# Copyright The Royal Society of Chemistry, 1998.

data_ipds146 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 

\m-propane-1,3-diyl-bis[bis(dimethylglyoximato-N,N')(triphenylpho
sphine)
 rhodium(III)]
 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C55 H64 N8 O8 P2 Rh2' 
_chemical_formula_weight          1232.90 
_chemical_melting_point           '180-190 \%C decomp.' 
_chemical_compound_source         'see text' 
 
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' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Rh'  'Rh'  -1.1178   0.9187 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    'P -1' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    12.405(3) 
_cell_length_b                    15.004(6) 
_cell_length_c                    16.292(4) 
_cell_angle_alpha                 108.61(3) 
_cell_angle_beta                  98.53(2) 
_cell_angle_gamma                 96.58(3) 
_cell_volume                      2799.2(15) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     2000 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.2 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       none 
_exptl_crystal_density_diffrn     1.463 
_exptl_crystal_density_method     none 
_exptl_crystal_F_000              1268 
_exptl_absorpt_coefficient_mu     0.707 
_exptl_absorpt_correction_type    numerical 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(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        'STOE Image Plate Detection System' 
_diffrn_measurement_method        
;
 The reciprocical space was scanned with 133 images each of which
 with an exposure time of 5 min and a rotation angle of 1.5
degrees.
;
_diffrn_standards_number          'max. 50 per image' 
_diffrn_standards_interval_count  none 
_diffrn_standards_interval_time   none 
_diffrn_standards_decay_%         <1 
_diffrn_reflns_number             23437 
_diffrn_reflns_av_R_equivalents   0.0608 
_diffrn_reflns_av_sigmaI/netI     0.0445 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          1.94 
_diffrn_reflns_theta_max          24.03 
_reflns_number_total              8232 
_reflns_number_observed           6784 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection
;
 Stoe IPDS-software (STOE publication 4805-010, 1996)
;
_computing_cell_refinement
;
 Stoe IPDS-software (STOE publication 4805-010, 1996)
;
_computing_data_reduction
;
 Stoe IPDS-software (STOE publication 4805-010, 1996)
;
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'ORTEPIII (Johnson, C. K., 1997)' 
_computing_publication_material   'SHELXL-93 (Sheldrick, 1993)' 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very
negative F^2^ 
 or flagged by the user for potential systematic errors. 
Weighted R-factors 
 wR and all goodnesses 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
observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating
_R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0527P)^2^+0.4946P] 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     'riding model' 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        none 
_refine_ls_number_reflns          8232 
_refine_ls_number_parameters      676 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0478 
_refine_ls_R_factor_obs           0.0359 
_refine_ls_wR_factor_all          0.0923 
_refine_ls_wR_factor_obs          0.0868 
_refine_ls_goodness_of_fit_all    1.054 
_refine_ls_goodness_of_fit_obs    1.101 
_refine_ls_restrained_S_all       1.054 
_refine_ls_restrained_S_obs       1.101 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
C1 C 0.0430(4) 0.2390(4) 0.1803(3) 0.0802(15) Uani 1 d . . 
H1A H 0.0592(4) 0.2869(4) 0.2380(3) 0.096 Uiso 1 calc R . 
H1B H 0.0180(4) 0.1780(4) 0.1846(3) 0.096 Uiso 1 calc R . 
H1C H -0.0138(4) 0.2545(4) 0.1429(3) 0.096 Uiso 1 calc R . 
C2 C 0.1439(3) 0.2351(3) 0.1421(2) 0.0514(10) Uani 1 d . . 
C3 C 0.2401(4) 0.1987(3) 0.1744(2) 0.0565(11) Uani 1 d . . 
C4 C 0.2418(5) 0.1562(4) 0.2455(3) 0.100(2) Uani 1 d . . 
H4A H 0.1798(5) 0.1053(4) 0.2295(3) 0.120 Uiso 1 calc R . 
H4B H 0.2374(5) 0.2043(4) 0.2997(3) 0.120 Uiso 1 calc R . 
H4C H 0.3093(5) 0.1316(4) 0.2531(3) 0.120 Uiso 1 calc R . 
C5 C 0.5890(4) 0.3380(4) -0.0567(3) 0.087(2) Uani 1 d . . 
H5A H 0.6277(4) 0.4013(4) -0.0222(3) 0.104 Uiso 1 calc R . 
H5B H 0.5801(4) 0.3299(4) -0.1183(3) 0.104 Uiso 1 calc R . 
H5C H 0.6308(4) 0.2921(4) -0.0445(3) 0.104 Uiso 1 calc R . 
C6 C 0.4777(3) 0.3238(3) -0.0332(3) 0.0521(10) Uani 1 d . . 
C7 C 0.3827(3) 0.3596(3) -0.0678(2) 0.0529(10) Uani 1 d . . 
C8 C 0.3873(4) 0.4151(4) -0.1286(3) 0.086(2) Uani 1 d . . 
