396 0.9539 0.7822 0.078 Uiso 1 1 calc R A .
H38B H 1.1350 0.8486 0.8495 0.078 Uiso 1 1 calc R . .
H38C H 1.0491 0.9230 0.8856 0.078 Uiso 1 1 calc R . .
C39 C 1.0257(5) 1.0124(4) 0.6392(4) 0.0476(12) Uani 1 1 d . A .
H39A H 0.9765 1.0655 0.6467 0.071 Uiso 1 1 calc R . .
H39B H 1.0345 1.0082 0.5776 0.071 Uiso 1 1 calc R . .
H39C H 1.1070 1.0211 0.6456 0.071 Uiso 1 1 calc R . .
C40 C 0.7960(5) 0.9014(4) 0.6362(4) 0.0490(13) Uani 1 1 d . . .
H40A H 0.7250 0.9371 0.6546 0.073 Uiso 1 1 calc R A .
H40B H 0.7682 0.8454 0.6284 0.073 Uiso 1 1 calc R . .
H40C H 0.8521 0.9399 0.5774 0.073 Uiso 1 1 calc R . .
C41 C 0.7013(4) 0.7431(4) 0.8289(4) 0.0464(13) Uani 1 1 d . . .
H41A H 0.6998 0.6901 0.8847 0.070 Uiso 1 1 calc R A .
H41B H 0.6973 0.7201 0.7790 0.070 Uiso 1 1 calc R . .
H41C H 0.6307 0.7809 0.8426 0.070 Uiso 1 1 calc R . .
N50 N 0.5182(18) 0.1292(14) 0.0352(14) 0.090(5) Uiso 0.40 1 d PD B 1
C50 C 0.502(4) -0.015(2) 0.156(3) 0.171(16) Uiso 0.40 1 d PD B 1
C51 C 0.526(2) 0.0709(15) 0.0835(15) 0.077(5) Uiso 0.40 1 d PD B 1
N60 N 0.723(3) 0.047(2) 0.811(2) 0.126(11) Uiso 0.30 1 d PD C 2
C60 C 0.905(3) 0.093(3) 0.844(3) 0.102(10) Uiso 0.30 1 d PD C 2
C61 C 0.787(3) 0.059(2) 0.851(2) 0.089(8) Uiso 0.30 1 d PD C 2
N70 N 1.135(3) 0.079(2) 0.941(2) 0.122(10) Uiso 0.30 1 d PD D 3
C70 C 0.9986(19) 0.1307(15) 0.8324(14) 0.054(5) Uiso 0.30 1 d PD D 3
C71 C 1.071(2) 0.1068(19) 0.8956(18) 0.073(7) Uiso 0.30 1 d PD D 3



