#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/05/4320524.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_4320524
loop_
_publ_author_name
'F. Albert Cotton'
'Chun Lin'
'Carlos A. Murillo'
_publ_section_title
;
 Controlling the Dimensionality of Metal-Metal Bonded Rh24+ Polymers by
 the Length of the Linker. A Disciplined Example of Crystal Engineering
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5886
_journal_page_last               5889
_journal_paper_doi               10.1021/ic010537t
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety
'[Rh2(DAniF)2]2[O2CCH2CO2]2(NCC6F4C6F4CN)2(6.8CH2Cl2)'
_chemical_formula_sum            'C100.8 H77.6 Cl13.6 F16 N12 O16 Rh4'
_chemical_formula_weight         2910.71
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.673(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.802(1)
_cell_length_b                   28.303(2)
_cell_length_c                   18.820(2)
_cell_measurement_reflns_used    4761
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      24.77
_cell_measurement_theta_min      2.18
_cell_volume                     6255.7(10)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP (Siemens, 1990)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART area detector'
_diffrn_measurement_method       'Ellipsoid-mask fitting'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1118
_diffrn_reflns_av_sigmaI/netI    0.1376
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33132
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.44
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2899
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.886
_refine_diff_density_min         -1.126
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     744
_refine_ls_number_reflns         11247
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1807
_refine_ls_R_factor_gt           0.0948
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1048P)²+46.7489P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2168
_refine_ls_wR_factor_ref         0.2571
_reflns_number_gt                5745
_reflns_number_total             11247
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010537t.cif
_cod_data_source_block           compd_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_bond_publ_flag'
value 'Y' changed to 'y' according to the built-in table from CIF
Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29
(11 times).

'_geom_angle_publ_flag' value 'Y' changed to 'y'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30 times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C100.80 H77.60 Cl13.60 F16 N12 O16 Rh4'
_cod_database_code               4320524
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Rh1 Rh 0.98969(8) 0.36406(3) 0.20573(4) 0.0240(3) Uani 1 1 d . . .
Rh2 Rh 0.93553(8) 0.36136(3) 0.07758(4) 0.0246(3) Uani 1 1 d . . .
N1 N 0.8847(8) 0.4199(3) 0.2109(5) 0.031(2) Uani 1 1 d . . .
N2 N 0.8140(8) 0.4091(3) 0.0928(5) 0.029(2) Uani 1 1 d . . .
N3 N 1.1218(8) 0.4065(3) 0.1879(5) 0.028(2) Uani 1 1 d . . .
N4 N 1.0527(8) 0.4128(3) 0.0669(5) 0.027(2) Uani 1 1 d . . .
N5 N 1.0194(8) 0.3619(4) 0.3231(5) 0.027(2) Uani 1 1 d . . .
N6 N 0.8981(9) 0.3523(3) -0.0409(5) 0.030(2) Uani 1 1 d . . .
O1 O 0.8457(9) 0.5152(4) 0.4683(5) 0.061(3) Uani 1 1 d . . .
O2 O 0.5001(9) 0.4661(4) -0.1341(6) 0.070(3) Uani 1 1 d . . .
O3 O 1.4682(9) 0.4474(5) 0.4045(6) 0.089(4) Uani 1 1 d . . .
O4 O 1.1571(9) 0.4485(3) -0.2104(5) 0.051(3) Uani 1 1 d . . .
O103 O 0.8601(7) 0.3152(3) 0.2163(4) 0.0280(18) Uani 1 1 d . . .
O104 O 0.8269(7) 0.3060(3) 0.0956(4) 0.0303(19) Uani 1 1 d . . .
O201 O 1.0943(7) 0.3062(3) 0.1908(4) 0.0290(19) Uani 1 1 d . . .
O202 O 1.0628(7) 0.3118(3) 0.0719(4) 0.0275(18) Uani 1 1 d . . .
