Supplementary Material (ESI) for Dalton Transactions
This journal (c) The Royal Society of Chemistry 2002


data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Connelly, N.'
'Hayward, Owen D.'
'Klangsinsirikul, Phimphaka'
'Orpen, A.'

_publ_contact_author_name     	'Prof N Connelly'  
_publ_contact_author_address 
;
School of Chemistry
University of Bristol
Bristol
BS8  1TS
UNITED KINGDOM
;

_publ_contact_author_email       'NEIL.CONNELLY@BRISTOL.AC.UK'

_publ_section_title		
;
Novel dicarbonyl and carbonylnitrosyl tris(mu-triazenide) dirhodium
complexes
; 


data_1
_database_code_CSD                  173464

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C44 H42 N9 O2 Rh2' 
_chemical_formula_weight          934.69 

loop_ 
_atom_type_symbol 
_atom_type_description 
_atom_type_scat_dispersion_real 
_atom_type_scat_dispersion_imag 
_atom_type_scat_source 
'C'  'C'   0.0033   0.0016 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'H'  'H'   0.0000   0.0000 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'N'  'N'   0.0061   0.0033 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Rh'  'Rh'  -1.1178   0.9187 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 

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

_cell_length_a                    12.2254(19) 
_cell_length_b                    23.801(4) 
_cell_length_c                    14.292(3) 
_cell_angle_alpha                 90.000(9) 
_cell_angle_beta                  91.337(15) 
_cell_angle_gamma                 90.000(9) 
_cell_volume                      4157.4(13) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     155 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        block 
_exptl_crystal_colour             black 
_exptl_crystal_size_max           0.2 
_exptl_crystal_size_mid           0.3 
_exptl_crystal_size_min           0.4 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.493 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1900 
_exptl_absorpt_coefficient_mu     0.842 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.719 
_exptl_absorpt_correction_T_max   0.874 
_exptl_absorpt_process_details    'SADABS (Sheldirck 1996)' 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       173(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_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         none 
_diffrn_reflns_number             13547 
_diffrn_reflns_av_R_equivalents   0.0284 
_diffrn_reflns_av_sigmaI/netI     0.0300 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -28 
_diffrn_reflns_limit_k_max        30 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          1.71 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              4740 
_reflns_number_gt                 3804 
_reflns_threshold_expression      >2sigma(I) 