loop_

_atom_site_aniso_label

_atom_site_aniso_U_11

_atom_site_aniso_U_22

_atom_site_aniso_U_33

_atom_site_aniso_U_23

_atom_site_aniso_U_13

_atom_site_aniso_U_12











































Au1 0.03095(9) 0.04250(11) 0.02310(8) -0.00466(7) -0.00884(6) -0.00307(7)
Rh1 0.01481(12) 0.04334(19) 0.01627(13) -0.00485(12) -0.00440(9) -0.00240(11)
Rh2 0.02290(14) 0.03617(18) 0.01939(14) -0.00425(12) -0.00658(10) 0.00193(12)
Br1 0.0702(4) 0.0427(3) 0.0643(4) -0.0083(3) -0.0135(3) -0.0019(3)
Br2 0.0347(2) 0.0533(3) 0.0288(2) -0.0113(2) -0.01236(17) 0.00677(19)
Br3 0.0267(2) 0.0477(3) 0.0455(3) -0.0021(2) -0.01683(18) 0.00090(18)
N1 0.0172(13) 0.044(2) 0.0174(14) -0.0060(14) -0.0053(11) 0.0006(13)
N2 0.0236(15) 0.054(2) 0.0176(15) -0.0097(16) -0.0069(12) 0.0069(15)
N3 0.0190(14) 0.043(2) 0.0148(13) -0.0042(14) -0.0063(11) -0.0007(13)
N4 0.0242(15) 0.047(2) 0.0159(14) -0.0012(15) -0.0050(12) -0.0055(15)
N5 0.0223(15) 0.0336(19) 0.0203(15) -0.0025(14) -0.0030(12) 0.0009(13)
N6 0.0285(17) 0.0328(19) 0.0302(18) -0.0052(16) -0.0036(14) -0.0044(14)
C1 0.0213(16) 0.043(2) 0.0185(16) -0.0069(16) -0.0069(13) -0.0012(15)
C2 0.0256(18) 0.049(3) 0.0216(18) -0.0057(18) -0.0084(14) 0.0060(17)
C3 0.032(2) 0.052(3) 0.028(2) -0.015(2) -0.0139(16) 0.0089(19)
C4 0.0272(19) 0.063(3) 0.0198(18) -0.012(2) -0.0112(15) 0.0014(19)
C5 0.039(3) 0.106(5) 0.023(2) -0.014(3) -0.0052(19) 0.001(3)
C6 0.0182(15) 0.047(2) 0.0156(16) -0.0066(16) -0.0060(12) 0.0007(15)
C7 0.0145(14) 0.044(2) 0.0165(16) -0.0031(16) -0.0042(12) 0.0006(14)
C8 0.0158(14) 0.040(2) 0.0157(15) -0.0044(15) -0.0039(12) 0.0033(14)
C9 0.0164(15) 0.042(2) 0.0153(15) -0.0038(16) -0.0036(12) -0.0010(14)
C10 0.0233(17) 0.044(2) 0.0214(17) -0.0052(17) -0.0097(14) -0.0033(16)
C11 0.0272(19) 0.053(3) 0.0187(17) -0.0050(18) -0.0106(14) -0.0010(18)
C12 0.042(2) 0.049(3) 0.023(2) 0.0006(19) -0.0099(17) -0.014(2)
C13 0.073(4) 0.050(4) 0.066(4) -0.001(3) -0.034(3) 0.001(3)
C14 0.0202(16) 0.036(2) 0.0192(16) -0.0043(16) -0.0067(13) 0.0036(15)
C15 0.0170(15) 0.037(2) 0.0198(17) 0.0005(16) -0.0047(12) -0.0017(14)
C16 0.0216(17) 0.032(2) 0.0255(18) -0.0030(16) -0.0041(14) 0.0017(15)
C17 0.0283(19) 0.038(2) 0.0221(18) -0.0049(17) 0.0012(15) -0.0025(17)
C18 0.032(2) 0.033(2) 0.027(2) -0.0043(18) 0.0030(16) -0.0040(17)
C19 0.035(2) 0.046(3) 0.040(3) -0.012(2) -0.0070(19) -0.007(2)
C20 0.034(3) 0.074(4) 0.066(4) -0.024(3) -0.013(2) -0.006(3)
C21 0.0194(16) 0.045(2) 0.0164(16) -0.0039(16) -0.0049(13) 0.0010(15)
C32 0.041(2) 0.048(3) 0.0207(19) -0.0093(19) -0.0052(17) 0.005(2)
C33 0.049(3) 0.036(2) 0.030(2) -0.0099(19) -0.0120(19) 0.006(2)
C34 0.043(2) 0.036(2) 0.031(2) -0.0094(19) -0.0071(18) 0.0102(19)
C35 0.035(2) 0.051(3) 0.025(2) -0.009(2) -0.0026(16) 0.014(2)
C36 0.029(2) 0.049(3) 0.027(2) -0.012(2) -0.0019(16) 0.0066(19)
C37 0.065(3) 0.054(3) 0.022(2) -0.006(2) -0.014(2) -0.004(3)
C38 0.067(4) 0.050(3) 0.043(3) -0.013(3) -0.024(3) -0.003(3)
C39 0.053(3) 0.043(3) 0.035(3) -0.001(2) -0.010(2) 0.005(2)
C40 0.043(3) 0.061(4) 0.034(2) -0.003(2) -0.015(2) 0.015(2)
C41 0.026(2) 0.065(4) 0.038(3) -0.012(2) 0.0007(18) 0.004(2)