H8A H 0.3981(4) 0.3745(4) -0.1847(3) 0.104 Uiso 1 calc R . 
H8B H 0.4476(4) 0.4679(4) -0.1039(3) 0.104 Uiso 1 calc R . 
H8C H 0.3191(4) 0.4385(4) -0.1367(3) 0.104 Uiso 1 calc R . 
C9 C 0.4409(5) 0.5775(4) 0.5801(3) 0.089(2) Uani 1 d . . 
H9A H 0.4366(5) 0.6252(4) 0.6346(3) 0.107 Uiso 1 calc R . 
H9B H 0.5164(5) 0.5688(4) 0.5801(3) 0.107 Uiso 1 calc R . 
H9C H 0.3963(5) 0.5182(4) 0.5742(3) 0.107 Uiso 1 calc R . 
C10 C 0.3997(4) 0.6086(3) 0.5047(2) 0.0567(11) Uani 1 d . . 
C11 C 0.4592(3) 0.6866(3) 0.4850(3) 0.0568(11) Uani 1 d . . 
C12 C 0.5691(4) 0.7426(4) 0.5384(4) 0.103(2) Uani 1 d . . 
H12A H 0.6009(4) 0.7090(4) 0.5745(4) 0.123 Uiso 1 calc R . 
H12B H 0.5594(4) 0.8041(4) 0.5755(4) 0.123 Uiso 1 calc R . 
H12C H 0.6175(4) 0.7507(4) 0.4995(4) 0.123 Uiso 1 calc R . 
C13 C 0.1007(4) 0.6312(4) 0.1102(3) 0.083(2) Uani 1 d . . 
H13A H 0.0274(4) 0.6461(4) 0.1040(3) 0.100 Uiso 1 calc R . 
H13B H 0.1026(4) 0.5732(4) 0.0637(3) 0.100 Uiso 1 calc R . 
H13C H 0.1519(4) 0.6823(4) 0.1066(3) 0.100 Uiso 1 calc R . 
C14 C 0.1325(3) 0.6188(3) 0.1981(2) 0.0496(10) Uani 1 d . . 
C15 C 0.0686(3) 0.5474(3) 0.2238(2) 0.0509(10) Uani 1 d . . 
C16 C -0.0399(3) 0.4894(3) 0.1712(3) 0.0749(14) Uani 1 d . . 
H16A H -0.0284(3) 0.4290(3) 0.1332(3) 0.090 Uiso 1 calc R . 
H16B H -0.0745(3) 0.5228(3) 0.1360(3) 0.090 Uiso 1 calc R . 
H16C H -0.0868(3) 0.4791(3) 0.2103(3) 0.090 Uiso 1 calc R . 
C17 C 0.1303(3) 0.0817(3) -0.1645(2) 0.0420(8) Uani 1 d . . 
C18 C 0.0612(3) 0.1476(3) -0.1646(3) 0.0541(10) Uani 1 d . . 
H18 H 0.0795(3) 0.2085(3) -0.1222(3) 0.065 Uiso 1 calc R . 
C19 C -0.0355(4) 0.1231(3) -0.2280(3) 0.0655(12) Uani 1 d . . 
H19 H -0.0816(4) 0.1679(3) -0.2274(3) 0.079 Uiso 1 calc R . 
C20 C -0.0642(4) 0.0342(4) -0.2911(3) 0.0672(13) Uani 1 d . . 
H20 H -0.1290(4) 0.0186(4) -0.3333(3) 0.081 Uiso 1 calc R . 
C21 C 0.0037(4) -0.0312(4) -0.2911(3) 0.0669(13) Uani 1 d . . 
H21 H -0.0156(4) -0.0919(4) -0.3337(3) 0.080 Uiso 1 calc R . 
C22 C 0.1011(3) -0.0089(3) -0.2288(2) 0.0562(10) Uani 1 d . . 
H22 H 0.1466(3) -0.0542(3) -0.2300(2) 0.067 Uiso 1 calc R . 
C23 C 0.3638(3) 0.0891(2) -0.1442(2) 0.0422(8) Uani 1 d . . 
C24 C 0.3538(4) 0.1061(3) -0.2234(3) 0.0650(12) Uani 1 d . . 
H24 H 0.2895(4) 0.1242(3) -0.2453(3) 0.078 Uiso 1 calc R . 
C25 C 0.4391(4) 0.0961(4) -0.2703(3) 0.083(2) Uani 1 d . . 
H25 H 0.4317(4) 0.1080(4) -0.3234(3) 0.100 Uiso 1 calc R . 
C26 C 0.5339(4) 0.0691(4) -0.2392(3) 0.080(2) Uani 1 d . . 
H26 H 0.5904(4) 0.0618(4) -0.2711(3) 0.096 Uiso 1 calc R . 
C27 C 0.5450(3) 0.0527(3) -0.1604(3) 0.0673(13) Uani 1 d . . 
H27 H 0.6089(3) 0.0333(3) -0.1394(3) 0.081 Uiso 1 calc R . 