C1 C 0.8119(10) 0.4310(4) 0.1547(6) 0.026(3) Uani 1 1 d . . .
H1A H 0.7579 0.4550 0.1591 0.031 Uiso 1 1 calc R . .
C2 C 1.1291(10) 0.4216(4) 0.1216(7) 0.032(3) Uani 1 1 d . . .
H2A H 1.1930 0.4398 0.1129 0.039 Uiso 1 1 calc R . .
C3 C 1.1086(9) 0.2928(4) 0.1291(6) 0.026(3) Uani 1 1 d . . .
C4 C 1.1838(13) 0.2500 0.1227(9) 0.030(4) Uani 1 2 d S . .
H4A H 1.2467 0.2500 0.1608 0.036 Uiso 1 2 calc SR . .
H4B H 1.2156 0.2500 0.0765 0.036 Uiso 1 2 calc SR . .
C5 C 0.7460(15) 0.2500 0.1711(10) 0.034(4) Uani 1 2 d S . .
H5A H 0.6788 0.2500 0.1360 0.041 Uiso 1 2 calc SR . .
H5B H 0.7197 0.2500 0.2189 0.041 Uiso 1 2 calc SR . .
C6 C 0.8166(10) 0.2948(4) 0.1615(7) 0.029(3) Uani 1 1 d . . .
C11 C 0.8679(10) 0.4438(4) 0.2764(6) 0.027(3) Uani 1 1 d . . .
C12 C 0.9602(12) 0.4679(4) 0.3117(7) 0.039(3) Uani 1 1 d . . .
H12A H 1.0302 0.4682 0.2918 0.047 Uiso 1 1 calc R . .
C13 C 0.9508(12) 0.4914(5) 0.3758(7) 0.044(3) Uani 1 1 d . . .
H13A H 1.0135 0.5074 0.3993 0.053 Uiso 1 1 calc R . .
C14 C 0.8449(11) 0.4906(5) 0.4048(6) 0.035(3) Uani 1 1 d . . .
C15 C 0.7558(11) 0.4677(4) 0.3703(7) 0.040(3) Uani 1 1 d . . .
H15A H 0.6853 0.4672 0.3895 0.048 Uiso 1 1 calc R . .
C16 C 0.7685(10) 0.4445(4) 0.3057(7) 0.032(3) Uani 1 1 d . . .
H16A H 0.7054 0.4289 0.2821 0.039 Uiso 1 1 calc R . .
C17 C 0.7455(16) 0.5103(6) 0.5052(9) 0.084(6) Uani 1 1 d . . .
H17A H 0.7542 0.5288 0.5488 0.126 Uiso 1 1 calc R . .
H17B H 0.7350 0.4773 0.5168 0.126 Uiso 1 1 calc R . .
H17C H 0.6798 0.5215 0.4749 0.126 Uiso 1 1 calc R . .
C21 C 0.7332(9) 0.4262(4) 0.0349(6) 0.028(3) Uani 1 1 d . . .
C22 C 0.6626(11) 0.3924(5) -0.0032(7) 0.042(3) Uani 1 1 d . . .
H22A H 0.6688 0.3602 0.0091 0.051 Uiso 1 1 calc R . .
C23 C 0.5847(13) 0.4069(6) -0.0585(8) 0.057(4) Uani 1 1 d . . .
H23A H 0.5371 0.3848 -0.0839 0.069 Uiso 1 1 calc R . .
C24 C 0.5777(10) 0.4557(5) -0.0764(7) 0.039(3) Uani 1 1 d . . .
C25 C 0.6444(10) 0.4870(5) -0.0379(7) 0.040(3) Uani 1 1 d . . .
H25A H 0.6375 0.5193 -0.0489 0.048 Uiso 1 1 calc R . .
C26 C 0.7228(10) 0.4726(4) 0.0176(6) 0.033(3) Uani 1 1 d . . .
H26A H 0.7690 0.4951 0.0433 0.040 Uiso 1 1 calc R . .