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

_refine_special_details 
; 
Refinement of 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^)+(0.0378P)^2^+0.0000P] 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          4740 
_refine_ls_number_parameters      261 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0377 
_refine_ls_R_factor_gt            0.0254 
_refine_ls_wR_factor_ref          0.0655 
_refine_ls_wR_factor_gt           0.0615 
_refine_ls_goodness_of_fit_ref    1.006 
_refine_ls_restrained_S_all       1.006 
_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 0.502308(12) 0.080634(6) 0.161121(9) 0.02081(6) Uani 1 1 d . . . 
O1 O 0.50292(14) -0.04398(7) 0.13756(12) 0.0440(4) Uani 1 1 d . . . 
N1 N 0.66480(14) 0.08812(7) 0.33054(11) 0.0251(4) Uani 1 1 d . . . 
N2 N 0.72299(15) 0.08805(7) 0.25534(12) 0.0258(4) Uani 1 1 d . . . 
N3 N 0.67105(14) 0.08007(7) 0.17566(11) 0.0252(4) Uani 1 1 d . . . 
N4 N 0.51036(15) 0.16786(7) 0.17402(11) 0.0263(4) Uani 1 1 d . . . 
N5 N 0.5000 0.19716(10) 0.2500 0.0271(5) Uani 1 2 d S . . 
C1 C 0.49974(16) 0.00313(9) 0.14525(14) 0.0276(5) Uani 1 1 d . . . 
C11 C 0.72380(17) 0.10719(9) 0.41213(14) 0.0249(4) Uani 1 1 d . . . 
C12 C 0.78186(19) 0.15711(9) 0.41191(14) 0.0327(5) Uani 1 1 d . . . 
H12 H 0.7936 0.1761 0.3546 0.039 Uiso 1 1 calc R . . 
C13 C 0.8229(2) 0.17944(10) 0.49539(16) 0.0375(5) Uani 1 1 d . . . 
H13 H 0.8623 0.2138 0.4946 0.045 Uiso 1 1 calc R . . 
C14 C 0.80713(19) 0.15205(9) 0.58026(15) 0.0347(5) Uani 1 1 d . . . 
C15 C 0.75419(19) 0.10073(10) 0.57857(15) 0.0336(5) Uani 1 1 d . . . 
H15 H 0.7461 0.0806 0.6354 0.040 Uiso 1 1 calc R . . 
C16 C 0.71265(19) 0.07806(9) 0.49560(15) 0.0302(5) Uani 1 1 d . . . 
H16 H 0.6767 0.0427 0.4959 0.036 Uiso 1 1 calc R . . 
C17 C 0.8438(2) 0.17906(12) 0.67143(16) 0.0522(7) Uani 1 1 d . . . 
H17A H 0.7975 0.1657 0.7220 0.078 Uiso 1 1 calc R . . 
H17B H 0.8374 0.2200 0.6660 0.078 Uiso 1 1 calc R . . 
H17C H 0.9201 0.1690 0.6854 0.078 Uiso 1 1 calc R . . 
C21 C 0.74289(18) 0.07402(8) 0.09858(14) 0.0252(4) Uani 1 1 d . . . 
C22 C 0.85499(19) 0.06672(10) 0.10884(16) 0.0343(5) Uani 1 1 d . . . 
H22 H 0.8881 0.0652 0.1696 0.041 Uiso 1 1 calc R . . 
C23 C 0.9188(2) 0.06162(11) 0.03031(16) 0.0393(6) Uani 1 1 d . . . 
H23 H 0.9957 0.0574 0.0381 0.047 Uiso 1 1 calc R . . 
C24 C 0.8725(2) 0.06254(10) -0.06004(16) 0.0367(6) Uani 1 1 d . . . 
C25 C 0.7608(2) 0.06983(9) -0.06921(15) 0.0338(5) Uani 1 1 d . . . 
H25 H 0.7276 0.0707 -0.1299 0.041 Uiso 1 1 calc R . . 
C26 C 0.69603(19) 0.07585(9) 0.00892(15) 0.0309(5) Uani 1 1 d . . . 
H26 H 0.6194 0.0813 0.0010 0.037 Uiso 1 1 calc R . . 
C27 C 0.9421(3) 0.05580(13) -0.14498(18) 0.0567(8) Uani 1 1 d . . . 
H27A H 0.9149 0.0241 -0.1826 0.085 Uiso 1 1 calc R . . 
H27B H 1.0181 0.0487 -0.1250 0.085 Uiso 1 1 calc R . . 
H27C H 0.9386 0.0902 -0.1825 0.085 Uiso 1 1 calc R . . 
C31 C 0.53484(18) 0.20044(8) 0.09299(14) 0.0263(4) Uani 1 1 d . . . 
C32 C 0.59590(19) 0.24997(9) 0.09763(14) 0.0321(5) Uani 1 1 d . . . 
H32 H 0.6194 0.2646 0.1566 0.039 Uiso 1 1 calc R . . 
C33 C 0.6221(2) 0.27777(9) 0.01571(15) 0.0356(5) Uani 1 1 d . . . 
H33 H 0.6626 0.3118 0.0197 0.043 Uiso 1 1 calc R . . 
C34 C 0.59086(18) 0.25724(9) -0.07165(14) 0.0306(5) Uani 1 1 d . . . 
C35 C 0.5294(2) 0.20838(9) -0.07548(15) 0.0320(5) Uani 1 1 d . . . 
H35 H 0.5060 0.1939 -0.1346 0.038 Uiso 1 1 calc R . . 
C36 C 0.50119(19) 0.18020(9) 0.00564(14) 0.0310(5) Uani 1 1 d . . . 
H36 H 0.4586 0.1469 0.0014 0.037 Uiso 1 1 calc R . . 
C37 C 0.6224(2) 0.28754(10) -0.16078(15) 0.0446(6) Uani 1 1 d . . . 
H37A H 0.6260 0.2604 -0.2122 0.067 Uiso 1 1 calc R . . 
H37B H 0.6940 0.3054 -0.1513 0.067 Uiso 1 1 calc R . . 
H37C H 0.5675 0.3163 -0.1762 0.067 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 
Rh1 0.02280(9) 0.02401(9) 0.01576(8) -0.00096(6) 0.00371(6) -0.00026(6) 
O1 0.0530(12) 0.0322(9) 0.0467(10) -0.0085(7) -0.0004(9) 0.0006(8) 
N1 0.0244(9) 0.0314(9) 0.0197(8) -0.0018(7) 0.0030(7) -0.0024(7) 
N2 0.0274(9) 0.0292(9) 0.0210(8) -0.0021(7) 0.0037(7) -0.0005(7) 
N3 0.0256(9) 0.0311(9) 0.0192(8) -0.0039(7) 0.0046(7) -0.0029(7) 
N4 0.0357(11) 0.0242(8) 0.0192(9) 0.0002(7) 0.0034(8) -0.0004(7) 
N5 0.0333(15) 0.0276(13) 0.0206(12) 0.000 0.0030(10) 0.000 
C1 0.0247(11) 0.0339(12) 0.0243(12) -0.0036(8) 0.0004(9) 0.0006(9) 
C11 0.0217(10) 0.0314(11) 0.0216(10) -0.0027(8) 0.0017(8) 0.0000(8) 
C12 0.0359(13) 0.0378(12) 0.0243(10) 0.0042(9) 0.0021(9) -0.0083(10) 
C13 0.0408(14) 0.0380(12) 0.0336(12) -0.0010(10) -0.0010(10) -0.0150(11) 
C14 0.0341(13) 0.0413(12) 0.0285(11) -0.0042(10) -0.0039(10) -0.0042(10) 
C15 0.0388(13) 0.0390(12) 0.0229(10) 0.0040(9) -0.0024(10) -0.0024(10) 
C16 0.0363(13) 0.0281(11) 0.0263(11) 0.0020(9) 0.0004(9) -0.0040(9) 
C17 0.065(2) 0.0591(16) 0.0315(13) -0.0049(12) -0.0119(13) -0.0144(14) 
C21 0.0273(11) 0.0265(10) 0.0221(10) -0.0015(8) 0.0070(8) -0.0013(8) 
C22 0.0316(13) 0.0455(13) 0.0258(11) 0.0007(9) 0.0039(10) 0.0036(10) 
C23 0.0275(13) 0.0556(14) 0.0353(13) 0.0026(11) 0.0105(10) 0.0072(11) 
C24 0.0423(15) 0.0393(12) 0.0292(12) 0.0036(10) 0.0163(11) 0.0040(10) 
C25 0.0424(14) 0.0393(13) 0.0199(10) -0.0019(9) 0.0073(10) -0.0011(10) 
C26 0.0302(12) 0.0363(12) 0.0264(11) -0.0050(9) 0.0056(9) -0.0030(9) 
C27 0.0539(18) 0.083(2) 0.0348(14) 0.0122(14) 0.0230(13) 0.0183(16) 
C31 0.0315(12) 0.0256(10) 0.0218(10) 0.0034(8) 0.0049(9) 0.0020(9) 
C32 0.0398(13) 0.0324(12) 0.0242(10) -0.0039(9) 0.0000(9) -0.0058(10) 
C33 0.0433(14) 0.0320(12) 0.0315(12) 0.0015(9) 0.0030(10) -0.0120(10) 
C34 0.0342(12) 0.0326(11) 0.0251(10) 0.0037(9) 0.0055(9) -0.0041(9) 
C35 0.0446(14) 0.0326(11) 0.0189(10) -0.0008(9) 0.0008(9) -0.0033(10) 
C36 0.0406(13) 0.0275(10) 0.0251(11) -0.0015(9) 0.0024(10) -0.0067(10) 
C37 0.0600(17) 0.0461(14) 0.0277(12) 0.0111(10) 0.0029(12) -0.0135(13) 