C28 C 0.4624(3) 0.0646(3) -0.1121(3) 0.0534(10) Uani 1 d . . 
H28 H 0.4725(3) 0.0562(3) -0.0575(3) 0.064 Uiso 1 calc R . 
C29 C 0.2305(3) 0.0074(2) -0.0417(2) 0.0400(8) Uani 1 d . . 
C30 C 0.1505(3) 0.0109(3) 0.0096(2) 0.0507(10) Uani 1 d . . 
H30 H 0.1158(3) 0.0640(3) 0.0240(2) 0.061 Uiso 1 calc R . 
C31 C 0.1209(3) -0.0627(3) 0.0400(3) 0.0610(11) Uani 1 d . . 
H31 H 0.0666(3) -0.0591(3) 0.0741(3) 0.073 Uiso 1 calc R . 
C32 C 0.1715(4) -0.1401(3) 0.0200(3) 0.0666(12) Uani 1 d . . 
H32 H 0.1533(4) -0.1891(3) 0.0416(3) 0.080 Uiso 1 calc R . 
C33 C 0.2490(4) -0.1462(3) -0.0319(3) 0.0717(13) Uani 1 d . . 
H33 H 0.2815(4) -0.2006(3) -0.0473(3) 0.086 Uiso 1 calc R . 
C34 C 0.2796(3) -0.0730(3) -0.0616(3) 0.0588(11) Uani 1 d . . 
H34 H 0.3342(3) -0.0775(3) -0.0955(3) 0.071 Uiso 1 calc R . 
C35 C 0.0151(3) 0.7105(2) 0.4296(2) 0.0432(9) Uani 1 d . . 
C36 C -0.0291(3) 0.7225(3) 0.3519(3) 0.0574(10) Uani 1 d . . 
H36 H 0.0181(3) 0.7420(3) 0.3192(3) 0.069 Uiso 1 calc R . 
C37 C -0.1420(4) 0.7060(3) 0.3217(3) 0.0674(12) Uani 1 d . . 
H37 H -0.1704(4) 0.7157(3) 0.2697(3) 0.081 Uiso 1 calc R . 
C38 C -0.2120(4) 0.6757(4) 0.3682(4) 0.0772(14) Uani 1 d . . 
H38 H -0.2880(4) 0.6628(4) 0.3473(4) 0.093 Uiso 1 calc R . 
C39 C -0.1701(4) 0.6646(4) 0.4448(4) 0.097(2) Uani 1 d . . 
H39 H -0.2183(4) 0.6451(4) 0.4768(4) 0.116 Uiso 1 calc R . 
C40 C -0.0572(4) 0.6814(4) 0.4770(3) 0.0764(14) Uani 1 d . . 
H40 H -0.0301(4) 0.6732(4) 0.5300(3) 0.092 Uiso 1 calc R . 
C41 C 0.1969(3) 0.8633(2) 0.4787(2) 0.0430(8) Uani 1 d . . 
C42 C 0.2898(3) 0.9035(3) 0.4583(3) 0.0580(11) Uani 1 d . . 
H42 H 0.3357(3) 0.8643(3) 0.4299(3) 0.070 Uiso 1 calc R . 
C43 C 0.3165(4) 1.0021(3) 0.4793(3) 0.0723(13) Uani 1 d . . 
H43 H 0.3798(4) 1.0285(3) 0.4654(3) 0.087 Uiso 1 calc R . 
C44 C 0.2480(4) 1.0600(3) 0.5211(3) 0.0697(13) Uani 1 d . . 
H44 H 0.2655(4) 1.1258(3) 0.5359(3) 0.084 Uiso 1 calc R . 
C45 C 0.1559(4) 1.0212(3) 0.5404(3) 0.0699(13) Uani 1 d . . 
H45 H 0.1099(4) 1.0606(3) 0.5682(3) 0.084 Uiso 1 calc R . 
C46 C 0.1290(3) 0.9231(3) 0.5192(3) 0.0610(11) Uani 1 d . . 
H46 H 0.0647(3) 0.8974(3) 0.5324(3) 0.073 Uiso 1 calc R . 
C47 C 0.2032(3) 0.7308(3) 0.5716(2) 0.0478(9) Uani 1 d . . 
C48 C 0.2835(4) 0.8029(3) 0.6348(3) 0.0656(12) Uani 1 d . . 
H48 H 0.3108(4) 0.8564(3) 0.6222(3) 0.079 Uiso 1 calc R . 
C49 C 0.3223(5) 0.7952(4) 0.7152(3) 0.087(2) Uani 1 d . . 
H49 H 0.3782(5) 0.8418(4) 0.7559(3) 0.104 Uiso 1 calc R . 
C50 C 0.2782(5) 0.7183(5) 0.7349(3) 0.098(2) Uani 1 d . . 
H50 H 0.3012(5) 0.7155(5) 0.7909(3) 0.118 Uiso 1 calc R . 