C27 C 0.4870(13) 0.5150(7) -0.1522(9) 0.069(5) Uani 1 1 d . . .
H27A H 0.4311 0.5183 -0.1933 0.103 Uiso 1 1 calc R . .
H27B H 0.5594 0.5276 -0.1635 0.103 Uiso 1 1 calc R . .
H27C H 0.4616 0.5321 -0.1121 0.103 Uiso 1 1 calc R . .
C31 C 1.2110(10) 0.4170(4) 0.2417(7) 0.032(3) Uani 1 1 d . . .
C32 C 1.2599(12) 0.3812(5) 0.2852(8) 0.052(4) Uani 1 1 d . . .
H32A H 1.2356 0.3499 0.2771 0.062 Uiso 1 1 calc R . .
C33 C 1.3423(12) 0.3905(6) 0.3393(8) 0.057(4) Uani 1 1 d . . .
H33A H 1.3698 0.3658 0.3695 0.069 Uiso 1 1 calc R . .
C34 C 1.3854(12) 0.4345(6) 0.3507(8) 0.052(4) Uani 1 1 d . . .
C35 C 1.3434(12) 0.4707(6) 0.3086(8) 0.054(4) Uani 1 1 d . . .
H35A H 1.3725 0.5014 0.3163 0.065 Uiso 1 1 calc R . .
C36 C 1.2550(11) 0.4620(5) 0.2528(7) 0.046(3) Uani 1 1 d . . .
H36A H 1.2264 0.4870 0.2235 0.055 Uiso 1 1 calc R . .
C37 C 1.5096(19) 0.4096(10) 0.4565(11) 0.124(9) Uani 1 1 d . . .
H37A H 1.5672 0.4226 0.4915 0.187 Uiso 1 1 calc R . .
H37B H 1.5421 0.3839 0.4311 0.187 Uiso 1 1 calc R . .
H37C H 1.4463 0.3978 0.4805 0.187 Uiso 1 1 calc R . .
C41 C 1.0867(10) 0.4229(4) -0.0026(6) 0.027(3) Uani 1 1 d . . .
C42 C 1.0152(10) 0.4523(4) -0.0487(6) 0.031(3) Uani 1 1 d . . .
H42A H 0.9498 0.4663 -0.0332 0.037 Uiso 1 1 calc R . .
C43 C 1.0450(11) 0.4598(4) -0.1179(6) 0.034(3) Uani 1 1 d . . .
H43A H 0.9994 0.4796 -0.1491 0.041 Uiso 1 1 calc R . .
C44 C 1.1403(12) 0.4388(4) -0.1412(6) 0.038(3) Uani 1 1 d . . .
C45 C 1.2088(11) 0.4097(4) -0.0957(6) 0.036(3) Uani 1 1 d . . .
H45A H 1.2730 0.3947 -0.1113 0.043 Uiso 1 1 calc R . .
C46 C 1.1799(10) 0.4031(5) -0.0258(6) 0.037(3) Uani 1 1 d . . .
H46A H 1.2272 0.3843 0.0058 0.045 Uiso 1 1 calc R . .
C47 C 1.2575(13) 0.4289(6) -0.2353(7) 0.060(4) Uani 1 1 d . . .
H47A H 1.2614 0.4378 -0.2847 0.091 Uiso 1 1 calc R . .
H47B H 1.2551 0.3947 -0.2315 0.091 Uiso 1 1 calc R . .
H47C H 1.3241 0.4407 -0.2065 0.091 Uiso 1 1 calc R . .
C51 C 1.0057(10) 0.3639(4) 0.3807(7) 0.029(3) Uiso 1 1 d . . .
C52 C 0.9923(11) 0.3684(4) 0.4560(6) 0.032(3) Uani 1 1 d . . .
C53 C 1.0882(13) 0.3751(4) 0.5047(7) 0.044(4) Uani 1 1 d . . .
