#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/59/2105967.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105967
loop_
_publ_author_name
Jin-Long
'Uemura, Kazuhiro'
'Ebihara, Masahiro'
_publ_section_title
;
 Assembled structures of tetrakis(biimidazole)dirhodium complexes
 hydrogen-bonded with common inorganic anions
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1006
_journal_page_last               1019
_journal_paper_doi               10.1107/S2052520614021428
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C24 H28 N16 O2 Rh2, 4(Cl O4), 5(H2 O) '
_chemical_formula_sum            'C24 H38 Cl4 N16 O23 Rh2'
_chemical_formula_weight         1266.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.749(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.453(2)
_cell_length_b                   13.334(2)
_cell_length_c                   24.906(4)
_cell_measurement_reflns_used    11005
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4465.6(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Molecular Structure Corporation & Rigaku Corporation, 2001)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            34616
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.03
_diffrn_source                   'rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    1.080
_exptl_absorpt_correction_T_max  0.8149
_exptl_absorpt_correction_T_min  0.7310
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         10190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0753P)²+6.5586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1627
_reflns_number_gt                8188
_reflns_number_total             10190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ry5061sup1.cif
_cod_data_source_block           II
_cod_original_cell_volume        4465.5(13)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               2105967
#BEGIN Tags that were not found in dictionaries:
_publcif_datablock.id            {111100d7-2f7a-4476-8245-b6774a9e4ccb}
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.53955(2) 0.26880(3) 0.600046(13) 0.03340(11) Uani 1 1 d . . .
Rh2 Rh 0.69975(2) 0.26866(3) 0.664573(14) 0.03684(12) Uani 1 1 d . . .
N1 N 0.4434(3) 0.2821(3) 0.66190(15) 0.0390(8) Uani 1 1 d . . .
C1 C 0.4049(3) 0.1948(4) 0.6768(2) 0.0447(10) Uani 1 1 d . . .
N2 N 0.3366(3) 0.2092(4) 0.7139(2) 0.0639(13) Uani 1 1 d . . .
H2N H 0.3023 0.1631 0.7287 0.077 Uiso 1 1 calc R . .
C2 C 0.3304(4) 0.3090(5) 0.7241(3) 0.0698(17) Uani 1 1 d . . .
H2 H 0.2892 0.3401 0.7484 0.084 Uiso 1 1 calc R . .
C3 C 0.3976(4) 0.3550(4) 0.6912(2) 0.0536(12) Uani 1 1 d . . .
H3 H 0.4097 0.4235 0.6893 0.064 Uiso 1 1 calc R . .
N3 N 0.5097(3) 0.1203(3) 0.61424(15) 0.0396(8) Uani 1 1 d . . .
C4 C 0.4409(3) 0.1066(4) 0.6505(2) 0.0442(10) Uani 1 1 d . . .
N4 N 0.4204(3) 0.0088(3) 0.65627(19) 0.0543(11) Uani 1 1 d . . .
H4N H 0.3783 -0.0167 0.6777 0.065 Uiso 1 1 calc R . .
C5 C 0.4781(4) -0.0421(4) 0.6223(2) 0.0582(13) Uani 1 1 d . . .
H5 H 0.4799 -0.1113 0.6178 0.070 Uiso 1 1 calc R . .
C6 C 0.5336(4) 0.0268(4) 0.5956(2) 0.0506(12) Uani 1 1 d . . .
H6 H 0.5794 0.0128 0.5695 0.061 Uiso 1 1 calc R . .
N5 N 0.5593(2) 0.4171(3) 0.58141(14) 0.0364(8) Uani 1 1 d . . .
C7 C 0.6056(3) 0.4311(3) 0.53579(18) 0.0385(9) Uani 1 1 d . . .
N6 N 0.6104(3) 0.5293(3) 0.52416(16) 0.0436(9) Uani 1 1 d . . .
H6N H 0.6375 0.5556 0.4967 0.052 Uiso 1 1 calc R . .
C8 C 0.5643(3) 0.5798(4) 0.5641(2) 0.0463(11) Uani 1 1 d . . .