C51 C 0.2006(5) 0.6451(4) 0.6741(3) 0.086(2) Uani 1 d . . 
H51 H 0.1733(5) 0.5926(4) 0.6882(3) 0.103 Uiso 1 calc R . 
C52 C 0.1636(4) 0.6508(3) 0.5910(3) 0.0628(11) Uani 1 d . . 
H52 H 0.1126(4) 0.6012(3) 0.5487(3) 0.075 Uiso 1 calc R . 
C53 C 0.3698(3) 0.3971(2) 0.1482(2) 0.0454(9) Uani 1 d . . 
H53A H 0.4304(3) 0.3860(2) 0.1867(2) 0.055 Uiso 1 calc R . 
H53B H 0.4013(3) 0.4420(2) 0.1228(2) 0.055 Uiso 1 calc R . 
C54 C 0.2937(3) 0.4456(2) 0.2053(2) 0.0473(9) Uani 1 d . . 
H54A H 0.2619(3) 0.4027(2) 0.2324(2) 0.057 Uiso 1 calc R . 
H54B H 0.2337(3) 0.4599(2) 0.1688(2) 0.057 Uiso 1 calc R . 
C55 C 0.3545(3) 0.5370(2) 0.2767(2) 0.0406(8) Uani 1 d . . 
H55A H 0.3930(3) 0.5754(2) 0.2485(2) 0.049 Uiso 1 calc R . 
H55B H 0.4105(3) 0.5204(2) 0.3148(2) 0.049 Uiso 1 calc R . 
N1 N 0.1588(2) 0.2673(2) 0.0784(2) 0.0434(7) Uani 1 d . . 
N2 N 0.3236(3) 0.2060(2) 0.1357(2) 0.0489(8) Uani 1 d . . 
N3 N 0.4579(2) 0.2796(2) 0.0205(2) 0.0452(7) Uani 1 d . . 
N4 N 0.2933(3) 0.3407(2) -0.0381(2) 0.0458(7) Uani 1 d . . 
N5 N 0.3077(3) 0.5676(2) 0.4488(2) 0.0468(8) Uani 1 d . . 
N6 N 0.4106(2) 0.7038(2) 0.4161(2) 0.0476(8) Uani 1 d . . 
N7 N 0.2194(3) 0.6669(2) 0.2558(2) 0.0436(7) Uani 1 d . . 
N8 N 0.1189(2) 0.5375(2) 0.2955(2) 0.0441(7) Uani 1 d . . 
O1 O 0.0816(2) 0.3095(2) 0.0443(2) 0.0580(7) Uani 1 d . . 
H1 H 0.1028(2) 0.3258(2) 0.0051(2) 0.070 Uiso 1 calc R . 
O2 O 0.4195(2) 0.1786(2) 0.1582(2) 0.0743(9) Uani 1 d . . 
O3 O 0.5364(2) 0.2461(2) 0.0622(2) 0.0640(8) Uani 1 d . . 
H3 H 0.5094(2) 0.2202(2) 0.0936(2) 0.077 Uiso 1 calc R . 
O4 O 0.1995(2) 0.3734(2) -0.0569(2) 0.0621(7) Uani 1 d . . 
O5 O 0.2439(3) 0.4907(2) 0.4536(2) 0.0687(8) Uani 1 d . . 
H5 H 0.1891(3) 0.4735(2) 0.4137(2) 0.082 Uiso 1 calc R . 
O6 O 0.4572(2) 0.7657(2) 0.3832(2) 0.0649(8) Uani 1 d . . 
O7 O 0.2890(3) 0.7348(2) 0.2389(2) 0.0637(8) Uani 1 d . . 
H7 H 0.3406(3) 0.7596(2) 0.2811(2) 0.076 Uiso 1 calc R . 
O8 O 0.0766(2) 0.4731(2) 0.3291(2) 0.0613(7) Uani 1 d . . 
P1 P 0.25549(7) 0.10993(6) -0.07894(6) 0.0371(2) Uani 1 d . . 
P2 P 0.16670(8) 0.73447(6) 0.45998(6) 0.0392(2) Uani 1 d . . 
Rh1 Rh 0.30592(2) 0.26650(2) 0.04364(2) 0.03470(9) Uani 1 d . . 