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

loop_ 
_geom_bond_atom_site_label_1 
_geom_bond_atom_site_label_2 
_geom_bond_distance 
_geom_bond_site_symmetry_2 
_geom_bond_publ_flag 
Rh1 C1 1.859(2) . ? 
Rh1 N1 2.0569(18) 2_655 ? 
Rh1 N3 2.0686(18) . ? 
Rh1 N4 2.0863(17) . ? 
Rh1 Rh1 2.5424(6) 2_655 ? 
O1 C1 1.127(3) . ? 
N1 N2 1.303(2) . ? 
N1 C11 1.431(3) . ? 
N1 Rh1 2.0569(18) 2_655 ? 
N2 N3 1.305(2) . ? 
N3 C21 1.432(2) . ? 
N4 N5 1.299(2) . ? 
N4 C31 1.431(2) . ? 
N5 N4 1.2992(19) 2_655 ? 
C11 C12 1.384(3) . ? 
C11 C16 1.389(3) . ? 
C12 C13 1.389(3) . ? 
C13 C14 1.394(3) . ? 
C14 C15 1.382(3) . ? 
C14 C17 1.511(3) . ? 
C15 C16 1.388(3) . ? 
C21 C22 1.386(3) . ? 
C21 C26 1.392(3) . ? 
C22 C23 1.387(3) . ? 
C23 C24 1.397(3) . ? 
C24 C25 1.380(3) . ? 
C24 C27 1.507(3) . ? 
C25 C26 1.391(3) . ? 
C31 C36 1.391(3) . ? 
C31 C32 1.396(3) . ? 
C32 C33 1.389(3) . ? 
C33 C34 1.386(3) . ? 
C34 C35 1.385(3) . ? 
C34 C37 1.521(3) . ? 
C35 C36 1.390(3) . ? 

loop_ 
_geom_angle_atom_site_label_1 
_geom_angle_atom_site_label_2 
_geom_angle_atom_site_label_3 
_geom_angle 
_geom_angle_site_symmetry_1 
_geom_angle_site_symmetry_3 
_geom_angle_publ_flag 
C1 Rh1 N1 94.54(8) . 2_655 ? 
C1 Rh1 N3 91.13(8) . . ? 
N1 Rh1 N3 169.82(6) 2_655 . ? 
C1 Rh1 N4 177.37(7) . . ? 
N1 Rh1 N4 87.34(7) 2_655 . ? 
N3 Rh1 N4 87.29(7) . . ? 
C1 Rh1 Rh1 96.96(6) . 2_655 ? 
N1 Rh1 Rh1 84.08(5) 2_655 2_655 ? 
N3 Rh1 Rh1 86.84(5) . 2_655 ? 
N4 Rh1 Rh1 85.06(4) . 2_655 ? 
N2 N1 C11 113.47(17) . . ? 
N2 N1 Rh1 127.59(14) . 2_655 ? 
C11 N1 Rh1 117.57(12) . 2_655 ? 
N1 N2 N3 117.14(17) . . ? 
N2 N3 C21 113.03(17) . . ? 
N2 N3 Rh1 123.42(13) . . ? 
C21 N3 Rh1 123.47(14) . . ? 
N5 N4 C31 114.32(17) . . ? 
N5 N4 Rh1 127.06(14) . . ? 
C31 N4 Rh1 118.55(12) . . ? 
N4 N5 N4 115.1(2) . 2_655 ? 
O1 C1 Rh1 176.77(19) . . ? 
C12 C11 C16 119.40(19) . . ? 
C12 C11 N1 121.28(18) . . ? 
C16 C11 N1 118.95(18) . . ? 
C11 C12 C13 120.09(19) . . ? 
C12 C13 C14 120.9(2) . . ? 
C15 C14 C13 118.2(2) . . ? 
C15 C14 C17 121.3(2) . . ? 
C13 C14 C17 120.5(2) . . ? 
C14 C15 C16 121.3(2) . . ? 
C15 C16 C11 119.9(2) . . ? 
C22 C21 C26 119.08(19) . . ? 
C22 C21 N3 123.64(19) . . ? 
C26 C21 N3 117.3(2) . . ? 
C21 C22 C23 119.9(2) . . ? 
C22 C23 C24 121.6(2) . . ? 
C25 C24 C23 117.9(2) . . ? 
C25 C24 C27 120.9(2) . . ? 
C23 C24 C27 121.3(2) . . ? 
C24 C25 C26 121.2(2) . . ? 
C25 C26 C21 120.4(2) . . ? 
C36 C31 C32 118.79(18) . . ? 
C36 C31 N4 118.39(18) . . ? 
C32 C31 N4 122.74(18) . . ? 
C33 C32 C31 119.7(2) . . ? 
C34 C33 C32 121.8(2) . . ? 
C35 C34 C33 118.01(18) . . ? 
C35 C34 C37 120.8(2) . . ? 
C33 C34 C37 121.2(2) . . ? 
C34 C35 C36 121.1(2) . . ? 
C35 C36 C31 120.5(2) . . ? 