H8 H 0.5557 0.6488 0.5668 0.056 Uiso 1 1 calc R . .
C9 C 0.5337(3) 0.5098(4) 0.59883(19) 0.0428(10) Uani 1 1 d . . .
H9 H 0.5001 0.5230 0.6301 0.051 Uiso 1 1 calc R . .
N7 N 0.6206(3) 0.2559(3) 0.53224(15) 0.0390(8) Uani 1 1 d . . .
C10 C 0.6384(3) 0.3432(4) 0.50845(17) 0.0396(9) Uani 1 1 d . . .
N8 N 0.6826(3) 0.3280(3) 0.46160(17) 0.0536(10) Uani 1 1 d . . .
H8N H 0.7016 0.3736 0.4398 0.064 Uiso 1 1 calc R . .
C11 C 0.6920(4) 0.2273(4) 0.4549(2) 0.0585(14) Uani 1 1 d . . .
H11 H 0.7195 0.1953 0.4257 0.070 Uiso 1 1 calc R . .
C12 C 0.6539(4) 0.1817(4) 0.4986(2) 0.0504(11) Uani 1 1 d . . .
H12 H 0.6509 0.1130 0.5047 0.061 Uiso 1 1 calc R . .
N9 N 0.6384(3) 0.3734(3) 0.71439(15) 0.0423(8) Uani 1 1 d . . .
C13 C 0.5952(4) 0.3336(4) 0.7567(2) 0.0512(12) Uani 1 1 d . . .
N10 N 0.5627(4) 0.4057(4) 0.78885(18) 0.0664(13) Uani 1 1 d . . .
H10N H 0.5319 0.3970 0.8182 0.080 Uiso 1 1 calc R . .
C14 C 0.5871(5) 0.4961(5) 0.7667(2) 0.0676(16) Uani 1 1 d . . .
H14 H 0.5738 0.5595 0.7804 0.081 Uiso 1 1 calc R . .
C15 C 0.6344(4) 0.4748(4) 0.7210(2) 0.0531(12) Uani 1 1 d . . .
H15 H 0.6601 0.5220 0.6976 0.064 Uiso 1 1 calc R . .
N11 N 0.6335(3) 0.1765(3) 0.71885(15) 0.0453(9) Uani 1 1 d . . .
C16 C 0.5913(4) 0.2257(4) 0.7586(2) 0.0502(12) Uani 1 1 d . . .
N12 N 0.5527(3) 0.1611(4) 0.79328(18) 0.0635(12) Uani 1 1 d . . .
H12N H 0.5212 0.1765 0.8217 0.076 Uiso 1 1 calc R . .
C17 C 0.5720(4) 0.0677(5) 0.7758(2) 0.0627(15) Uani 1 1 d . . .
H17 H 0.5539 0.0082 0.7924 0.075 Uiso 1 1 calc R . .
C18 C 0.6224(4) 0.0763(4) 0.7299(2) 0.0520(12) Uani 1 1 d . . .
H18 H 0.6456 0.0234 0.7093 0.062 Uiso 1 1 calc R . .
N13 N 0.7779(3) 0.3618(3) 0.61590(15) 0.0396(8) Uani 1 1 d . . .
C19 C 0.8386(3) 0.3131(4) 0.58366(19) 0.0442(10) Uani 1 1 d . . .
N14 N 0.8953(3) 0.3771(4) 0.55698(18) 0.0559(11) Uani 1 1 d . . .
H14N H 0.9392 0.3618 0.5340 0.067 Uiso 1 1 calc R . .
C20 C 0.8703(4) 0.4718(4) 0.5732(2) 0.0602(14) Uani 1 1 d . . .
H20 H 0.8976 0.5317 0.5614 0.072 Uiso 1 1 calc R . .
C21 C 0.7992(4) 0.4617(4) 0.6093(2) 0.0489(11) Uani 1 1 d . . .
H21 H 0.7689 0.5143 0.6271 0.059 Uiso 1 1 calc R . .
N15 N 0.7704(3) 0.1651(3) 0.61760(16) 0.0429(8) Uani 1 1 d . . .