Rh2 Rh 0.26168(2) 0.62438(2) 0.35820(2) 0.03352(9) Uani 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 
C1 0.073(3) 0.083(4) 0.068(3) 0.008(3) 0.028(2) -0.019(3) 
C2 0.055(2) 0.047(2) 0.039(2) 0.001(2) 0.011(2) -0.006(2) 
C3 0.068(3) 0.052(3) 0.039(2) 0.013(2) 0.002(2) -0.012(2) 
C4 0.101(4) 0.128(5) 0.065(3) 0.053(3) -0.011(3) -0.031(3) 
C5 0.073(3) 0.082(4) 0.099(4) 0.011(3) 0.050(3) 0.001(3) 
C6 0.053(2) 0.039(2) 0.050(2) -0.006(2) 0.023(2) -0.003(2) 
C7 0.065(3) 0.042(2) 0.045(2) 0.009(2) 0.014(2) -0.008(2) 
C8 0.104(4) 0.080(4) 0.073(3) 0.038(3) 0.014(3) -0.020(3) 
C9 0.115(4) 0.110(4) 0.052(3) 0.028(3) 0.004(3) 0.066(3) 
C10 0.076(3) 0.055(3) 0.036(2) 0.007(2) 0.003(2) 0.035(2) 
C11 0.050(2) 0.056(3) 0.048(2) -0.004(2) -0.001(2) 0.021(2) 
C12 0.062(3) 0.113(5) 0.096(4) 0.001(3) -0.017(3) 0.010(3) 
C13 0.112(4) 0.094(4) 0.051(3) 0.030(3) 0.001(3) 0.046(3) 
C14 0.063(3) 0.051(2) 0.037(2) 0.011(2) 0.013(2) 0.030(2) 
C15 0.051(2) 0.052(3) 0.041(2) 0.002(2) 0.004(2) 0.020(2) 
C16 0.058(3) 0.077(3) 0.065(3) -0.002(2) -0.008(2) 0.013(2) 
C17 0.043(2) 0.044(2) 0.036(2) 0.012(2) 0.006(2) 0.003(2) 
C18 0.059(2) 0.051(3) 0.047(2) 0.014(2) -0.002(2) 0.006(2) 
C19 0.062(3) 0.073(3) 0.065(3) 0.035(3) -0.002(2) 0.009(2) 
C20 0.059(3) 0.093(4) 0.047(3) 0.033(3) -0.005(2) -0.006(3) 
C21 0.067(3) 0.072(3) 0.040(2) 0.004(2) 0.003(2) -0.018(2) 
C22 0.056(2) 0.051(3) 0.050(2) 0.005(2) 0.008(2) 0.004(2) 
C23 0.046(2) 0.034(2) 0.039(2) 0.002(2) 0.010(2) 0.002(2) 
C24 0.055(2) 0.086(3) 0.052(3) 0.023(2) 0.011(2) 0.001(2) 
C25 0.077(3) 0.114(5) 0.054(3) 0.027(3) 0.025(3) -0.011(3) 
C26 0.064(3) 0.089(4) 0.072(3) 0.001(3) 0.036(3) -0.001(3) 
C27 0.050(2) 0.063(3) 0.079(3) 0.006(2) 0.021(2) 0.013(2) 
C28 0.056(2) 0.047(2) 0.051(2) 0.006(2) 0.015(2) 0.010(2) 
C29 0.045(2) 0.035(2) 0.035(2) 0.006(2) 0.005(2) 0.007(2) 
C30 0.048(2) 0.043(2) 0.055(2) 0.007(2) 0.014(2) 0.003(2) 
C31 0.059(3) 0.058(3) 0.068(3) 0.024(2) 0.023(2) -0.002(2) 
C32 0.061(3) 0.066(3) 0.084(3) 0.043(3) 0.013(3) 0.005(2) 
C33 0.071(3) 0.056(3) 0.107(4) 0.043(3) 0.030(3) 0.027(2) 
C34 0.063(3) 0.050(3) 0.073(3) 0.023(2) 0.031(2) 0.022(2) 
C35 0.049(2) 0.036(2) 0.043(2) 0.009(2) 0.013(2) 0.011(2) 
C36 0.058(3) 0.063(3) 0.054(3) 0.021(2) 0.012(2) 0.017(2) 
C37 0.058(3) 0.075(3) 0.066(3) 0.024(2) -0.001(2) 0.014(2) 
C38 0.050(3) 0.084(4) 0.099(4) 0.034(3) 0.006(3) 0.015(2) 
C39 0.063(3) 0.136(5) 0.124(5) 0.082(4) 0.035(3) 0.016(3) 
C40 0.058(3) 0.110(4) 0.085(3) 0.060(3) 0.021(3) 0.021(3) 
C41 0.056(2) 0.034(2) 0.036(2) 0.006(2) 0.010(2) 0.011(2) 
C42 0.069(3) 0.037(2) 0.068(3) 0.012(2) 0.023(2) 0.017(2) 
C43 0.079(3) 0.044(3) 0.091(3) 0.020(2) 0.021(3) 0.005(2) 
C44 0.094(3) 0.032(2) 0.073(3) 0.007(2) 0.008(3) 0.014(2) 
C45 0.087(3) 0.043(3) 0.072(3) 0.001(2) 0.019(3) 0.029(2) 