_diffrn_measured_fraction_theta_max    0.989 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full   0.989 
_refine_diff_density_max    0.705 
_refine_diff_density_min   -0.225 
_refine_diff_density_rms    0.065 

data_2 
_database_code_CSD                  173465

_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C44 H44 Cl2 N10 O2 Rh2' 
_chemical_formula_weight          1021.61 

loop_ 
_atom_type_symbol 
_atom_type_description 
_atom_type_scat_dispersion_real 
_atom_type_scat_dispersion_imag 
_atom_type_scat_source 
'C'  'C'   0.0033   0.0016 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'H'  'H'   0.0000   0.0000 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'N'  'N'   0.0061   0.0033 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Cl'  'Cl'   0.1484   0.1585 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Rh'  'Rh'  -1.1178   0.9187 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 

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

_cell_length_a                    19.293(3) 
_cell_length_b                    18.266(4) 
_cell_length_c                    26.178(3) 
_cell_angle_alpha                 90.000(13) 
_cell_angle_beta                  102.562(13) 
_cell_angle_gamma                 90.000(11) 
_cell_volume                      9004(3) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     152 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        Plate 
_exptl_crystal_colour             'Dark brown' 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.3 
_exptl_crystal_size_min           0.3 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.507 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              4144 
_exptl_absorpt_coefficient_mu     0.900 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.3079 
_exptl_absorpt_correction_T_max   0.3468 
_exptl_absorpt_process_details    'SADABS (Sheldrick 1996)' 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       173(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        'omega scans with narrow frames' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         none 
_diffrn_reflns_number             24165 
_diffrn_reflns_av_R_equivalents   0.0571 
_diffrn_reflns_av_sigmaI/netI     0.0620 
_diffrn_reflns_limit_h_min        -22 
_diffrn_reflns_limit_h_max        21 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        31 
_diffrn_reflns_theta_min          1.55 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              7922 
_reflns_number_gt                 5188 
_reflns_threshold_expression      >2sigma(I) 