C22 C 0.8347(3) 0.2059(4) 0.5846(2) 0.0448(10) Uani 1 1 d . . .
N16 N 0.8832(3) 0.1360(4) 0.55801(19) 0.0566(11) Uani 1 1 d . . .
H16N H 0.9273 0.1460 0.5343 0.068 Uiso 1 1 calc R . .
C23 C 0.8496(4) 0.0443(4) 0.5755(2) 0.0610(14) Uani 1 1 d . . .
H23 H 0.8704 -0.0185 0.5641 0.073 Uiso 1 1 calc R . .
C24 C 0.7804(4) 0.0632(4) 0.6123(2) 0.0519(12) Uani 1 1 d . . .
H24 H 0.7454 0.0151 0.6311 0.062 Uiso 1 1 calc R . .
O1 O 0.3963(3) 0.2753(3) 0.54537(15) 0.0538(9) Uani 1 1 d . . .
O2 O 0.8362(3) 0.2659(4) 0.72130(19) 0.0794(14) Uani 1 1 d . . .
Cl1 Cl 0.82216(13) 0.56104(17) 0.41178(8) 0.0877(6) Uani 1 1 d . . .
O3 O 0.7225(3) 0.5342(4) 0.4201(2) 0.0953(16) Uani 1 1 d . . .
O4 O 0.8275(8) 0.6651(8) 0.4169(5) 0.251(6) Uani 1 1 d . . .
O5 O 0.8534(5) 0.5347(7) 0.3606(3) 0.147(3) Uani 1 1 d . . .
O6 O 0.8836(5) 0.5176(10) 0.4482(3) 0.226(6) Uani 1 1 d . . .
Cl2 Cl 0.62259(12) 0.29621(12) 0.31100(6) 0.0670(4) Uani 1 1 d . . .
O7 O 0.6129(5) 0.3492(7) 0.2641(3) 0.176(4) Uani 1 1 d . . .
O8 O 0.7027(8) 0.3402(10) 0.3378(3) 0.247(7) Uani 1 1 d . . .
O9 O 0.5418(6) 0.2932(5) 0.3436(4) 0.160(3) Uani 1 1 d . . .
O10 O 0.6425(7) 0.1999(5) 0.3012(5) 0.220(5) Uani 1 1 d . . .
Cl3 Cl 0.37165(15) 0.4949(2) 0.89392(11) 0.1040(7) Uani 1 1 d . . .
O11 O 0.4298(10) 0.4154(12) 0.8840(6) 0.288(7) Uani 1 1 d . . .
O12 O 0.2801(5) 0.4730(9) 0.8978(6) 0.280(8) Uani 1 1 d . . .
O13 O 0.3977(9) 0.5226(14) 0.9437(4) 0.312(9) Uani 1 1 d . . .
O14 O 0.4004(10) 0.5565(10) 0.8582(5) 0.260(6) Uani 1 1 d . . .
Cl4A Cl 0.7636(3) 0.2821(2) 0.87174(16) 0.0626(10) Uani 0.649(8) 1 d P A 1
O15A O 0.7851(6) 0.3493(5) 0.8278(3) 0.081(2) Uani 0.649(8) 1 d P A 1
Cl4B Cl 0.7282(6) 0.2572(5) 0.8980(4) 0.081(2) Uani 0.351(8) 1 d P A 2
O15B O 0.7235(13) 0.1923(12) 0.9389(8) 0.119(7) Uani 0.351(8) 1 d P A 2
O16 O 0.6564(5) 0.3039(5) 0.8873(3) 0.123(2) Uani 1 1 d . . .
O17 O 0.7675(5) 0.1868(4) 0.8526(3) 0.113(2) Uani 1 1 d . . .
O18 O 0.8267(5) 0.3083(5) 0.9135(2) 0.121(2) Uani 1 1 d . . .
O19 O 0.2799(5) 0.0158(4) 0.7481(2) 0.115(2) Uani 1 1 d . . .
O20 O 0.4216(6) 0.2069(7) 0.8760(3) 0.168(3) Uani 1 1 d . . .