_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
























































































Au1 C1 1.995(5) . ?
Au1 Br1 2.3913(7) . ?
Rh1 C9 1.978(4) . ?
Rh1 C7 2.073(4) . ?
Rh1 C23A 2.141(11) . ?
Rh1 C23B 2.150(13) . ?
Rh1 C24B 2.208(7) . ?
Rh1 C25A 2.218(9) . ?
Rh1 C22A 2.239(8) . ?
Rh1 C26B 2.249(10) . ?
Rh1 C22B 2.252(9) . ?
Rh1 C25B 2.268(9) . ?
Rh1 C24A 2.269(8) . ?
Rh1 C26A 2.290(10) . ?
Rh2 C16 1.989(4) . ?
Rh2 C14 2.077(4) . ?
Rh2 C35 2.132(5) . ?
Rh2 C34 2.220(5) . ?
Rh2 C36 2.231(4) . ?
Rh2 C33 2.255(5) . ?
Rh2 C32 2.265(4) . ?
Rh2 Br3 2.5382(5) . ?
N1 C1 1.351(5) . ?
N1 C2 1.369(6) . ?
N1 C6 1.453(5) . ?
N2 C1 1.348(6) . ?
N2 C3 1.377(6) . ?
N2 C4 1.469(5) . ?
N3 C9 1.358(6) . ?
N3 C10 1.392(5) . ?
N3 C8 1.428(5) . ?
N4 C9 1.344(5) . ?
N4 C11 1.388(6) . ?
N4 C12 1.467(6) . ?
N5 C16 1.344(6) . ?
N5 C17 1.391(5) . ?
N5 C15 1.421(5) . ?
N6 C16 1.346(5) . ?
N6 C18 1.394(6) . ?
N6 C19 1.457(6) . ?
C2 C3 1.358(6) . ?
C4 C5 1.504(6) . ?
C6 C21 1.396(6) . ?
C6 C7 1.400(5) . ?
C7 C8 1.428(6) . ?
C8 C14 1.386(6) . ?
C10 C11 1.345(6) . ?
C12 C13 1.452(8) . ?
C14 C15 1.412(5) . ?
C15 C21 1.368(6) . ?
C17 C18 1.341(7) . ?
C19 C20 1.504(8) . ?
C22A C26A 1.386(12) . ?
C22A C23A 1.466(12) . ?
C22A C27A 1.511(11) . ?
C23A C24A 1.411(11) . ?
C23A C28A 1.530(13) . ?
C24A C25A 1.409(11) . ?
C24A C29A 1.460(11) . ?
C25A C26A 1.503(13) . ?
C25A C30A 1.548(13) . ?
C26A C31A 1.454(15) . ?
C22B C26B 1.400(12) . ?
C22B C23B 1.427(12) . ?
C22B C27B 1.509(12) . ?
C23B C28B 1.465(13) . ?
C23B C24B 1.473(12) . ?
C24B C25B 1.398(11) . ?
C24B C29B 1.525(11) . ?
C25B C30B 1.470(12) . ?
C25B C26B 1.511(12) . ?
C26B C31B 1.539(14) . ?
C32 C36 1.404(7) . ?
C32 C33 1.448(7) . ?
C32 C37 1.495(6) . ?
C33 C34 1.411(7) . ?
C33 C38 1.481(8) . ?
C34 C35 1.437(8) . ?
C34 C39 1.515(7) . ?
C35 C36 1.449(7) . ?
C35 C40 1.497(7) . ?
C36 C41 1.495(7) . ?
N50 C51 0.983(19) . ?
C50 C51 1.40(3) . ?
N60 C61 1.16(2) . ?
C60 C61 1.42(3) . ?
N70 C71 1.13(2) . ?
C70 C71 1.43(2) . ?