C46 0.063(3) 0.046(3) 0.069(3) 0.009(2) 0.021(2) 0.014(2) 
C47 0.059(2) 0.052(2) 0.033(2) 0.011(2) 0.013(2) 0.021(2) 
C48 0.079(3) 0.062(3) 0.045(2) 0.005(2) 0.003(2) 0.019(2) 
C49 0.096(4) 0.106(5) 0.044(3) 0.010(3) -0.002(3) 0.031(3) 
C50 0.115(5) 0.143(6) 0.039(3) 0.030(3) 0.008(3) 0.045(4) 
C51 0.097(4) 0.117(5) 0.072(3) 0.061(3) 0.030(3) 0.033(3) 
C52 0.069(3) 0.078(3) 0.049(2) 0.028(2) 0.017(2) 0.016(2) 
C53 0.048(2) 0.032(2) 0.042(2) -0.003(2) 0.007(2) 0.002(2) 
C54 0.052(2) 0.035(2) 0.046(2) 0.000(2) 0.011(2) 0.010(2) 
C55 0.045(2) 0.036(2) 0.037(2) 0.005(2) 0.010(2) 0.013(2) 
N1 0.037(2) 0.041(2) 0.043(2) 0.0018(14) 0.0084(14) 0.0050(13) 
N2 0.055(2) 0.038(2) 0.043(2) 0.0119(14) -0.007(2) -0.0016(14) 
N3 0.034(2) 0.039(2) 0.051(2) -0.0019(15) 0.0102(15) 0.0087(13) 
N4 0.054(2) 0.035(2) 0.045(2) 0.0108(14) 0.006(2) 0.0063(14) 
N5 0.070(2) 0.036(2) 0.041(2) 0.0161(14) 0.016(2) 0.020(2) 
N6 0.047(2) 0.033(2) 0.049(2) -0.0036(14) 0.009(2) 0.0070(14) 
N7 0.059(2) 0.042(2) 0.038(2) 0.0163(14) 0.020(2) 0.0189(15) 
N8 0.046(2) 0.035(2) 0.045(2) 0.0037(14) 0.013(2) 0.0043(13) 
O1 0.0442(15) 0.060(2) 0.066(2) 0.0130(14) 0.0096(14) 0.0199(13) 
O2 0.065(2) 0.068(2) 0.087(2) 0.037(2) -0.020(2) 0.0124(15) 
O3 0.0449(15) 0.061(2) 0.076(2) 0.009(2) 0.0067(15) 0.0188(13) 
O4 0.063(2) 0.053(2) 0.072(2) 0.0277(15) -0.003(2) 0.0175(14) 
O5 0.109(2) 0.049(2) 0.059(2) 0.0310(15) 0.017(2) 0.014(2) 
O6 0.059(2) 0.044(2) 0.090(2) 0.017(2) 0.030(2) 0.0004(13) 
O7 0.089(2) 0.050(2) 0.065(2) 0.0294(14) 0.032(2) 0.0146(15) 
O8 0.067(2) 0.043(2) 0.070(2) 0.0141(14) 0.023(2) -0.0075(13) 
P1 0.0410(5) 0.0321(5) 0.0340(5) 0.0056(4) 0.0074(4) 0.0072(4) 
P2 0.0481(5) 0.0352(5) 0.0340(5) 0.0085(4) 0.0118(4) 0.0110(4) 
Rh1 0.0361(2) 0.0294(2) 0.0349(2) 0.00513(12) 0.00705(12)
0.00802(11) 
Rh2 0.0425(2) 0.0269(2) 0.0301(2) 0.00732(11) 0.00760(12)
0.00808(11) 
 
_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 
C1 C2 1.477(6) . ? 
C2 N1 1.304(5) . ? 
C2 C3 1.465(6) . ? 
C3 N2 1.301(5) . ? 
C3 C4 1.489(6) . ? 
C5 C6 1.497(5) . ? 
C6 N3 1.290(5) . ? 
C6 C7 1.462(6) . ? 
C7 N4 1.310(5) . ? 
C7 C8 1.487(6) . ? 
C9 C10 1.491(6) . ? 
C10 N5 1.298(5) . ? 
C10 C11 1.459(6) . ? 
C11 N6 1.307(5) . ? 
C11 C12 1.497(6) . ? 
C13 C14 1.505(5) . ? 
C14 N7 1.286(5) . ? 
C14 C15 1.463(5) . ? 
C15 N8 1.300(5) . ? 
C15 C16 1.489(5) . ? 
C17 C18 1.382(5) . ? 
C17 C22 1.393(5) . ? 
C17 P1 1.834(4) . ? 
C18 C19 1.390(5) . ? 
C19 C20 1.367(6) . ? 
C20 C21 1.365(7) . ? 
C21 C22 1.389(6) . ? 
C23 C24 1.384(5) . ? 
C23 C28 1.392(5) . ? 
C23 P1 1.828(4) . ? 
C24 C25 1.390(6) . ? 
C25 C26 1.367(7) . ? 
C26 C27 1.373(7) . ? 
C27 C28 1.375(5) . ? 
C29 C34 1.381(5) . ? 
C29 C30 1.386(5) . ? 
C29 P1 1.836(4) . ? 
C30 C31 1.382(5) . ? 
C31 C32 1.354(6) . ? 
C32 C33 1.365(6) . ? 
C33 C34 1.373(6) . ? 