O21 O 1.0149(5) 0.2533(5) 0.4893(3) 0.116(2) Uani 1 1 d . . .
O22 O 0.3310(4) 0.0906(4) 0.5107(2) 0.1086(18) Uani 1 1 d . . .
O23 O 1.0140(5) 0.2828(8) 0.6767(4) 0.215(5) Uani 1 1 d . . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N7 Rh1 N1 173.08(14) y
N7 Rh1 N5 79.53(15) y
N1 Rh1 N5 100.15(15) y
N7 Rh1 N3 99.95(15) y
N1 Rh1 N3 79.78(15) y
N5 Rh1 N3 175.18(13) y
N7 Rh1 O1 88.46(14) y
N1 Rh1 O1 84.62(14) y
N5 Rh1 O1 86.72(12) y
N3 Rh1 O1 88.48(13) y
N7 Rh1 Rh2 93.23(10) y
N1 Rh1 Rh2 93.69(10) y
N5 Rh1 Rh2 91.67(9) y
N3 Rh1 Rh2 93.14(10) y
O1 Rh1 Rh2 177.42(10) y
N13 Rh2 N11 174.14(14) y
N13 Rh2 N9 99.67(16) y
N11 Rh2 N9 79.56(17) y
N13 Rh2 N15 79.41(16) y
N11 Rh2 N15 100.95(17) y
N9 Rh2 N15 176.01(14) y
N13 Rh2 O2 87.62(16) y
N11 Rh2 O2 86.54(16) y
N9 Rh2 O2 88.12(16) y
N15 Rh2 O2 87.96(16) y
N13 Rh2 Rh1 93.64(9) y
N11 Rh2 Rh1 92.20(10) y
N9 Rh2 Rh1 91.82(10) y
N15 Rh2 Rh1 92.11(10) y
O2 Rh2 Rh1 178.73(13) y
C1 N1 C3 106.6(4) ?
C1 N1 Rh1 113.2(3) ?
C3 N1 Rh1 139.9(3) ?
N1 C1 N2 110.3(5) ?
N1 C1 C4 116.7(4) ?
N2 C1 C4 132.9(5) ?
C1 N2 C2 108.6(4) ?
C1 N2 H2N 125.7 ?
C2 N2 H2N 125.7 ?
N2 C2 C3 106.1(5) ?
N2 C2 H2 126.9 ?
C3 C2 H2 126.9 ?
N1 C3 C2 108.3(5) ?
N1 C3 H3 125.9 ?
C2 C3 H3 125.9 ?
C4 N3 C6 106.4(4) ?
C4 N3 Rh1 113.2(3) ?
C6 N3 Rh1 140.2(3) ?
N3 C4 N4 110.9(4) ?
N3 C4 C1 116.8(4) ?
N4 C4 C1 132.3(5) ?
C4 N4 C5 107.3(4) ?
C4 N4 H4N 126.3 ?
C5 N4 H4N 126.3 ?
N4 C5 C6 107.4(5) ?
N4 C5 H5 126.3 ?
C6 C5 H5 126.3 ?
C5 C6 N3 108.0(5) ?
C5 C6 H6 126.0 ?
N3 C6 H6 126.0 ?
C7 N5 C9 106.0(4) ?
C7 N5 Rh1 113.5(3) ?
C9 N5 Rh1 140.3(3) ?
N5 C7 N6 110.5(4) ?
N5 C7 C10 116.8(4) ?
N6 C7 C10 132.7(4) ?
C7 N6 C8 107.3(4) ?
C7 N6 H6N 126.3 ?
C8 N6 H6N 126.3 ?
C9 C8 N6 106.3(4) ?
C9 C8 H8 126.9 ?
N6 C8 H8 126.9 ?
C8 C9 N5 110.0(4) ?
C8 C9 H9 125.0 ?
N5 C9 H9 125.0 ?
C10 N7 C12 106.9(4) ?
C10 N7 Rh1 113.7(3) ?
C12 N7 Rh1 138.9(3) ?
N7 C10 N8 110.2(4) ?
N7 C10 C7 116.2(4) ?