loop_

_geom_angle_atom_site_label_1

_geom_angle_atom_site_label_2

_geom_angle_atom_site_label_3

_geom_angle

_geom_angle_site_symmetry_1

_geom_angle_site_symmetry_3

_geom_angle_publ_flag






















































































































































































































































C1 Au1 Br1 175.00(11) . . ?
C9 Rh1 C7 77.94(15) . . ?
C9 Rh1 C23A 102.4(3) . . ?
C7 Rh1 C23A 108.7(3) . . ?
C9 Rh1 C23B 106.7(3) . . ?
C7 Rh1 C23B 102.1(3) . . ?
C23A Rh1 C23B 8.5(3) . . ?
C9 Rh1 C24B 145.6(2) . . ?
C7 Rh1 C24B 100.0(2) . . ?
C23A Rh1 C24B 45.1(3) . . ?
C23B Rh1 C24B 39.5(3) . . ?
C9 Rh1 C25A 160.1(3) . . ?
C7 Rh1 C25A 115.8(3) . . ?
C23A Rh1 C25A 60.5(4) . . ?
C23B Rh1 C25A 57.8(4) . . ?
C24B Rh1 C25A 24.4(3) . . ?
C9 Rh1 C22A 99.6(2) . . ?
C7 Rh1 C22A 147.0(3) . . ?
C23A Rh1 C22A 39.0(3) . . ?
C23B Rh1 C22A 46.5(4) . . ?
C24B Rh1 C22A 63.5(3) . . ?
C25A Rh1 C22A 60.9(3) . . ?
C9 Rh1 C26B 116.4(3) . . ?
C7 Rh1 C26B 160.9(3) . . ?
C23A Rh1 C26B 57.6(4) . . ?
C23B Rh1 C26B 62.7(4) . . ?
C24B Rh1 C26B 60.9(3) . . ?
C25A Rh1 C26B 47.1(3) . . ?
C22A Rh1 C26B 25.4(3) . . ?
C9 Rh1 C22B 95.1(2) . . ?
C7 Rh1 C22B 135.8(3) . . ?
C23A Rh1 C22B 29.6(3) . . ?
C23B Rh1 C22B 37.8(3) . . ?
C24B Rh1 C22B 62.2(3) . . ?
C25A Rh1 C22B 65.0(3) . . ?
C22A Rh1 C22B 11.4(3) . . ?
C26B Rh1 C22B 36.3(3) . . ?
C9 Rh1 C25B 155.5(3) . . ?
C7 Rh1 C25B 125.8(3) . . ?
C23A Rh1 C25B 66.6(4) . . ?
C23B Rh1 C25B 65.6(4) . . ?
C24B Rh1 C25B 36.4(3) . . ?
C25A Rh1 C25B 12.4(3) . . ?
C22A Rh1 C25B 57.7(3) . . ?
C26B Rh1 C25B 39.1(3) . . ?
C22B Rh1 C25B 64.2(3) . . ?
C9 Rh1 C24A 133.9(3) . . ?
C7 Rh1 C24A 93.9(2) . . ?
C23A Rh1 C24A 37.2(3) . . ?
C23B Rh1 C24A 30.1(3) . . ?
C24B Rh1 C24A 12.4(2) . . ?
C25A Rh1 C24A 36.6(3) . . ?
C22A Rh1 C24A 63.8(3) . . ?
C26B Rh1 C24A 67.0(3) . . ?
C22B Rh1 C24A 59.8(3) . . ?
C25B Rh1 C24A 48.1(3) . . ?
C9 Rh1 C26A 126.4(3) . . ?
C7 Rh1 C26A 154.7(3) . . ?
C23A Rh1 C26A 63.1(4) . . ?
C23B Rh1 C26A 66.7(4) . . ?
C24B Rh1 C26A 56.5(3) . . ?
C25A Rh1 C26A 38.9(3) . . ?
C22A Rh1 C26A 35.6(3) . . ?
C26B Rh1 C26A 11.1(3) . . ?
C22B Rh1 C26A 45.8(3) . . ?
C25B Rh1 C26A 29.3(3) . . ?
C24A Rh1 C26A 64.7(3) . . ?
C9 Rh1 Br2 87.63(12) . . ?
C7 Rh1 Br2 94.41(11) . . ?
C23A Rh1 Br2 156.2(3) . . ?
C24B Rh1 Br2 126.6(2) . . ?
C22B Rh1 Br2 129.2(2) . . ?
C24A Rh1 Br2 138.5(2) . . ?
C16 Rh2 C14 78.18(17) . . ?
C16 Rh2 C35 105.79(17) . . ?