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

_refine_special_details 
; 
Refinement of 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^)+(0.0523P)^2^+0.0000P] 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          7922 
_refine_ls_number_parameters      547 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0750 
_refine_ls_R_factor_gt            0.0398 
_refine_ls_wR_factor_ref          0.1024 
_refine_ls_wR_factor_gt           0.0908 
_refine_ls_goodness_of_fit_ref    0.961 
_refine_ls_restrained_S_all       0.961 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_adp_type 
_atom_site_occupancy 
_atom_site_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Rh1 Rh 0.203982(16) 0.202923(19) 0.124798(13) 0.02823(11) Uani 1 1 d . . . 
Rh2 Rh 0.092733(16) 0.206878(19) 0.053655(13) 0.02776(11) Uani 1 1 d . . . 
O1 O 0.2835(2) 0.1808(2) 0.04014(17) 0.0705(12) Uani 1 1 d . . . 
O2 O 0.1256(3) 0.1849(2) -0.04863(17) 0.0802(14) Uani 1 1 d . . . 
N6 N 0.04544(18) 0.24140(19) 0.11562(14) 0.0293(8) Uani 1 1 d . . . 
N5 N 0.07255(18) 0.23873(19) 0.16533(14) 0.0282(8) Uani 1 1 d . . . 
N4 N 0.13908(18) 0.21818(19) 0.17810(14) 0.0299(8) Uani 1 1 d . . . 
N9 N 0.11576(18) 0.3161(2) 0.04560(14) 0.0307(9) Uani 1 1 d . . . 
N8 N 0.16469(18) 0.3511(2) 0.07806(14) 0.0313(9) Uani 1 1 d . . . 
N7 N 0.20665(17) 0.31414(19) 0.11473(14) 0.0289(9) Uani 1 1 d . . . 
N1 N 0.07803(18) 0.10286(19) 0.07821(13) 0.0292(8) Uani 1 1 d . . . 
N2 N 0.12443(18) 0.06330(19) 0.11021(14) 0.0294(8) Uani 1 1 d . . . 
N3 N 0.18573(18) 0.09272(19) 0.13008(13) 0.0289(8) Uani 1 1 d . . . 
N10 N 0.0992(2) 0.1869(2) -0.01257(17) 0.0464(11) Uani 1 1 d . . . 
C1 C 0.2555(3) 0.1891(3) 0.0739(2) 0.0455(13) Uani 1 1 d . . . 
C11 C -0.0243(2) 0.2724(2) 0.10393(17) 0.0284(10) Uani 1 1 d . . . 
C12 C -0.0725(2) 0.2495(3) 0.05903(18) 0.0384(12) Uani 1 1 d . . . 
H12 H -0.0592 0.2124 0.0375 0.046 Uiso 1 1 calc R . . 
C13 C -0.1391(2) 0.2800(3) 0.04566(19) 0.0410(12) Uani 1 1 d . . . 
H13 H -0.1709 0.2637 0.0148 0.049 Uiso 1 1 calc R . . 
C14 C -0.1609(2) 0.3331(3) 0.07531(19) 0.0391(12) Uani 1 1 d . . . 
C15 C -0.1127(2) 0.3559(3) 0.12011(19) 0.0440(13) Uani 1 1 d . . . 
H15 H -0.1263 0.3930 0.1414 0.053 Uiso 1 1 calc R . . 
C16 C -0.0455(2) 0.3257(3) 0.13424(18) 0.0351(11) Uani 1 1 d . . . 
H16 H -0.0138 0.3419 0.1652 0.042 Uiso 1 1 calc R . . 
C17 C -0.2347(3) 0.3652(3) 0.0611(2) 0.0557(15) Uani 1 1 d . . . 
H17A H -0.2533 0.3605 0.0233 0.084 Uiso 1 1 calc R . . 
H17B H -0.2329 0.4171 0.0709 0.084 Uiso 1 1 calc R . . 
H17C H -0.2658 0.3389 0.0799 0.084 Uiso 1 1 calc R . . 
C21 C 0.1639(2) 0.2051(2) 0.23266(16) 0.0303(10) Uani 1 1 d . . . 
C22 C 0.1188(3) 0.1914(3) 0.26625(18) 0.0435(13) Uani 1 1 d . . . 
H22 H 0.0688 0.1919 0.2532 0.052 Uiso 1 1 calc R . . 
C23 C 0.1462(3) 0.1771(3) 0.3186(2) 0.0522(14) Uani 1 1 d . . . 
H23 H 0.1143 0.1691 0.3411 0.063 Uiso 1 1 calc R . . 
C24 C 0.2183(3) 0.1741(3) 0.33924(18) 0.0450(13) Uani 1 1 d . . . 
C25 C 0.2625(3) 0.1881(3) 0.3059(2) 0.0489(14) Uani 1 1 d . . . 
H25 H 0.3125 0.1866 0.3190 0.059 Uiso 1 1 calc R . . 
C26 C 0.2361(2) 0.2046(3) 0.25294(19) 0.0443(12) Uani 1 1 d . . . 
H26 H 0.2680 0.2154 0.2310 0.053 Uiso 1 1 calc R . . 
C27 C 0.2480(3) 0.1536(3) 0.3957(2) 0.0678(18) Uani 1 1 d . . . 
H27A H 0.2742 0.1075 0.3972 0.102 Uiso 1 1 calc R . . 
H27B H 0.2089 0.1477 0.4139 0.102 Uiso 1 1 calc R . . 
H27C H 0.2800 0.1923 0.4128 0.102 Uiso 1 1 calc R . . 
C31 C 0.0763(2) 0.3628(2) 0.00530(17) 0.0312(10) Uani 1 1 d . . . 
C32 C 0.0131(3) 0.3394(3) -0.0250(2) 0.0517(14) Uani 1 1 d . . . 
