#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:00:33 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179772 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/68/7006832.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7006832
loop_
_publ_author_name
'Adams, Christopher J.'
'Baber, R. Angharad'
'Connelly, Neil G.'
'Harding, Phimphaka'
'Hayward, Owen D.'
'Kandiah, Mathivathani'
'Orpen, A. Guy'
_publ_section_title
;
 Triazenide-bridged rhodium-palladium complexes:
 [I2Rh(mu-p-MeC6H4NNNC6H4Me-p)2Pd(eta(3)-C3H5)]-, a stable paramagnetic
 [RhPd]4+ species with a localised Rh(II) centre.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1749
_journal_page_last               1757
_journal_paper_doi               10.1039/b514513a
_journal_year                    2006
_chemical_formula_sum            'C49 H45 Cl3 N6 O2 P Pd Rh'
_chemical_formula_weight         1096.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.290(15)
_cell_angle_beta                 104.369(14)
_cell_angle_gamma                104.954(17)
_cell_formula_units_Z            2
_cell_length_a                   12.3160(19)
_cell_length_b                   12.5698(9)
_cell_length_c                   17.359(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2355.9(7)
_computing_cell_refinement       'SAINT (Siemens, 1995b)'
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_data_reduction        'SAINT (Siemens, 1995b)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            20155
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.982
_exptl_absorpt_correction_T_max  0.849559
_exptl_absorpt_correction_T_min  0.707649
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Sheldrick 1996'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1108
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.580
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         10641
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0438P)²+0.0357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0854
_reflns_number_gt                8088
_reflns_number_total             10641
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514513a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2355.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006832
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pd1 Pd 0.915361(19) 0.324130(18) 0.276412(14) 0.01951(6) Uani 1 1 d . . .
Rh1 Rh 0.71082(2) 0.209843(19) 0.127967(15) 0.02193(7) Uani 1 1 d . . .
Cl1 Cl 0.81984(7) 0.34150(6) 0.37591(5) 0.02902(17) Uani 1 1 d . . .
P1 P 0.96555(7) 0.17226(6) 0.30689(5) 0.02114(16) Uani 1 1 d . . .
O1 O 0.5152(2) 0.1204(3) 0.1937(2) 0.0586(8) Uani 1 1 d . . .
O2 O 0.6988(3) -0.0365(2) 0.0488(2) 0.0661(9) Uani 1 1 d . . .
N3 N 1.0072(2) 0.3273(2) 0.19380(15) 0.0231(5) Uani 1 1 d . . .
N2 N 0.9625(2) 0.3106(2) 0.11412(16) 0.0235(5) Uani 1 1 d . . .
N1 N 0.8464(2) 0.2745(2) 0.07936(16) 0.0232(5) Uani 1 1 d . . .
N6 N 0.8787(2) 0.4697(2) 0.25375(16) 0.0223(5) Uani 1 1 d . . .
N5 N 0.7813(2) 0.4754(2) 0.20788(15) 0.0214(5) Uani 1 1 d . . .
N4 N 0.6956(2) 0.3765(2) 0.15893(15) 0.0213(5) Uani 1 1 d . . .
C1 C 0.5901(3) 0.1551(3) 0.1691(2) 0.0344(8) Uani 1 1 d . . .
C2 C 0.7072(3) 0.0576(3) 0.0821(2) 0.0369(8) Uani 1 1 d . . .
C11 C 1.1344(3) 0.3571(3) 0.22337(19) 0.0240(6) Uani 1 1 d . . .
C12 C 1.1971(3) 0.4192(3) 0.3090(2) 0.0280(7) Uani 1 1 d . . .
H12 H 1.1575 0.4466 0.3447 0.034 Uiso 1 1 calc R . .
C13 C 1.3190(3) 0.4406(3) 0.3416(2) 0.0323(7) Uani 1 1 d . . .
H13 H 1.3599 0.4818 0.3993 0.039 Uiso 1 1 calc R . .
C14 C 1.3802(3) 0.4019(3) 0.2902(2) 0.0342(8) Uani 1 1 d . . .
C15 C 1.3178(3) 0.3433(3) 0.2043(2) 0.0321(7) Uani 1 1 d . . .
H15 H 1.3584 0.3189 0.1685 0.039 Uiso 1 1 calc R . .
C16 C 1.1958(3) 0.3201(3) 0.1703(2) 0.0295(7) Uani 1 1 d . . .
H16 H 1.1555 0.2802 0.1124 0.035 Uiso 1 1 calc R . .
C17 C 1.5123(3) 0.4223(4) 0.3268(3) 0.0516(10) Uani 1 1 d . . .