C54 C 1.0736(13) 0.3757(5) 0.5777(7) 0.044(3) Uani 1 1 d . . .
C55 C 0.9664(12) 0.3713(4) 0.6044(6) 0.039(3) Uani 1 1 d . . .
C56 C 0.8752(12) 0.3674(5) 0.5522(7) 0.043(3) Uani 1 1 d . . .
C57 C 0.8857(11) 0.3645(5) 0.4804(7) 0.039(3) Uani 1 1 d . . .
C58 C 0.9535(10) 0.3688(4) 0.6809(7) 0.035(3) Uiso 1 1 d . . .
C59 C 1.0125(13) 0.3357(5) 0.7241(7) 0.045(4) Uani 1 1 d . . .
C60 C 0.9968(14) 0.3310(5) 0.7960(7) 0.053(4) Uani 1 1 d . . .
C61 C 0.9191(11) 0.3582(4) 0.8253(6) 0.035(3) Uani 1 1 d . . .
C62 C 0.8613(11) 0.3927(4) 0.7840(6) 0.034(3) Uani 1 1 d . . .
C63 C 0.8776(12) 0.3979(4) 0.7119(7) 0.043(3) Uani 1 1 d . . .
C64 C 0.9042(11) 0.3551(4) -0.0999(6) 0.031(3) Uani 1 1 d . . .
F1 F 1.1905(7) 0.3767(3) 0.4840(4) 0.058(2) Uani 1 1 d . . .
F2 F 1.1677(7) 0.3811(3) 0.6237(4) 0.061(2) Uani 1 1 d . . .
F3 F 0.7692(7) 0.3623(3) 0.5736(4) 0.055(2) Uani 1 1 d . . .
F4 F 0.7949(6) 0.3587(3) 0.4346(4) 0.054(2) Uani 1 1 d . . .
F5 F 1.0838(9) 0.3058(3) 0.6961(4) 0.073(3) Uani 1 1 d . . .
F6 F 1.0557(9) 0.2994(3) 0.8344(4) 0.072(3) Uani 1 1 d . . .
F7 F 0.7868(7) 0.4218(3) 0.8117(4) 0.056(2) Uani 1 1 d . . .
F8 F 0.8222(7) 0.4325(3) 0.6744(4) 0.057(2) Uani 1 1 d . . .
C1S C 0.752(2) 0.2500 -0.0387(15) 0.075(7) Uiso 1 2 d S . .
Cl1 Cl 0.7657(8) 0.2500 -0.1360(3) 0.093(2) Uani 1 2 d S . .
Cl2 Cl 0.6046(7) 0.2500 -0.0272(5) 0.127(3) Uani 1 2 d S . .
C2S C 1.707(3) 0.2500 0.604(2) 0.112(11) Uiso 1 2 d S . .
Cl3 Cl 1.8004(12) 0.2500 0.6814(8) 0.189(5) Uiso 1 2 d S A .
Cl4 Cl 1.849(3) 0.2500 0.5524(16) 0.220(12) Uiso 0.60 2 d SP A 1
Cl4' Cl 1.771(2) 0.2500 0.5215(14) 0.111(7) Uiso 0.40 2 d SP A 2
C3S C 1.474(4) 0.3197(15) 0.194(2) 0.158(15) Uiso 0.75 1 d P . .
Cl5 Cl 1.5708(12) 0.3570(5) 0.1955(9) 0.126(5) Uiso 0.50 1 d P B 1
Cl6 Cl 1.4109(17) 0.3434(8) 0.1122(12) 0.185(8) Uiso 0.50 1 d P B 1
Cl5' Cl 1.567(3) 0.3365(12) 0.2403(19) 0.137(10) Uiso 0.25 1 d P B 2
Cl6' Cl 1.427(2) 0.3175(10) 0.0823(15) 0.105(7) Uiso 0.25 1 d P B 2
C4S C 0.523(4) 0.3732(18) 0.729(3) 0.116(16) Uiso 0.50 1 d P . .