C14 Rh2 C35 99.07(19) . . ?
C16 Rh2 C34 95.39(18) . . ?
C14 Rh2 C34 134.10(17) . . ?
C35 Rh2 C34 38.5(2) . . ?
C16 Rh2 C36 143.17(17) . . ?
C14 Rh2 C36 95.56(17) . . ?
C35 Rh2 C36 38.71(18) . . ?
C34 Rh2 C36 62.97(19) . . ?
C16 Rh2 C33 118.46(19) . . ?
C14 Rh2 C33 157.74(17) . . ?
C35 Rh2 C33 63.44(19) . . ?
C34 Rh2 C33 36.75(17) . . ?
C36 Rh2 C33 62.20(19) . . ?
C16 Rh2 C32 155.43(19) . . ?
C14 Rh2 C32 123.80(17) . . ?
C35 Rh2 C32 63.11(17) . . ?
C34 Rh2 C32 61.92(18) . . ?
C36 Rh2 C32 36.38(18) . . ?
C33 Rh2 C32 37.38(19) . . ?
C16 Rh2 Br3 88.97(12) . . ?
C14 Rh2 Br3 96.34(11) . . ?
C35 Rh2 Br3 160.51(13) . . ?
C34 Rh2 Br3 129.23(14) . . ?
C36 Rh2 Br3 127.86(12) . . ?
C33 Rh2 Br3 98.51(13) . . ?
C32 Rh2 Br3 98.28(13) . . ?
C1 N1 C2 110.4(4) . . ?
C1 N1 C6 124.9(4) . . ?
C2 N1 C6 123.1(3) . . ?
C1 N2 C3 111.3(3) . . ?
C1 N2 C4 125.1(4) . . ?
C3 N2 C4 123.5(4) . . ?
C9 N3 C10 110.1(3) . . ?
C9 N3 C8 116.7(3) . . ?
C10 N3 C8 131.8(3) . . ?
C9 N4 C11 109.9(4) . . ?
C9 N4 C12 124.8(4) . . ?
C11 N4 C12 124.7(4) . . ?
C16 N5 C17 110.8(4) . . ?
C16 N5 C15 116.1(3) . . ?
C17 N5 C15 131.3(4) . . ?
C16 N6 C18 109.4(4) . . ?
C16 N6 C19 125.9(4) . . ?
C18 N6 C19 124.7(4) . . ?
N2 C1 N1 105.1(4) . . ?
N2 C1 Au1 125.7(3) . . ?
N1 C1 Au1 128.9(3) . . ?
C3 C2 N1 107.5(4) . . ?
C2 C3 N2 105.7(4) . . ?
N2 C4 C5 112.0(4) . . ?
C21 C6 C7 122.5(4) . . ?
C21 C6 N1 114.0(3) . . ?
C7 C6 N1 123.1(4) . . ?
C6 C7 C8 114.3(4) . . ?
C6 C7 Rh1 130.7(3) . . ?
C8 C7 Rh1 115.0(3) . . ?
C14 C8 C7 126.5(3) . . ?
C14 C8 N3 122.6(4) . . ?
C7 C8 N3 110.8(3) . . ?
N4 C9 N3 106.0(3) . . ?
N4 C9 Rh1 136.2(3) . . ?
N3 C9 Rh1 117.8(3) . . ?
C11 C10 N3 106.3(4) . . ?
C10 C11 N4 107.7(4) . . ?
C13 C12 N4 111.1(4) . . ?
C8 C14 C15 113.0(4) . . ?
C8 C14 Rh2 134.7(3) . . ?
C15 C14 Rh2 112.0(3) . . ?
C21 C15 C14 124.7(4) . . ?
C21 C15 N5 122.3(3) . . ?
C14 C15 N5 112.8(4) . . ?
N5 C16 N6 106.0(4) . . ?
N5 C16 Rh2 116.8(3) . . ?
N6 C16 Rh2 137.1(3) . . ?
C18 C17 N5 105.9(4) . . ?
C17 C18 N6 107.8(4) . . ?
N6 C19 C20 113.8(5) . . ?
C15 C21 C6 118.4(3) . . ?
C26A C22A C23A 108.9(8) . . ?
C26A C22A C27A 130.8(9) . . ?
C23A C22A C27A 119.8(8) . . ?
C26A C22A Rh1 74.2(6) . . ?
C23A C22A Rh1 66.9(5) . . ?
C27A C22A Rh1 130.7(6) . . ?
C24A C23A C22A 111.7(9) . . ?
C24A C23A C28A 121.9(8) . . ?
C22A C23A C28A 125.5(8) . . ?
C24A C23A Rh1 76.3(6) . . ?
C22A C23A Rh1 74.1(6) . . ?
C28A C23A Rh1 125.9(8) . . ?
C25A C24A C23A 102.4(7) . . ?
C25A C24A C29A 127.5(8) . . ?
C23A C24A C29A 129.9(8) . . ?
C25A C24A Rh1 69.7(5) . . ?