N8 C10 C7 133.5(4) ?
C10 N8 C11 107.5(4) ?
C10 N8 H8N 126.2 ?
C11 N8 H8N 126.2 ?
N8 C11 C12 107.8(5) ?
N8 C11 H11 126.1 ?
C12 C11 H11 126.1 ?
C11 C12 N7 107.6(5) ?
C11 C12 H12 126.2 ?
N7 C12 H12 126.2 ?
C13 N9 C15 106.3(4) ?
C13 N9 Rh2 113.6(3) ?
C15 N9 Rh2 139.8(4) ?
N9 C13 N10 110.3(5) ?
N9 C13 C16 116.2(4) ?
N10 C13 C16 133.5(5) ?
C13 N10 C14 107.8(5) ?
C13 N10 H10N 126.1 ?
C14 N10 H10N 126.1 ?
C15 C14 N10 106.2(5) ?
C15 C14 H14 126.9 ?
N10 C14 H14 126.9 ?
C14 C15 N9 109.3(5) ?
C14 C15 H15 125.3 ?
N9 C15 H15 125.3 ?
C16 N11 C18 106.3(4) ?
C16 N11 Rh2 113.5(3) ?
C18 N11 Rh2 140.1(4) ?
N11 C16 N12 110.3(5) ?
N11 C16 C13 116.9(4) ?
N12 C16 C13 132.8(5) ?
C16 N12 C17 107.7(5) ?
C16 N12 H12N 126.1 ?
C17 N12 H12N 126.1 ?
N12 C17 C18 107.6(5) ?
N12 C17 H17 126.2 ?
C18 C17 H17 126.2 ?
C17 C18 N11 108.1(5) ?
C17 C18 H18 126.0 ?
N11 C18 H18 126.0 ?
C19 N13 C21 105.5(4) ?
C19 N13 Rh2 113.3(3) ?
C21 N13 Rh2 140.5(3) ?
N13 C19 N14 111.0(5) ?
N13 C19 C22 117.0(4) ?
N14 C19 C22 132.0(5) ?
C19 N14 C20 107.1(5) ?
C19 N14 H14N 126.5 ?
C20 N14 H14N 126.5 ?
C21 C20 N14 106.9(5) ?
C21 C20 H20 126.5 ?
N14 C20 H20 126.5 ?
C20 C21 N13 109.5(5) ?
C20 C21 H21 125.3 ?
N13 C21 H21 125.3 ?
C22 N15 C24 106.2(4) ?
C22 N15 Rh2 113.4(3) ?
C24 N15 Rh2 140.0(4) ?
N16 C22 N15 111.2(5) ?
N16 C22 C19 132.4(5) ?
N15 C22 C19 116.4(4) ?
C22 N16 C23 107.1(5) ?
C22 N16 H16N 126.5 ?
C23 N16 H16N 126.5 ?
C24 C23 N16 106.7(5) ?
C24 C23 H23 126.6 ?
N16 C23 H23 126.6 ?
C23 C24 N15 108.8(5) ?
C23 C24 H24 125.6 ?
N15 C24 H24 125.6 ?
O6 Cl1 O4 109.8(8) ?
O6 Cl1 O5 108.1(6) ?
O4 Cl1 O5 108.5(6) ?
O6 Cl1 O3 111.1(4) ?
O4 Cl1 O3 106.6(5) ?
O5 Cl1 O3 112.6(4) ?
O10 Cl2 O7 110.8(7) ?
O10 Cl2 O9 104.2(4) ?
O7 Cl2 O9 117.5(5) ?
O10 Cl2 O8 109.8(8) ?
O7 Cl2 O8 104.3(5) ?
O9 Cl2 O8 110.2(6) ?
O12 Cl3 O14 120.9(8) ?
O12 Cl3 O13 102.8(9) ?
O14 Cl3 O13 113.1(9) ?
O12 Cl3 O11 113.8(10) ?
O14 Cl3 O11 100.8(9) ?
O13 Cl3 O11 104.6(10) ?
O17 Cl4A O18 118.4(4) ?
O17 Cl4A O15A 107.6(5) ?