Cl7 Cl 0.6048(14) 0.3361(6) 0.7373(9) 0.159(6) Uiso 0.50 1 d P . .
Cl8 Cl 0.4997(16) 0.4043(7) 0.6537(11) 0.183(7) Uiso 0.50 1 d P . .
C5S C 1.117(8) 0.2500 0.331(5) 0.17(3) Uiso 0.60 2 d SP C 1
Cl9 Cl 1.2938(14) 0.2500 0.3272(10) 0.128(5) Uiso 0.60 2 d SP C 1
Cl10 Cl 1.1293(17) 0.2500 0.4277(11) 0.137(6) Uiso 0.60 2 d SP C 1
C6S C 1.028(4) 0.2500 0.325(4) 0.18(3) Uiso 0.70 2 d SPD D 2
Cl11 Cl 1.185(2) 0.2500 0.3591(13) 0.106(6) Uiso 0.44 2 d SP D 2
Cl12 Cl 0.871(3) 0.2500 0.341(2) 0.098(12) Uiso 0.20 2 d SPD D 2
Cl13 Cl 0.9357(19) 0.2500 0.3966(12) 0.101(6) Uiso 0.44 2 d SP D 2
Cl14 Cl 1.021(3) 0.2500 0.4165(17) 0.113(9) Uiso 0.32 2 d SP D 2
C7S C 1.58(3) 0.2500 0.42(2) 0.27(16) Uiso 0.20 2 d SP . .
Cl15 Cl 1.594(3) 0.2806(15) 0.346(2) 0.156(14) Uiso 0.20 1 d P . .
C8S C 1.310(7) 0.2500 0.602(5) 0.07(2) Uiso 0.30 2 d SP . .
Cl16 Cl 1.194(5) 0.2500 0.567(4) 0.17(2) Uiso 0.20 2 d SP . .
Cl17 Cl 1.376(5) 0.281(2) 0.573(3) 0.24(3) Uiso 0.20 1 d P . .
C9S C 0.338(12) 0.2500 -0.162(3) 0.28(7) Uiso 0.50 2 d SPD . .
Cl18 Cl 0.353(2) 0.2990(8) -0.1569(14) 0.106(7) Uiso 0.25 1 d P . .
Cl19 Cl 0.312(3) 0.2822(12) -0.0762(19) 0.158(12) Uiso 0.25 1 d PD . .
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
N1 Rh1 N3 91.7(4) . . y
N1 Rh1 O103 93.2(4) . . y
N3 Rh1 O103 173.8(3) . . y
N1 Rh1 O201 175.0(3) . . y
N3 Rh1 O201 88.2(3) . . y
O103 Rh1 O201 86.6(3) . . y
N1 Rh1 N5 90.6(4) . . y
N3 Rh1 N5 97.7(4) . . y
O103 Rh1 N5 86.1(3) . . y
O201 Rh1 N5 94.3(3) . . y
N1 Rh1 Rh2 88.3(3) . . y
N3 Rh1 Rh2 89.2(3) . . y
O103 Rh1 Rh2 87.1(2) . . y
O201 Rh1 Rh2 86.7(2) . . y
N5 Rh1 Rh2 173.1(3) . . y
N2 Rh2 N4 92.0(4) . . y
N2 Rh2 O202 174.8(3) . . y
N4 Rh2 O202 88.6(3) . . y
N2 Rh2 O104 91.3(3) . . y
N4 Rh2 O104 174.6(4) . . y
O202 Rh2 O104 87.7(3) . . y
N2 Rh2 N6 98.3(4) . . y
N4 Rh2 N6 93.0(4) . . y
O202 Rh2 N6 86.8(3) . . y
O104 Rh2 N6 90.7(3) . . y
N2 Rh2 Rh1 87.7(3) . . y
N4 Rh2 Rh1 87.8(3) . . y
O202 Rh2 Rh1 87.2(2) . . y
O104 Rh2 Rh1 88.2(2) . . y
N6 Rh2 Rh1 173.9(2) . . y
C1 N1 C11 115.9(9) . . ?