H17A H 1.5359 0.4456 0.3875 0.077 Uiso 1 1 calc R . .
H17B H 1.5575 0.4832 0.3118 0.077 Uiso 1 1 calc R . .
H17C H 1.5270 0.3511 0.3043 0.077 Uiso 1 1 calc R . .
C21 C 0.8118(3) 0.2776(3) -0.00533(19) 0.0247(6) Uani 1 1 d . . .
C22 C 0.8886(3) 0.3484(3) -0.0328(2) 0.0303(7) Uani 1 1 d . . .
H22 H 0.9671 0.3916 0.0026 0.036 Uiso 1 1 calc R . .
C23 C 0.8486(3) 0.3547(3) -0.1130(2) 0.0357(8) Uani 1 1 d . . .
H23 H 0.9013 0.4024 -0.1305 0.043 Uiso 1 1 calc R . .
C24 C 0.7322(3) 0.2920(3) -0.1678(2) 0.0340(8) Uani 1 1 d . . .
C25 C 0.6581(3) 0.2198(3) -0.1403(2) 0.0344(8) Uani 1 1 d . . .
H25 H 0.5804 0.1746 -0.1764 0.041 Uiso 1 1 calc R . .
C26 C 0.6961(3) 0.2126(3) -0.0598(2) 0.0299(7) Uani 1 1 d . . .
H26 H 0.6437 0.1641 -0.0427 0.036 Uiso 1 1 calc R . .
C27 C 0.6869(4) 0.3065(4) -0.2523(2) 0.0494(10) Uani 1 1 d . . .
H27A H 0.6356 0.2315 -0.2943 0.074 Uiso 1 1 calc R . .
H27B H 0.7534 0.3379 -0.2690 0.074 Uiso 1 1 calc R . .
H27C H 0.6430 0.3594 -0.2472 0.074 Uiso 1 1 calc R . .
C31 C 0.9692(3) 0.5841(2) 0.29646(19) 0.0219(6) Uani 1 1 d . . .
C32 C 0.9844(3) 0.6660(3) 0.2561(2) 0.0270(7) Uani 1 1 d . . .
H32 H 0.9364 0.6467 0.2003 0.032 Uiso 1 1 calc R . .
C33 C 1.0720(3) 0.7771(3) 0.2996(2) 0.0315(7) Uani 1 1 d . . .
H33 H 1.0817 0.8314 0.2721 0.038 Uiso 1 1 calc R . .
C34 C 1.1449(3) 0.8083(3) 0.3827(2) 0.0294(7) Uani 1 1 d . . .
C35 C 1.1284(3) 0.7253(3) 0.4219(2) 0.0281(7) Uani 1 1 d . . .
H35 H 1.1760 0.7447 0.4778 0.034 Uiso 1 1 calc R . .
C36 C 1.0424(3) 0.6140(3) 0.37941(19) 0.0244(6) Uani 1 1 d . . .
H36 H 1.0338 0.5594 0.4066 0.029 Uiso 1 1 calc R . .
C37 C 1.2410(3) 0.9286(3) 0.4287(3) 0.0437(9) Uani 1 1 d . . .
H37A H 1.2583 0.9484 0.4888 0.065 Uiso 1 1 calc R . .
H37B H 1.2134 0.9860 0.4109 0.065 Uiso 1 1 calc R . .
H37C H 1.3120 0.9277 0.4154 0.065 Uiso 1 1 calc R . .
C41 C 0.5887(3) 0.3949(2) 0.11856(19) 0.0220(6) Uani 1 1 d . . .
C42 C 0.5676(3) 0.4994(2) 0.1467(2) 0.0253(7) Uani 1 1 d . . .
H42 H 0.6241 0.5610 0.1943 0.030 Uiso 1 1 calc R . .
C43 C 0.4632(3) 0.5131(3) 0.1048(2) 0.0276(7) Uani 1 1 d . . .
H43 H 0.4520 0.5845 0.1242 0.033 Uiso 1 1 calc R . .
C44 C 0.3751(3) 0.4227(3) 0.0344(2) 0.0253(6) Uani 1 1 d . . .
C45 C 0.3963(3) 0.3186(3) 0.0076(2) 0.0284(7) Uani 1 1 d . . .
H45 H 0.3387 0.2565 -0.0391 0.034 Uiso 1 1 calc R . .
C46 C 0.5006(3) 0.3037(3) 0.04795(19) 0.0259(7) Uani 1 1 d . . .
H46 H 0.5120 0.2326 0.0279 0.031 Uiso 1 1 calc R . .