O18 Cl4A O15A 106.4(5) ?
O17 Cl4A O16 108.2(5) ?
O18 Cl4A O16 109.1(4) ?
O15A Cl4A O16 106.6(4) ?
O16 Cl4B O15B 117.3(12) ?
O16 Cl4B O18 121.4(7) ?
O15B Cl4B O18 99.1(9) ?
O16 Cl4B O17 116.4(7) ?
O15B Cl4B O17 100.8(9) ?
O18 Cl4B O17 98.0(6) ?
Cl4B O16 Cl4A 35.2(5) ?
Cl4A O17 Cl4B 34.2(3) ?
Cl4A O18 Cl4B 35.1(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 N7 2.045(4) y
Rh1 N1 2.049(4) y
Rh1 N5 2.050(4) y
Rh1 N3 2.054(4) y
Rh1 O1 2.328(3) y
Rh1 Rh2 2.6488(6) y
Rh2 N13 2.048(4) y
Rh2 N11 2.051(4) y
Rh2 N9 2.057(4) y
Rh2 N15 2.061(4) y
Rh2 O2 2.282(4) y
N1 C1 1.331(6) ?
N1 C3 1.373(6) ?
C1 N2 1.337(6) ?
C1 C4 1.436(7) ?
N2 C2 1.357(8) ?
N2 H2N 0.8600 ?
C2 C3 1.382(7) ?
C2 H2 0.9300 ?
C3 H3 0.9300 ?
N3 C4 1.325(6) ?
N3 C6 1.371(6) ?
C4 N4 1.342(6) ?
N4 C5 1.348(7) ?
N4 H4N 0.8600 ?
C5 C6 1.369(7) ?
C5 H5 0.9300 ?
C6 H6 0.9300 ?
N5 C7 1.325(6) ?
N5 C9 1.359(6) ?
C7 N6 1.343(6) ?
C7 C10 1.432(7) ?
N6 C8 1.366(6) ?
N6 H6N 0.8600 ?
C8 C9 1.345(7) ?
C8 H8 0.9300 ?
C9 H9 0.9300 ?
N7 C10 1.332(6) ?
N7 C12 1.379(6) ?
C10 N8 1.341(6) ?
N8 C11 1.359(7) ?
N8 H8N 0.8600 ?
C11 C12 1.360(7) ?
C11 H11 0.9300 ?
C12 H12 0.9300 ?
N9 C13 1.330(6) ?
N9 C15 1.364(6) ?
C13 N10 1.334(7) ?
C13 C16 1.440(8) ?
N10 C14 1.370(8) ?
N10 H10N 0.8600 ?
C14 C15 1.352(8) ?
C14 H14 0.9300 ?
C15 H15 0.9300 ?
N11 C16 1.329(6) ?
N11 C18 1.373(6) ?
C16 N12 1.336(7) ?
N12 C17 1.347(8) ?
N12 H12N 0.8600 ?
C17 C18 1.354(8) ?
C17 H17 0.9300 ?
C18 H18 0.9300 ?
N13 C19 1.332(6) ?
N13 C21 1.374(6) ?
C19 N14 1.335(6) ?
C19 C22 1.430(7) ?
N14 C20 1.372(7) ?
N14 H14N 0.8600 ?
C20 C21 1.339(7) ?
C20 H20 0.9300 ?
C21 H21 0.9300 ?
N15 C22 1.327(6) ?
N15 C24 1.372(6) ?
C22 N16 1.327(6) ?
N16 C23 1.379(7) ?
N16 H16N 0.8600 ?
C23 C24 1.350(8) ?
C23 H23 0.9300 ?
C24 H24 0.9300 ?
Cl1 O6 1.340(7) ?
Cl1 O4 1.395(9) ?
Cl1 O5 1.399(6) ?
Cl1 O3 1.409(4) ?
Cl2 O10 1.336(7) ?
Cl2 O7 1.368(6) ?
Cl2 O9 1.376(6) ?
Cl2 O8 1.381(7) ?
Cl3 O12 1.273(7) ?
Cl3 O14 1.278(9) ?