C23A C24A Rh1 66.5(5) . . ?
C29A C24A Rh1 130.2(6) . . ?
C24A C25A C26A 113.9(8) . . ?
C24A C25A C30A 128.4(8) . . ?
C26A C25A C30A 117.5(8) . . ?
C24A C25A Rh1 73.7(5) . . ?
C26A C25A Rh1 73.1(5) . . ?
C30A C25A Rh1 126.2(6) . . ?
C22A C26A C31A 127.1(10) . . ?
C22A C26A C25A 102.9(8) . . ?
C31A C26A C25A 129.9(10) . . ?
C22A C26A Rh1 70.2(5) . . ?
C31A C26A Rh1 127.5(8) . . ?
C25A C26A Rh1 68.0(5) . . ?
C26B C22B C23B 108.2(8) . . ?
C26B C22B C27B 125.1(8) . . ?
C23B C22B C27B 126.7(9) . . ?
C26B C22B Rh1 71.8(5) . . ?
C23B C22B Rh1 67.3(6) . . ?
C27B C22B Rh1 127.6(6) . . ?
C22B C23B C28B 126.0(8) . . ?
C22B C23B C24B 105.2(9) . . ?
C28B C23B C24B 127.8(8) . . ?
C22B C23B Rh1 75.0(6) . . ?
C28B C23B Rh1 126.1(9) . . ?
C24B C23B Rh1 72.4(6) . . ?
C25B C24B C23B 113.0(7) . . ?
C25B C24B C29B 127.3(7) . . ?
C23B C24B C29B 119.5(7) . . ?
C25B C24B Rh1 74.2(5) . . ?
C23B C24B Rh1 68.1(6) . . ?
C29B C24B Rh1 129.8(6) . . ?
C24B C25B C30B 130.6(8) . . ?
C24B C25B C26B 101.8(7) . . ?
C30B C25B C26B 127.3(9) . . ?
C24B C25B Rh1 69.5(5) . . ?
C30B C25B Rh1 127.6(7) . . ?
C26B C25B Rh1 69.8(5) . . ?
C22B C26B C25B 111.2(8) . . ?
C22B C26B C31B 131.0(10) . . ?
C25B C26B C31B 117.6(9) . . ?
C22B C26B Rh1 72.0(5) . . ?
C25B C26B Rh1 71.1(5) . . ?
C31B C26B Rh1 127.7(7) . . ?
C36 C32 C33 108.6(4) . . ?
C36 C32 C37 127.3(5) . . ?
C33 C32 C37 123.9(5) . . ?
C36 C32 Rh2 70.5(3) . . ?
C33 C32 Rh2 70.9(3) . . ?
C37 C32 Rh2 128.6(4) . . ?
C34 C33 C32 107.6(4) . . ?
C34 C33 C38 127.9(5) . . ?
C32 C33 C38 124.4(4) . . ?
C34 C33 Rh2 70.3(3) . . ?
C32 C33 Rh2 71.7(3) . . ?
C38 C33 Rh2 125.9(4) . . ?
C33 C34 C35 108.4(4) . . ?
C33 C34 C39 126.5(5) . . ?
C35 C34 C39 125.1(5) . . ?
C33 C34 Rh2 72.9(3) . . ?
C35 C34 Rh2 67.4(3) . . ?
C39 C34 Rh2 127.4(3) . . ?
C34 C35 C36 107.3(4) . . ?
C34 C35 C40 126.8(5) . . ?
C36 C35 C40 124.9(5) . . ?
C34 C35 Rh2 74.1(3) . . ?
C36 C35 Rh2 74.3(3) . . ?
C40 C35 Rh2 126.2(4) . . ?
C32 C36 C35 107.7(4) . . ?
C32 C36 C41 128.1(4) . . ?
C35 C36 C41 124.0(5) . . ?
C32 C36 Rh2 73.2(3) . . ?
C35 C36 Rh2 67.0(2) . . ?
C41 C36 Rh2 128.7(4) . . ?
N50 C51 C50 164(3) . . ?
N60 C61 C60 146(4) . . ?
N70 C71 C70 171(3) . . ?



_diffrn_measured_fraction_theta_max 0.969

_diffrn_reflns_theta_full        27.50

_diffrn_measured_fraction_theta_full 0.999

_refine_diff_density_max         2.556

_refine_diff_density_min         -1.672

_refine_diff_density_rms         0.164







# end of data set 2












_database_code_depnum_ccdc_archive 'CCDC 944536'