C47 C 0.2598(3) 0.4365(3) -0.0097(2) 0.0365(8) Uani 1 1 d . . .
H47A H 0.2297 0.3875 -0.0685 0.055 Uiso 1 1 calc R . .
H47B H 0.2746 0.5171 -0.0053 0.055 Uiso 1 1 calc R . .
H47C H 0.2020 0.4138 0.0166 0.055 Uiso 1 1 calc R . .
C51 C 1.0588(3) 0.1170(3) 0.2512(2) 0.0248(6) Uani 1 1 d . . .
C52 C 1.0109(3) 0.0590(3) 0.1631(2) 0.0340(8) Uani 1 1 d . . .
H52 H 0.9350 0.0553 0.1337 0.041 Uiso 1 1 calc R . .
C53 C 1.0735(4) 0.0074(3) 0.1193(2) 0.0436(9) Uani 1 1 d . . .
H53 H 1.0391 -0.0340 0.0611 0.052 Uiso 1 1 calc R . .
C54 C 1.1894(4) 0.0176(4) 0.1629(3) 0.0478(10) Uani 1 1 d . . .
H54 H 1.2326 -0.0172 0.1338 0.057 Uiso 1 1 calc R . .
C55 C 1.2399(3) 0.0790(4) 0.2487(3) 0.0449(9) Uani 1 1 d . . .
H55 H 1.3183 0.0879 0.2770 0.054 Uiso 1 1 calc R . .
C56 C 1.1747(3) 0.1281(3) 0.2937(2) 0.0327(7) Uani 1 1 d . . .
H56 H 1.2088 0.1680 0.3520 0.039 Uiso 1 1 calc R . .
C61 C 1.0498(3) 0.2136(2) 0.41880(18) 0.0221(6) Uani 1 1 d . . .
C62 C 1.1066(3) 0.3316(3) 0.47055(19) 0.0255(7) Uani 1 1 d . . .
H62 H 1.0977 0.3898 0.4484 0.031 Uiso 1 1 calc R . .
C63 C 1.1758(3) 0.3629(3) 0.5544(2) 0.0276(7) Uani 1 1 d . . .
H63 H 1.2142 0.4419 0.5881 0.033 Uiso 1 1 calc R . .
C64 C 1.1880(3) 0.2775(3) 0.5878(2) 0.0323(7) Uani 1 1 d . . .
H64 H 1.2348 0.2988 0.6442 0.039 Uiso 1 1 calc R . .
C65 C 1.1310(3) 0.1594(3) 0.5381(2) 0.0325(7) Uani 1 1 d . . .
H65 H 1.1388 0.1018 0.5612 0.039 Uiso 1 1 calc R . .
C66 C 1.0624(3) 0.1276(3) 0.4537(2) 0.0299(7) Uani 1 1 d . . .
H66 H 1.0245 0.0486 0.4202 0.036 Uiso 1 1 calc R . .
C71 C 0.8419(3) 0.0376(2) 0.28532(19) 0.0240(6) Uani 1 1 d . . .
C72 C 0.7470(3) 0.0449(3) 0.3133(2) 0.0339(8) Uani 1 1 d . . .
H72 H 0.7433 0.1183 0.3388 0.041 Uiso 1 1 calc R . .
C73 C 0.6575(3) -0.0558(3) 0.3036(2) 0.0359(8) Uani 1 1 d . . .
H73 H 0.5959 -0.0494 0.3244 0.043 Uiso 1 1 calc R . .
C74 C 0.6594(3) -0.1661(3) 0.2631(2) 0.0336(8) Uani 1 1 d . . .
H74 H 0.5979 -0.2335 0.2550 0.040 Uiso 1 1 calc R . .
C75 C 0.7526(3) -0.1748(3) 0.2351(2) 0.0333(8) Uani 1 1 d . . .
H75 H 0.7548 -0.2484 0.2085 0.040 Uiso 1 1 calc R . .
C76 C 0.8441(3) -0.0738(3) 0.2463(2) 0.0326(7) Uani 1 1 d . . .
H76 H 0.9073 -0.0807 0.2276 0.039 Uiso 1 1 calc R . .
C101 C 1.5584(6) 0.2492(7) 0.5083(4) 0.145(4) Uani 1 1 d D . .
H10A H 1.6041 0.3235 0.5067 0.174 Uiso 1 1 calc R A 1
H10B H 1.6061 0.2362 0.5562 0.174 Uiso 1 1 calc R A 1
Cl2 Cl 1.43061(13) 0.26140(16) 0.52617(12) 0.1174(7) Uani 1 1 d . B .