C35 C36 1.377(5) . ? 
C35 C40 1.386(5) . ? 
C35 P2 1.834(4) . ? 
C36 C37 1.380(6) . ? 
C37 C38 1.364(6) . ? 
C38 C39 1.346(7) . ? 
C39 C40 1.385(6) . ? 
C41 C42 1.373(5) . ? 
C41 C46 1.382(5) . ? 
C41 P2 1.842(4) . ? 
C42 C43 1.396(6) . ? 
C43 C44 1.379(6) . ? 
C44 C45 1.347(6) . ? 
C45 C46 1.387(6) . ? 
C47 C52 1.391(5) . ? 
C47 C48 1.400(6) . ? 
C47 P2 1.828(4) . ? 
C48 C49 1.371(6) . ? 
C49 C50 1.371(8) . ? 
C50 C51 1.376(8) . ? 
C51 C52 1.397(6) . ? 
C53 C54 1.507(5) . ? 
C53 Rh1 2.118(3) . ? 
C54 C55 1.512(5) . ? 
C55 Rh2 2.120(3) . ? 
N1 O1 1.353(4) . ? 
N1 Rh1 1.989(3) . ? 
N2 O2 1.341(4) . ? 
N2 Rh1 1.984(3) . ? 
N3 O3 1.340(4) . ? 
N3 Rh1 1.977(3) . ? 
N4 O4 1.345(4) . ? 
N4 Rh1 1.991(3) . ? 
N5 O5 1.353(4) . ? 
N5 Rh2 1.974(3) . ? 
N6 O6 1.332(4) . ? 
N6 Rh2 1.995(3) . ? 
N7 O7 1.380(4) . ? 
N7 Rh2 1.990(3) . ? 
N8 O8 1.348(4) . ? 
N8 Rh2 1.991(3) . ? 
P1 Rh1 2.4893(14) . ? 
P2 Rh2 2.4787(12) . ? 
 
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 
N1 C2 C3 112.7(3) . . ? 
N1 C2 C1 123.7(4) . . ? 
C3 C2 C1 123.6(4) . . ? 
N2 C3 C2 114.6(3) . . ? 
N2 C3 C4 122.8(4) . . ? 
C2 C3 C4 122.6(4) . . ? 
N3 C6 C7 114.2(3) . . ? 
N3 C6 C5 122.5(4) . . ? 
C7 C6 C5 123.3(4) . . ? 
N4 C7 C6 113.7(3) . . ? 
N4 C7 C8 122.8(4) . . ? 
C6 C7 C8 123.5(4) . . ? 
N5 C10 C11 113.1(3) . . ? 
N5 C10 C9 123.1(4) . . ? 
C11 C10 C9 123.8(4) . . ? 
N6 C11 C10 115.3(3) . . ? 
N6 C11 C12 121.8(4) . . ? 
C10 C11 C12 122.9(4) . . ? 
N7 C14 C15 114.1(3) . . ? 
N7 C14 C13 123.5(4) . . ? 
C15 C14 C13 122.3(4) . . ? 
N8 C15 C14 112.7(3) . . ? 
N8 C15 C16 123.8(4) . . ? 
C14 C15 C16 123.5(4) . . ? 
C18 C17 C22 118.8(4) . . ? 
C18 C17 P1 121.1(3) . . ? 
C22 C17 P1 120.0(3) . . ? 
C17 C18 C19 120.0(4) . . ? 
C20 C19 C18 121.1(5) . . ? 
C21 C20 C19 119.0(4) . . ? 
C20 C21 C22 121.3(4) . . ? 
C21 C22 C17 119.7(4) . . ? 
C24 C23 C28 118.2(4) . . ? 
C24 C23 P1 120.3(3) . . ? 
C28 C23 P1 121.2(3) . . ? 
C23 C24 C25 120.4(4) . . ? 
C26 C25 C24 120.5(4) . . ? 
C25 C26 C27 119.5(4) . . ? 
C26 C27 C28 120.6(4) . . ? 
C27 C28 C23 120.7(4) . . ? 
C34 C29 C30 117.2(3) . . ? 
C34 C29 P1 127.4(3) . . ? 
C30 C29 P1 115.3(3) . . ? 
C31 C30 C29 121.6(4) . . ? 
C32 C31 C30 119.7(4) . . ? 
C31 C32 C33 119.9(4) . . ? 
C32 C33 C34 120.7(4) . . ? 
C33 C34 C29 120.9(4) . . ? 
C36 C35 C40 118.1(4) . . ? 
C36 C35 P2 115.8(3) . . ? 
C40 C35 P2 126.2(3) . . ? 
C35 C36 C37 121.2(4) . . ? 
C38 C37 C36 119.9(4) . . ? 
C39 C38 C37 119.5(4) . . ? 
C38 C39 C40 121.7(5) . . ? 
C39 C40 C35 119.5(4) . . ? 
C42 C41 C46 118.2(4) . . ? 
C42 C41 P2 121.6(3) . . ? 