C1 N1 Rh1 119.8(8) . . ?
C11 N1 Rh1 123.3(7) . . ?
C1 N2 C21 115.8(10) . . ?
C1 N2 Rh2 121.1(8) . . ?
C21 N2 Rh2 122.7(7) . . ?
C2 N3 C31 119.4(10) . . ?
C2 N3 Rh1 118.0(8) . . ?
C31 N3 Rh1 122.4(8) . . ?
C2 N4 C41 116.2(10) . . ?
C2 N4 Rh2 118.5(8) . . ?
C41 N4 Rh2 119.1(7) . . ?
C51 N5 Rh1 162.0(10) . . ?
C64 N6 Rh2 161.6(10) . . ?
C14 O1 C17 115.7(11) . . ?
C24 O2 C27 116.2(12) . . ?
C34 O3 C37 116.7(15) . . ?
C44 O4 C47 115.9(11) . . ?
C6 O103 Rh1 118.3(7) . . ?
C6 O104 Rh2 117.3(7) . . ?
C3 O201 Rh1 119.9(7) . . ?
C3 O202 Rh2 119.5(7) . . ?
N2 C1 N1 121.5(10) . . ?
N4 C2 N3 124.5(12) . . ?
O201 C3 O202 125.0(10) . . ?
O201 C3 C4 116.7(11) . . ?
O202 C3 C4 118.2(11) . . ?
C3 C4 C3 106.4(12) . 4_565 ?
C6 C5 C6 111.1(13) . 4_565 ?
O103 C6 O104 127.4(10) . . ?
O103 C6 C5 117.9(12) . . ?
O104 C6 C5 114.6(12) . . ?
C16 C11 C12 118.0(11) . . ?
C16 C11 N1 123.9(11) . . ?
C12 C11 N1 118.1(11) . . ?
C13 C12 C11 121.4(13) . . ?
C12 C13 C14 118.4(12) . . ?
C15 C14 O1 126.7(12) . . ?
C15 C14 C13 120.0(11) . . ?
O1 C14 C13 113.2(11) . . ?
C14 C15 C16 119.9(12) . . ?
C11 C16 C15 122.3(11) . . ?
C26 C21 C22 119.9(11) . . ?
C26 C21 N2 122.5(10) . . ?
C22 C21 N2 117.6(11) . . ?
C23 C22 C21 119.7(12) . . ?
C22 C23 C24 119.1(13) . . ?
C25 C24 O2 126.0(13) . . ?
C25 C24 C23 119.6(12) . . ?
O2 C24 C23 114.4(12) . . ?
C24 C25 C26 121.5(13) . . ?
C21 C26 C25 120.2(12) . . ?
C36 C31 C32 116.9(12) . . ?
C36 C31 N3 122.8(12) . . ?
C32 C31 N3 120.2(12) . . ?
C33 C32 C31 121.5(15) . . ?
C34 C33 C32 121.7(16) . . ?
C33 C34 C35 119.5(14) . . ?
C33 C34 O3 125.9(16) . . ?
C35 C34 O3 114.6(15) . . ?
C34 C35 C36 119.7(14) . . ?
C31 C36 C35 120.5(14) . . ?
C46 C41 C42 120.0(10) . . ?
C46 C41 N4 121.7(11) . . ?
C42 C41 N4 118.1(10) . . ?
C43 C42 C41 118.1(11) . . ?
C44 C43 C42 121.1(11) . . ?
O4 C44 C43 114.5(11) . . ?
O4 C44 C45 125.4(12) . . ?
C43 C44 C45 120.1(11) . . ?
C44 C45 C46 118.5(12) . . ?