Cl3 Cl 1.5382(4) 0.1407(3) 0.4180(3) 0.0681(15) Uani 0.58(2) 1 d P B 1
Cl3' Cl 1.5496(11) 0.170(2) 0.4184(5) 0.182(6) Uani 0.42(2) 1 d PD B 2
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'
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N3 Pd1 N6 86.78(10) . . ?
N3 Pd1 P1 92.94(7) . . ?
N6 Pd1 P1 176.77(7) . . ?
N3 Pd1 Cl1 174.09(7) . . ?
N6 Pd1 Cl1 88.81(7) . . ?
P1 Pd1 Cl1 91.25(3) . . ?
N3 Pd1 Rh1 84.57(7) . . ?
N6 Pd1 Rh1 79.30(7) . . ?
P1 Pd1 Rh1 103.88(3) . . ?
Cl1 Pd1 Rh1 98.47(3) . . ?
C2 Rh1 C1 89.97(16) . . ?
C2 Rh1 N4 170.20(13) . . ?
C1 Rh1 N4 91.08(12) . . ?
C2 Rh1 N1 90.86(13) . . ?
C1 Rh1 N1 178.60(12) . . ?
N4 Rh1 N1 87.91(9) . . ?
C2 Rh1 Pd1 106.89(10) . . ?
C1 Rh1 Pd1 103.10(11) . . ?
N4 Rh1 Pd1 82.35(7) . . ?
N1 Rh1 Pd1 77.73(7) . . ?
C61 P1 C51 104.48(14) . . ?
C61 P1 C71 103.51(13) . . ?
C51 P1 C71 102.76(14) . . ?
C61 P1 Pd1 112.16(10) . . ?
C51 P1 Pd1 115.45(10) . . ?
C71 P1 Pd1 116.97(10) . . ?
N2 N3 C11 113.5(2) . . ?
N2 N3 Pd1 126.00(19) . . ?
C11 N3 Pd1 120.34(19) . . ?
N3 N2 N1 118.4(2) . . ?
N2 N1 C21 111.4(2) . . ?
N2 N1 Rh1 129.66(19) . . ?
C21 N1 Rh1 118.86(19) . . ?
N5 N6 C31 111.2(2) . . ?
N5 N6 Pd1 129.86(19) . . ?
C31 N6 Pd1 118.92(18) . . ?
N6 N5 N4 117.5(2) . . ?
N5 N4 C41 111.8(2) . . ?
N5 N4 Rh1 126.13(18) . . ?
C41 N4 Rh1 121.65(18) . . ?
O1 C1 Rh1 179.2(4) . . ?
O2 C2 Rh1 175.0(3) . . ?
C12 C11 C16 119.1(3) . . ?
C12 C11 N3 118.4(3) . . ?
C16 C11 N3 122.3(3) . . ?
C11 C12 C13 120.2(3) . . ?
C14 C13 C12 121.2(3) . . ?
C13 C14 C15 118.2(3) . . ?
C13 C14 C17 120.8(3) . . ?
C15 C14 C17 121.0(3) . . ?
C14 C15 C16 121.6(3) . . ?
C15 C16 C11 119.6(3) . . ?
C26 C21 C22 118.8(3) . . ?
C26 C21 N1 118.9(3) . . ?
C22 C21 N1 122.2(3) . . ?
C23 C22 C21 120.1(3) . . ?
C24 C23 C22 121.8(3) . . ?
C25 C24 C23 117.2(3) . . ?
C25 C24 C27 121.4(3) . . ?
C23 C24 C27 121.4(3) . . ?
C24 C25 C26 121.9(3) . . ?
C21 C26 C25 120.1(3) . . ?
C36 C31 C32 119.3(3) . . ?
C36 C31 N6 119.7(3) . . ?
C32 C31 N6 121.0(3) . . ?
C31 C32 C33 119.8(3) . . ?
C34 C33 C32 121.4(3) . . ?
C33 C34 C35 117.9(3) . . ?
C33 C34 C37 120.9(3) . . ?
C35 C34 C37 121.2(3) . . ?
C34 C35 C36 121.5(3) . . ?
C31 C36 C35 120.1(3) . . ?
C42 C41 C46 117.8(3) . . ?
C42 C41 N4 123.2(3) . . ?
C46 C41 N4 119.0(3) . . ?
C43 C42 C41 120.9(3) . . ?
C42 C43 C44 121.6(3) . . ?
C45 C44 C43 117.1(3) . . ?
C45 C44 C47 121.4(3) . . ?
C43 C44 C47 121.6(3) . . ?
C44 C45 C46 122.2(3) . . ?
C45 C46 C41 120.4(3) . . ?
C56 C51 C52 118.8(3) . . ?