H32 H -0.0049 0.2927 -0.0185 0.062 Uiso 1 1 calc R . . 
C33 C -0.0250(3) 0.3823(3) -0.0649(2) 0.0541(15) Uani 1 1 d . . . 
H33 H -0.0688 0.3645 -0.0851 0.065 Uiso 1 1 calc R . . 
C34 C -0.0010(3) 0.4499(3) -0.07606(19) 0.0467(13) Uani 1 1 d . . . 
C35 C 0.0627(3) 0.4738(3) -0.0445(2) 0.0530(15) Uani 1 1 d . . . 
H35 H 0.0805 0.5208 -0.0505 0.064 Uiso 1 1 calc R . . 
C36 C 0.1005(3) 0.4310(3) -0.0048(2) 0.0469(13) Uani 1 1 d . . . 
H36 H 0.1438 0.4488 0.0159 0.056 Uiso 1 1 calc R . . 
C37 C -0.0408(3) 0.4966(3) -0.1201(2) 0.0667(18) Uani 1 1 d . . . 
H37A H -0.0810 0.4688 -0.1403 0.100 Uiso 1 1 calc R . . 
H37B H -0.0090 0.5107 -0.1429 0.100 Uiso 1 1 calc R . . 
H37C H -0.0584 0.5406 -0.1057 0.100 Uiso 1 1 calc R . . 
C41 C 0.2555(2) 0.3600(2) 0.14879(17) 0.0314(11) Uani 1 1 d . . . 
C42 C 0.2412(2) 0.4328(3) 0.15785(17) 0.0357(11) Uani 1 1 d . . . 
H42 H 0.1973 0.4538 0.1406 0.043 Uiso 1 1 calc R . . 
C43 C 0.2901(3) 0.4746(3) 0.19149(18) 0.0434(13) Uani 1 1 d . . . 
H43 H 0.2791 0.5243 0.1970 0.052 Uiso 1 1 calc R . . 
C44 C 0.3552(2) 0.4465(3) 0.21777(18) 0.0410(12) Uani 1 1 d . . . 
C45 C 0.3691(2) 0.3745(3) 0.20822(19) 0.0445(13) Uani 1 1 d . . . 
H45 H 0.4131 0.3538 0.2256 0.053 Uiso 1 1 calc R . . 
C46 C 0.3209(2) 0.3308(3) 0.17399(19) 0.0412(12) Uani 1 1 d . . . 
H46 H 0.3324 0.2815 0.1678 0.049 Uiso 1 1 calc R . . 
C47 C 0.4077(3) 0.4931(3) 0.2544(2) 0.0562(15) Uani 1 1 d . . . 
H47A H 0.4428 0.4617 0.2768 0.084 Uiso 1 1 calc R . . 
H47B H 0.3828 0.5223 0.2762 0.084 Uiso 1 1 calc R . . 
H47C H 0.4317 0.5258 0.2342 0.084 Uiso 1 1 calc R . . 
C51 C 0.0094(2) 0.0694(2) 0.06592(17) 0.0286(10) Uani 1 1 d . . . 
C52 C -0.0317(2) 0.0752(2) 0.01544(17) 0.0309(10) Uani 1 1 d . . . 
H52 H -0.0135 0.1000 -0.0108 0.037 Uiso 1 1 calc R . . 
C53 C -0.0992(2) 0.0448(2) 0.00329(18) 0.0340(11) Uani 1 1 d . . . 
H53 H -0.1267 0.0488 -0.0314 0.041 Uiso 1 1 calc R . . 
C54 C -0.1271(2) 0.0089(3) 0.0405(2) 0.0388(12) Uani 1 1 d . . . 
C55 C -0.0851(3) 0.0031(3) 0.0908(2) 0.0476(13) Uani 1 1 d . . . 
H55 H -0.1027 -0.0226 0.1168 0.057 Uiso 1 1 calc R . . 
C56 C -0.0183(2) 0.0339(3) 0.10343(18) 0.0407(12) Uani 1 1 d . . . 
H56 H 0.0089 0.0307 0.1383 0.049 Uiso 1 1 calc R . . 
C57 C -0.2013(2) -0.0236(3) 0.0269(2) 0.0534(15) Uani 1 1 d . . . 
H57A H -0.2362 0.0140 0.0304 0.080 Uiso 1 1 calc R . . 
H57B H -0.2045 -0.0643 0.0507 0.080 Uiso 1 1 calc R . . 
H57C H -0.2112 -0.0417 -0.0092 0.080 Uiso 1 1 calc R . . 
C61 C 0.2348(2) 0.0428(2) 0.16075(17) 0.0310(10) Uani 1 1 d . . . 
C62 C 0.3024(2) 0.0678(3) 0.1829(2) 0.0487(14) Uani 1 1 d . . . 
H62 H 0.3150 0.1167 0.1767 0.058 Uiso 1 1 calc R . . 
C63 C 0.3519(3) 0.0228(3) 0.2140(2) 0.0473(13) Uani 1 1 d . . . 
H63 H 0.3979 0.0414 0.2288 0.057 Uiso 1 1 calc R . . 
C64 C 0.3356(2) -0.0487(3) 0.22405(18) 0.0380(12) Uani 1 1 d . . . 
C65 C 0.2680(2) -0.0737(3) 0.20127(19) 0.0396(12) Uani 1 1 d . . . 
H65 H 0.2553 -0.1226 0.2075 0.048 Uiso 1 1 calc R . . 
C66 C 0.2186(2) -0.0287(3) 0.16954(17) 0.0345(11) Uani 1 1 d . . . 
H66 H 0.1731 -0.0476 0.1537 0.041 Uiso 1 1 calc R . . 
C67 C 0.3890(3) -0.0983(3) 0.25805(19) 0.0468(13) Uani 1 1 d . . . 
H67A H 0.4345 -0.0727 0.2684 0.070 Uiso 1 1 calc R . . 
H67B H 0.3952 -0.1426 0.2385 0.070 Uiso 1 1 calc R . . 
H67C H 0.3719 -0.1116 0.2894 0.070 Uiso 1 1 calc R . . 
C101 C -0.0096(9) 0.2131(10) -0.1396(5) 0.273(10) Uani 1 1 d . . . 
H10A H 0.0250 0.2362 -0.1106 0.327 Uiso 1 1 calc R . . 
H10B H 0.0131 0.1687 -0.1502 0.327 Uiso 1 1 calc R . . 
Cl1 Cl -0.0242(2) 0.2700(3) -0.18925(17) 0.247(2) Uani 1 1 d . . . 
Cl2 Cl -0.08166(19) 0.18616(17) -0.11586(16) 0.1962(17) Uani 1 1 d . . . 