C41 C46 C45 122.1(12) . . ?
N5 C51 C52 177.0(14) . . ?
C57 C52 C53 119.7(11) . . ?
C57 C52 C51 120.6(11) . . ?
C53 C52 C51 119.7(12) . . ?
F1 C53 C52 121.4(12) . . ?
F1 C53 C54 119.9(14) . . ?
C52 C53 C54 118.4(13) . . ?
F2 C54 C53 117.2(13) . . ?
F2 C54 C55 119.5(11) . . ?
C53 C54 C55 123.3(14) . . ?
C56 C55 C54 114.5(11) . . ?
C56 C55 C58 122.9(12) . . ?
C54 C55 C58 122.6(12) . . ?
F3 C56 C57 117.4(12) . . ?
F3 C56 C55 118.1(11) . . ?
C57 C56 C55 124.2(13) . . ?
F4 C57 C56 120.4(12) . . ?
F4 C57 C52 119.9(11) . . ?
C56 C57 C52 119.7(12) . . ?
C59 C58 C63 117.7(12) . . ?
C59 C58 C55 121.0(11) . . ?
C63 C58 C55 121.3(11) . . ?
F5 C59 C58 119.8(11) . . ?
F5 C59 C60 118.2(11) . . ?
C58 C59 C60 122.0(12) . . ?
F6 C60 C61 120.6(12) . . ?
F6 C60 C59 119.3(13) . . ?
C61 C60 C59 120.1(12) . . ?
C60 C61 C62 119.3(11) . . ?
C60 C61 C64 121.0(11) . 1_556 ?
C62 C61 C64 119.4(11) . 1_556 ?
F7 C62 C61 121.2(11) . . ?
F7 C62 C63 118.0(11) . . ?
C61 C62 C63 120.8(11) . . ?
F8 C63 C58 121.0(12) . . ?
F8 C63 C62 118.8(12) . . ?
C58 C63 C62 120.2(12) . . ?
N6 C64 C61 176.7(15) . 1_554 ?
Cl2 C1S Cl1 107.4(14) . . ?
Cl3 C2S Cl4' 116(2) . . ?
Cl3 C2S Cl4 85.4(17) . . ?
Cl5' C3S Cl6 130(3) . . ?
Cl5 C3S Cl6 90(2) . . ?
Cl5' C3S Cl6' 137(3) . . ?
Cl5 C3S Cl6' 99(2) . . ?
Cl7 C4S Cl8 123(4) . . ?
Cl10 C5S Cl9 93(4) . . ?
Cl14 C6S Cl13 33.9(17) . . ?
Cl14 C6S Cl11 79(3) . . ?
Cl13 C6S Cl11 113(4) . . ?
Cl14 C6S Cl12 73(3) . . ?
Cl11 C6S Cl12 152(5) . . ?
Cl15 C7S Cl15 63(10) 4_565 . ?
Cl17 C8S Cl17 82(7) 4_565 . ?
Cl17 C8S Cl16 112(6) 4_565 . ?
Cl17 C8S Cl16 112(6) . . ?
Cl18 C9S Cl18 164(10) . 4_565 ?
Cl18 C9S Cl19 116(3) . 4_565 ?
Cl18 C9S Cl19 116(3) 4_565 . ?
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 Rh2 2.4345(12) . y
Rh1 N1 2.016(9) . y
Rh1 N3 2.022(9) . y
Rh1 O103 2.086(8) . y
Rh1 O201 2.088(7) . y
Rh1 N5 2.204(9) . y
Rh2 N2 2.011(9) . y
Rh2 N4 2.031(9) . y
Rh2 O202 2.066(7) . y
Rh2 O104 2.074(8) . y
Rh2 N6 2.244(10) . y
N1 C1 1.334(14) . ?
N1 C11 1.437(13) . ?
N2 C1 1.322(14) . ?
N2 C21 1.457(14) . ?
N3 C2 1.330(15) . ?