C56 C51 P1 122.1(2) . . ?
C52 C51 P1 119.1(2) . . ?
C53 C52 C51 121.4(3) . . ?
C52 C53 C54 119.2(3) . . ?
C55 C54 C53 120.1(3) . . ?
C54 C55 C56 120.6(3) . . ?
C51 C56 C55 119.8(3) . . ?
C66 C61 C62 118.7(3) . . ?
C66 C61 P1 120.5(2) . . ?
C62 C61 P1 120.8(2) . . ?
C63 C62 C61 120.7(3) . . ?
C64 C63 C62 119.9(3) . . ?
C63 C64 C65 120.5(3) . . ?
C66 C65 C64 119.7(3) . . ?
C65 C66 C61 120.4(3) . . ?
C72 C71 C76 118.3(3) . . ?
C72 C71 P1 119.8(2) . . ?
C76 C71 P1 121.7(2) . . ?
C73 C72 C71 120.8(3) . . ?
C72 C73 C74 120.4(3) . . ?
C75 C74 C73 119.5(3) . . ?
C74 C75 C76 120.3(3) . . ?
C75 C76 C71 120.8(3) . . ?
Cl3' C101 Cl3 11.8(8) . . ?
Cl3' C101 Cl2 119.3(5) . . ?
Cl3 C101 Cl2 115.7(4) . . ?
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
Pd1 N3 2.037(2) . ?
Pd1 N6 2.104(2) . ?
Pd1 P1 2.2991(8) . ?
Pd1 Cl1 2.3145(8) . ?
Pd1 Rh1 2.8298(8) . ?
Rh1 C2 1.853(3) . ?
Rh1 C1 1.858(4) . ?
Rh1 N4 2.090(2) . ?
Rh1 N1 2.126(3) . ?
P1 C61 1.819(3) . ?
P1 C51 1.828(3) . ?
P1 C71 1.838(3) . ?
O1 C1 1.145(4) . ?
O2 C2 1.136(4) . ?
N3 N2 1.292(3) . ?
N3 C11 1.434(4) . ?
N2 N1 1.307(3) . ?
N1 C21 1.440(4) . ?
N6 N5 1.296(3) . ?
N6 C31 1.436(4) . ?
N5 N4 1.305(3) . ?
N4 C41 1.437(4) . ?
C11 C12 1.386(4) . ?
C11 C16 1.392(4) . ?
C12 C13 1.392(4) . ?
C13 C14 1.378(5) . ?
C14 C15 1.383(5) . ?
C14 C17 1.516(5) . ?
C15 C16 1.391(4) . ?
C21 C26 1.384(4) . ?
C21 C22 1.388(4) . ?
C22 C23 1.388(4) . ?
C23 C24 1.388(5) . ?
C24 C25 1.380(5) . ?
C24 C27 1.511(5) . ?
C25 C26 1.393(4) . ?
C31 C36 1.387(4) . ?
C31 C32 1.389(4) . ?
C32 C33 1.396(4) . ?
C33 C34 1.386(5) . ?
C34 C35 1.387(4) . ?
C34 C37 1.515(4) . ?
C35 C36 1.388(4) . ?
C41 C42 1.391(4) . ?
C41 C46 1.396(4) . ?
C42 C43 1.388(4) . ?
C43 C44 1.391(4) . ?
C44 C45 1.383(4) . ?
C44 C47 1.513(4) . ?
C45 C46 1.386(4) . ?
C51 C56 1.387(4) . ?
C51 C52 1.400(4) . ?
C52 C53 1.373(5) . ?
C53 C54 1.394(5) . ?
C54 C55 1.374(5) . ?
C55 C56 1.397(5) . ?
C61 C66 1.394(4) . ?
C61 C62 1.395(4) . ?
C62 C63 1.381(4) . ?
C63 C64 1.372(4) . ?
C64 C65 1.388(5) . ?
C65 C66 1.386(4) . ?
C71 C72 1.387(4) . ?
C71 C76 1.396(4) . ?
C72 C73 1.386(4) . ?
C73 C74 1.388(4) . ?
C74 C75 1.371(5) . ?
C75 C76 1.393(4) . ?
C101 Cl3' 1.575(11) . ?
C101 Cl3 1.698(7) . ?
C101 Cl2 1.715(6) . ?
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
N1 Rh1 Pd1 N3 -12.67(9) . . . . ?
N4 Rh1 Pd1 N6 -14.46(10) . . . . ?
C1 Rh1 Pd1 P1 76.79(11) . . . . ?
C2 Rh1 Pd1 Cl1 -110.64(13) . . . . ?