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 
Rh1 0.02239(19) 0.0267(2) 0.0340(2) 0.00110(16) 0.00260(15) 0.00082(15) 
Rh2 0.02388(19) 0.0274(2) 0.0309(2) 0.00144(16) 0.00358(15) 0.00028(16) 
O1 0.058(3) 0.078(3) 0.088(3) -0.016(2) 0.043(2) -0.007(2) 
O2 0.110(4) 0.087(3) 0.060(3) -0.009(2) 0.053(3) -0.009(3) 
N6 0.026(2) 0.028(2) 0.034(2) 0.0003(16) 0.0052(17) 0.0010(16) 
N5 0.027(2) 0.027(2) 0.030(2) 0.0014(16) 0.0052(17) 0.0002(16) 
N4 0.030(2) 0.029(2) 0.030(2) 0.0005(16) 0.0025(16) -0.0021(16) 
N9 0.0248(19) 0.033(2) 0.034(2) 0.0055(17) 0.0045(17) 0.0011(16) 
N8 0.024(2) 0.033(2) 0.034(2) 0.0027(17) 0.0022(18) -0.0012(17) 
N7 0.025(2) 0.029(2) 0.032(2) 0.0004(16) 0.0036(17) -0.0044(16) 
N1 0.028(2) 0.028(2) 0.031(2) -0.0019(16) 0.0048(17) -0.0007(16) 
N2 0.028(2) 0.025(2) 0.034(2) 0.0034(17) 0.0032(18) 0.0034(16) 
N3 0.0236(19) 0.026(2) 0.034(2) -0.0014(16) 0.0002(17) 0.0005(16) 
N10 0.064(3) 0.032(3) 0.047(3) -0.0016(19) 0.021(2) -0.003(2) 
C1 0.041(3) 0.031(3) 0.068(4) -0.004(3) 0.020(3) -0.003(2) 
C11 0.030(2) 0.025(2) 0.030(3) 0.0026(19) 0.006(2) 0.0007(19) 
C12 0.034(3) 0.045(3) 0.035(3) -0.010(2) 0.003(2) 0.009(2) 
C13 0.031(3) 0.050(3) 0.039(3) -0.006(2) 0.000(2) 0.002(2) 
C14 0.029(3) 0.043(3) 0.043(3) 0.000(2) 0.002(2) 0.008(2) 
C15 0.041(3) 0.047(3) 0.042(3) -0.009(2) 0.004(2) 0.015(2) 
C16 0.035(3) 0.035(3) 0.033(3) -0.003(2) 0.001(2) 0.003(2) 
C17 0.043(3) 0.067(4) 0.052(3) -0.006(3) -0.002(3) 0.023(3) 
C21 0.034(2) 0.024(2) 0.030(2) -0.001(2) 0.001(2) 0.000(2) 
C22 0.039(3) 0.055(4) 0.036(3) 0.009(2) 0.006(2) 0.014(2) 
C23 0.064(4) 0.057(4) 0.040(3) 0.010(3) 0.021(3) 0.021(3) 
C24 0.063(4) 0.042(3) 0.027(3) -0.005(2) 0.004(3) 0.016(3) 
C25 0.045(3) 0.049(4) 0.044(3) 0.005(2) -0.010(3) -0.003(3) 
C26 0.036(3) 0.054(3) 0.040(3) 0.005(3) 0.001(2) -0.002(3) 
C27 0.086(4) 0.073(5) 0.038(3) 0.002(3) -0.002(3) 0.020(4) 
C31 0.028(2) 0.031(3) 0.034(3) 0.004(2) 0.005(2) 0.000(2) 
C32 0.053(3) 0.040(3) 0.058(4) 0.009(3) 0.002(3) -0.007(3) 
C33 0.042(3) 0.050(4) 0.059(4) 0.010(3) -0.016(3) -0.005(3) 
C34 0.047(3) 0.045(3) 0.045(3) 0.014(2) 0.001(3) 0.008(3) 
C35 0.054(3) 0.039(3) 0.058(3) 0.020(3) -0.005(3) -0.008(3) 
C36 0.035(3) 0.046(3) 0.052(3) 0.013(3) -0.006(2) -0.007(2) 
C37 0.060(4) 0.063(4) 0.064(4) 0.023(3) -0.014(3) 0.003(3) 
C41 0.027(2) 0.037(3) 0.030(3) 0.006(2) 0.006(2) -0.005(2) 
C42 0.036(3) 0.034(3) 0.037(3) 0.000(2) 0.009(2) 0.001(2) 
C43 0.048(3) 0.037(3) 0.044(3) -0.006(2) 0.008(3) -0.008(2) 
C44 0.037(3) 0.054(3) 0.033(3) -0.001(2) 0.009(2) -0.018(2) 
C45 0.032(3) 0.059(4) 0.041(3) -0.002(3) 0.004(2) -0.009(2) 
C46 0.038(3) 0.035(3) 0.047(3) 0.002(2) 0.001(2) 0.003(2) 
C47 0.045(3) 0.065(4) 0.057(4) -0.018(3) 0.005(3) -0.019(3) 
C51 0.025(2) 0.023(2) 0.036(3) -0.004(2) 0.002(2) 0.0033(19) 
C52 0.032(3) 0.027(3) 0.033(3) 0.002(2) 0.005(2) 0.003(2) 
C53 0.030(2) 0.033(3) 0.035(3) -0.005(2) -0.002(2) 0.004(2) 
C54 0.029(3) 0.032(3) 0.055(3) -0.001(2) 0.008(2) -0.003(2) 
C55 0.040(3) 0.054(4) 0.048(3) 0.011(3) 0.010(3) -0.012(3) 
C56 0.034(3) 0.052(3) 0.032(3) 0.008(2) -0.002(2) 0.002(2) 
C57 0.035(3) 0.052(4) 0.069(4) 0.006(3) 0.002(3) -0.009(3) 
C61 0.028(2) 0.030(3) 0.033(3) -0.001(2) 0.004(2) 0.005(2) 
C62 0.038(3) 0.026(3) 0.074(4) 0.000(3) -0.005(3) -0.004(2) 
C63 0.040(3) 0.036(3) 0.057(3) 0.002(2) -0.010(3) 0.001(2) 
C64 0.041(3) 0.036(3) 0.034(3) -0.006(2) 0.002(2) 0.011(2) 
C65 0.040(3) 0.028(3) 0.052(3) 0.003(2) 0.011(2) 0.003(2) 
C66 0.030(2) 0.034(3) 0.039(3) -0.005(2) 0.006(2) 0.000(2) 
C67 0.050(3) 0.045(3) 0.042(3) 0.001(2) 0.001(3) 0.013(3) 
C101 0.288(19) 0.46(3) 0.099(9) 0.059(13) 0.111(12) 0.134(19) 
Cl1 0.262(5) 0.330(6) 0.167(3) -0.090(4) 0.088(3) -0.038(4) 
Cl2 0.186(3) 0.113(2) 0.238(4) 0.016(2) -0.069(3) -0.024(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 
Rh1 C1 1.843(6) . ? 
Rh1 N7 2.051(4) . ? 
Rh1 N3 2.053(4) . ? 
Rh1 N4 2.086(4) . ? 
Rh1 Rh2 2.5182(6) . ? 
Rh2 N10 1.803(4) . ? 
Rh2 N1 2.045(4) . ? 
Rh2 N9 2.064(4) . ? 
Rh2 N6 2.123(4) . ? 
O1 C1 1.143(6) . ? 
O2 N10 1.166(5) . ? 
N6 N5 1.294(5) . ? 
N6 C11 1.430(5) . ? 
N5 N4 1.309(5) . ? 
N4 C21 1.424(5) . ? 
N9 N8 1.294(5) . ? 
N9 C31 1.440(5) . ? 
N8 N7 1.302(5) . ? 
N7 C41 1.421(5) . ? 
N1 N2 1.303(4) . ? 
N1 C51 1.430(5) . ? 
N2 N3 1.300(4) . ? 
N3 C61 1.429(5) . ? 
C11 C16 1.373(6) . ? 
C11 C12 1.396(6) . ? 
C12 C13 1.373(6) . ? 
C13 C14 1.365(6) . ? 
C14 C15 1.392(6) . ? 
C14 C17 1.510(6) . ? 
C15 C16 1.383(6) . ? 
C21 C26 1.380(6) . ? 
C21 C22 1.387(6) . ? 
C22 C23 1.383(7) . ? 
C23 C24 1.379(7) . ? 
C24 C25 1.372(7) . ? 
C24 C27 1.512(6) . ? 
C25 C26 1.402(6) . ? 
C31 C32 1.370(6) . ? 
C31 C36 1.376(6) . ? 
C32 C33 1.382(7) . ? 
C33 C34 1.373(7) . ? 
C34 C35 1.393(7) . ? 
C34 C37 1.504(6) . ? 
C35 C36 1.375(6) . ? 
C41 C42 1.389(6) . ? 
C41 C46 1.395(6) . ? 
C42 C43 1.374(6) . ? 
C43 C44 1.393(7) . ? 
C44 C45 1.376(7) . ? 
C44 C47 1.499(6) . ? 
C45 C46 1.394(6) . ? 
C51 C56 1.377(6) . ? 
C51 C52 1.389(6) . ? 
C52 C53 1.389(6) . ? 
C53 C54 1.376(6) . ? 
C54 C55 1.393(7) . ? 
C54 C57 1.519(6) . ? 
C55 C56 1.380(6) . ? 
C61 C66 1.374(6) . ? 
C61 C62 1.385(6) . ? 
C62 C63 1.382(6) . ? 
C63 C64 1.383(7) . ? 
C64 C65 1.388(6) . ? 
C64 C67 1.507(6) . ? 
C65 C66 1.389(6) . ? 
C101 Cl1 1.639(13) . ? 
C101 Cl2 1.713(15) . ? 