N3 C31 1.417(14) . ?
N4 C2 1.323(14) . ?
N4 C41 1.434(14) . ?
N5 C51 1.113(14) . ?
N6 C64 1.124(13) . ?
O1 C14 1.382(14) . ?
O1 C17 1.436(18) . ?
O2 C24 1.383(14) . ?
O2 C27 1.428(19) . ?
O3 C34 1.386(17) . ?
O3 C37 1.50(2) . ?
O4 C44 1.363(14) . ?
O4 C47 1.430(17) . ?
O103 C6 1.247(14) . ?
O104 C6 1.297(14) . ?
O201 C3 1.248(13) . ?
O202 C3 1.274(13) . ?
C3 C4 1.515(14) . ?
C4 C3 1.515(14) 4_565 ?
C5 C6 1.538(14) . ?
C5 C6 1.538(14) 4_565 ?
C11 C16 1.345(16) . ?
C11 C12 1.395(17) . ?
C12 C13 1.393(17) . ?
C13 C14 1.412(18) . ?
C14 C15 1.346(17) . ?
C15 C16 1.403(16) . ?
C21 C26 1.356(16) . ?
C21 C22 1.415(16) . ?
C22 C23 1.381(18) . ?
C23 C24 1.42(2) . ?
C24 C25 1.348(17) . ?
C25 C26 1.387(16) . ?
C31 C36 1.384(18) . ?
C31 C32 1.392(18) . ?
C32 C33 1.362(19) . ?
C33 C34 1.35(2) . ?
C34 C35 1.36(2) . ?
C35 C36 1.427(19) . ?
C41 C46 1.345(16) . ?
C41 C42 1.419(16) . ?
C42 C43 1.399(16) . ?
C43 C44 1.383(17) . ?
C44 C45 1.389(17) . ?
C45 C46 1.402(16) . ?
C51 C52 1.446(16) . ?
C52 C57 1.387(17) . ?
C52 C53 1.397(18) . ?
C53 F1 1.306(15) . ?
C53 C54 1.402(18) . ?
C54 F2 1.347(15) . ?
C54 C55 1.412(18) . ?
C55 C56 1.388(18) . ?
C55 C58 1.464(16) . ?
C56 F3 1.360(14) . ?
C56 C57 1.372(17) . ?
C57 F4 1.318(13) . ?
C58 C59 1.383(17) . ?
C58 C63 1.387(17) . ?
C59 F5 1.338(14) . ?
C59 C60 1.391(18) . ?
C60 F6 1.306(15) . ?
C60 C61 1.356(18) . ?
C61 C62 1.385(16) . ?
C61 C64 1.438(15) 1_556 ?
C62 F7 1.347(14) . ?
C62 C63 1.397(17) . ?
C63 F8 1.338(14) . ?
C64 C61 1.438(15) 1_554 ?
C1S Cl2 1.78(3) . ?
C1S Cl1 1.85(3) . ?
C2S Cl3 1.73(4) . ?
C2S Cl4' 1.79(4) . ?
C2S Cl4 2.01(4) . ?
C3S Cl5' 1.41(4) . ?
C3S Cl5 1.55(4) . ?
C3S Cl6 1.78(4) . ?
C3S Cl6' 2.12(5) . ?
C4S Cl7 1.42(5) . ?
C4S Cl8 1.66(5) . ?
C5S Cl10 1.81(9) . ?
C5S Cl9 2.09(10) . ?
C6S Cl14 1.73(8) . ?
C6S Cl13 1.82(6) . ?
C6S Cl11 1.89(6) . ?
C6S Cl12 1.91(2) . ?
C7S Cl15 1.7(3) 4_565 ?
C7S Cl15 1.7(3) . ?
C8S Cl17 1.33(7) . ?
C8S Cl16 1.46(9) . ?
C9S Cl18 1.40(3) . ?
C9S Cl19 1.91(2) . ?