C46 C41 P2 120.1(3) . . ? 
C41 C42 C43 121.1(4) . . ? 
C44 C43 C42 119.3(4) . . ? 
C45 C44 C43 120.1(4) . . ? 
C44 C45 C46 120.8(4) . . ? 
C41 C46 C45 120.6(4) . . ? 
C52 C47 C48 119.2(4) . . ? 
C52 C47 P2 120.5(3) . . ? 
C48 C47 P2 119.7(3) . . ? 
C49 C48 C47 120.6(5) . . ? 
C48 C49 C50 119.4(5) . . ? 
C49 C50 C51 121.8(5) . . ? 
C50 C51 C52 119.0(5) . . ? 
C47 C52 C51 119.9(4) . . ? 
C54 C53 Rh1 119.3(2) . . ? 
C53 C54 C55 111.5(3) . . ? 
C54 C55 Rh2 118.4(2) . . ? 
C2 N1 O1 120.9(3) . . ? 
C2 N1 Rh1 117.5(3) . . ? 
O1 N1 Rh1 121.2(2) . . ? 
C3 N2 O2 122.9(3) . . ? 
C3 N2 Rh1 116.7(3) . . ? 
O2 N2 Rh1 120.3(3) . . ? 
C6 N3 O3 122.6(3) . . ? 
C6 N3 Rh1 117.2(3) . . ? 
O3 N3 Rh1 120.1(2) . . ? 
C7 N4 O4 122.9(3) . . ? 
C7 N4 Rh1 116.1(3) . . ? 
O4 N4 Rh1 120.8(2) . . ? 
C10 N5 O5 121.7(3) . . ? 
C10 N5 Rh2 117.2(3) . . ? 
O5 N5 Rh2 121.0(2) . . ? 
C11 N6 O6 123.7(3) . . ? 
C11 N6 Rh2 114.9(3) . . ? 
O6 N6 Rh2 121.4(2) . . ? 
C14 N7 O7 120.1(3) . . ? 
C14 N7 Rh2 117.3(3) . . ? 
O7 N7 Rh2 121.7(2) . . ? 
C15 N8 O8 122.5(3) . . ? 
C15 N8 Rh2 117.7(3) . . ? 
O8 N8 Rh2 119.8(2) . . ? 
C23 P1 C17 102.3(2) . . ? 
C23 P1 C29 107.0(2) . . ? 
C17 P1 C29 99.0(2) . . ? 
C23 P1 Rh1 111.39(11) . . ? 
C17 P1 Rh1 121.69(13) . . ? 
C29 P1 Rh1 113.77(11) . . ? 
C47 P2 C35 107.1(2) . . ? 
C47 P2 C41 102.3(2) . . ? 
C35 P2 C41 101.4(2) . . ? 
C47 P2 Rh2 110.36(12) . . ? 
C35 P2 Rh2 115.19(12) . . ? 
C41 P2 Rh2 119.17(12) . . ? 
N3 Rh1 N2 101.01(14) . . ? 
N3 Rh1 N1 173.44(11) . . ? 
N2 Rh1 N1 78.38(13) . . ? 
N3 Rh1 N4 78.74(13) . . ? 
N2 Rh1 N4 173.78(11) . . ? 
N1 Rh1 N4 101.15(13) . . ? 
N3 Rh1 C53 83.23(13) . . ? 
N2 Rh1 C53 85.81(14) . . ? 
N1 Rh1 C53 90.20(13) . . ? 
N4 Rh1 C53 88.00(14) . . ? 
N3 Rh1 P1 90.01(9) . . ? 
N2 Rh1 P1 92.98(9) . . ? 
N1 Rh1 P1 96.55(9) . . ? 
N4 Rh1 P1 93.23(9) . . ? 
C53 Rh1 P1 172.76(10) . . ? 
N5 Rh2 N7 172.71(12) . . ? 
N5 Rh2 N8 100.04(14) . . ? 
N7 Rh2 N8 77.63(13) . . ? 
N5 Rh2 N6 79.09(14) . . ? 
N7 Rh2 N6 102.71(14) . . ? 
N8 Rh2 N6 175.70(11) . . ? 
N5 Rh2 C55 88.24(13) . . ? 
N7 Rh2 C55 85.01(13) . . ? 
N8 Rh2 C55 93.04(12) . . ? 
N6 Rh2 C55 82.74(12) . . ? 
N5 Rh2 P2 90.76(9) . . ? 
N7 Rh2 P2 96.18(9) . . ? 
N8 Rh2 P2 91.33(9) . . ? 
N6 Rh2 P2 92.89(9) . . ? 
C55 Rh2 P2 175.62(9) . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 Rh1 C53 C54 C55 179.4(3) . . . . ? 
 C53 C54 C55 Rh2 174.5(2) . . . . ? 
 
_refine_diff_density_max    0.902 
_refine_diff_density_min   -0.739 
_refine_diff_density_rms    0.071 

#================================================================
#=END