loop_ 
_geom_angle_atom_site_label_1 
_geom_angle_atom_site_label_2 
_geom_angle_atom_site_label_3 
_geom_angle 
_geom_angle_site_symmetry_1 
_geom_angle_site_symmetry_3 
_geom_angle_publ_flag 
C1 Rh1 N7 90.57(18) . . ? 
C1 Rh1 N3 92.40(18) . . ? 
N7 Rh1 N3 171.62(13) . . ? 
C1 Rh1 N4 175.86(19) . . ? 
N7 Rh1 N4 89.38(14) . . ? 
N3 Rh1 N4 87.09(14) . . ? 
C1 Rh1 Rh2 88.63(17) . . ? 
N7 Rh1 Rh2 85.28(9) . . ? 
N3 Rh1 Rh2 86.96(9) . . ? 
N4 Rh1 Rh2 87.24(10) . . ? 
N10 Rh2 N1 99.04(16) . . ? 
N10 Rh2 N9 92.08(16) . . ? 
N1 Rh2 N9 167.80(14) . . ? 
N10 Rh2 N6 157.92(17) . . ? 
N1 Rh2 N6 85.62(14) . . ? 
N9 Rh2 N6 85.92(14) . . ? 
N10 Rh2 Rh1 118.62(14) . . ? 
N1 Rh2 Rh1 83.98(9) . . ? 
N9 Rh2 Rh1 86.30(10) . . ? 
N6 Rh2 Rh1 83.24(9) . . ? 
N5 N6 C11 112.7(3) . . ? 
N5 N6 Rh2 127.6(3) . . ? 
C11 N6 Rh2 119.7(3) . . ? 
N6 N5 N4 115.3(3) . . ? 
N5 N4 C21 113.6(4) . . ? 
N5 N4 Rh1 124.4(3) . . ? 
C21 N4 Rh1 121.9(3) . . ? 
N8 N9 C31 112.4(4) . . ? 
N8 N9 Rh2 123.6(3) . . ? 
C31 N9 Rh2 123.8(3) . . ? 
N9 N8 N7 118.3(4) . . ? 
N8 N7 C41 112.2(3) . . ? 
N8 N7 Rh1 125.5(3) . . ? 
C41 N7 Rh1 122.3(3) . . ? 
N2 N1 C51 112.4(3) . . ? 
N2 N1 Rh2 126.5(3) . . ? 
C51 N1 Rh2 120.7(3) . . ? 
N3 N2 N1 117.8(3) . . ? 
N2 N3 C61 113.2(3) . . ? 
N2 N3 Rh1 122.2(3) . . ? 
C61 N3 Rh1 124.1(3) . . ? 
O2 N10 Rh2 156.7(4) . . ? 
O1 C1 Rh1 175.8(5) . . ? 
C16 C11 C12 118.1(4) . . ? 
C16 C11 N6 122.8(4) . . ? 
C12 C11 N6 119.0(4) . . ? 
C13 C12 C11 120.5(4) . . ? 
C14 C13 C12 122.0(4) . . ? 
C13 C14 C15 117.3(4) . . ? 
C13 C14 C17 121.8(4) . . ? 
C15 C14 C17 120.8(4) . . ? 
C16 C15 C14 121.4(4) . . ? 
C11 C16 C15 120.5(4) . . ? 
C26 C21 C22 118.4(4) . . ? 
C26 C21 N4 118.5(4) . . ? 
C22 C21 N4 123.1(4) . . ? 
C23 C22 C21 120.4(5) . . ? 
C24 C23 C22 122.1(5) . . ? 
C25 C24 C23 117.3(4) . . ? 
C25 C24 C27 120.9(5) . . ? 
C23 C24 C27 121.8(5) . . ? 
C24 C25 C26 121.8(5) . . ? 
C21 C26 C25 120.1(5) . . ? 
C32 C31 C36 117.9(4) . . ? 
C32 C31 N9 120.1(4) . . ? 
C36 C31 N9 122.1(4) . . ? 
C31 C32 C33 121.4(5) . . ? 
C34 C33 C32 121.4(5) . . ? 
C33 C34 C35 116.8(5) . . ? 
C33 C34 C37 122.2(5) . . ? 
C35 C34 C37 121.0(5) . . ? 
C36 C35 C34 121.5(5) . . ? 
C35 C36 C31 120.9(5) . . ? 
C42 C41 C46 118.5(4) . . ? 
C42 C41 N7 122.8(4) . . ? 
C46 C41 N7 118.7(4) . . ? 
C43 C42 C41 120.5(5) . . ? 
C42 C43 C44 122.1(5) . . ? 
C45 C44 C43 117.0(4) . . ? 
C45 C44 C47 121.9(5) . . ? 
C43 C44 C47 121.2(5) . . ? 
C44 C45 C46 122.3(5) . . ? 
C45 C46 C41 119.6(5) . . ? 
C56 C51 C52 119.0(4) . . ? 
C56 C51 N1 121.6(4) . . ? 
C52 C51 N1 119.3(4) . . ? 
C51 C52 C53 120.0(4) . . ? 
C54 C53 C52 121.4(4) . . ? 
C53 C54 C55 117.9(4) . . ? 
C53 C54 C57 121.0(4) . . ? 
C55 C54 C57 121.1(5) . . ? 
C56 C55 C54 121.1(5) . . ? 
C51 C56 C55 120.5(4) . . ? 
C66 C61 C62 118.1(4) . . ? 
C66 C61 N3 123.6(4) . . ? 
C62 C61 N3 118.2(4) . . ? 
C63 C62 C61 121.2(5) . . ? 
C62 C63 C64 121.2(5) . . ? 
C63 C64 C65 117.4(4) . . ? 
C63 C64 C67 121.7(4) . . ? 
C65 C64 C67 120.9(4) . . ? 
C64 C65 C66 121.4(5) . . ? 
C61 C66 C65 120.7(4) . . ? 
Cl1 C101 Cl2 117.2(10) . . ? 

_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.921 
_refine_diff_density_min   -0.766 
_refine_diff_density_rms    0.083