Cl3 O13 1.330(11) ?
Cl3 O11 1.344(12) ?
Cl4A O17 1.360(6) ?
Cl4A O18 1.367(6) ?
Cl4A O15A 1.449(8) ?
Cl4A O16 1.532(8) ?
Cl4B O16 1.173(8) ?
Cl4B O15B 1.34(2) ?
Cl4B O18 1.529(9) ?
Cl4B O17 1.574(11) ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_site_symmetry_2
_geom_contact_distance
_geom_contact_publ_flag
O20 O11 . 2.790(18) y
O22 O1 . 2.744(6) y
O23 O2 . 2.678(8) y
O19 O7 4_566 2.916(9) y
O19 O8 4_566 3.146(11) y
O19 O5 4_566 3.018(9) y
O20 O21 4_566 3.100(10) y
O20 O8 4_566 3.131(12) y
O18 O22 4_666 2.770(8) y
O23 O7 4_666 3.070(12) y
O21 O15B 4_665 3.193(18) y
O22 O12 2_546 3.177(14) y
O21 O4 3_766 3.291(13) y
O23 O5 3_766 3.173(12) y
O23 O4 3_766 3.281(15) y
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N2 H2N O19 . 0.86 2.05 2.829(7) 150.9 y
N4 H4N O19 . 0.86 2.27 3.013(7) 144.5 y
N4 H4N O10 3_656 0.86 2.52 3.104(8) 126.4 y
N6 H6N O3 . 0.86 2.27 3.038(7) 148.7 y
N6 H6N O1 3_666 0.86 2.52 3.128(5) 128.2 y
N8 H8N O3 . 0.86 2.22 2.991(7) 149.9 y
N8 H8N O8 . 0.86 2.58 3.107(8) 120.7 y
N10 H10N O11 . 0.86 2.18 3.014(13) 162.5 y
N12 H12N O20 . 0.86 1.97 2.819(8) 166.8 y
N14 H14N O21 . 0.86 2.11 2.884(8) 150.2 y
N16 H16N O21 . 0.86 2.18 2.949(8) 148.0 y
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_publ_flag
N7 Rh1 Rh2 N13 42.27(15) ?
N1 Rh1 Rh2 N13 -137.62(15) ?
N5 Rh1 Rh2 N13 -37.33(15) y
N3 Rh1 Rh2 N13 142.43(15) ?
O1 Rh1 Rh2 N13 -89(2) ?
N7 Rh1 Rh2 N11 -138.30(16) ?
N1 Rh1 Rh2 N11 41.81(16) ?
N5 Rh1 Rh2 N11 142.10(16) ?
N3 Rh1 Rh2 N11 -38.13(16) y
O1 Rh1 Rh2 N11 91(2) ?
N7 Rh1 Rh2 N9 142.09(16) ?
N1 Rh1 Rh2 N9 -37.81(15) y
N5 Rh1 Rh2 N9 62.48(15) ?
N3 Rh1 Rh2 N9 -117.75(15) ?
O1 Rh1 Rh2 N9 11(2) ?
N7 Rh1 Rh2 N15 -37.25(16) y
N1 Rh1 Rh2 N15 142.86(15) ?
N5 Rh1 Rh2 N15 -116.85(15) ?
N3 Rh1 Rh2 N15 62.91(15) ?
O1 Rh1 Rh2 N15 -168(2) ?
N7 Rh1 Rh2 O2 -131(6) ?
N1 Rh1 Rh2 O2 49(6) ?
N5 Rh1 Rh2 O2 150(6) ?
N3 Rh1 Rh2 O2 -31(6) ?
O1 Rh1 Rh2 O2 98(6) ?
N7 Rh1 N1 C1 83.3(13) ?
N5 Rh1 N1 C1 170.0(3) ?
N3 Rh1 N1 C1 -5.1(3) ?
O1 Rh1 N1 C1 84.3(3) ?
Rh2 Rh1 N1 C1 -97.6(3) ?
N7 Rh1 N1 C3 -89.2(13) ?
N5 Rh1 N1 C3 -2.5(5) ?
N3 Rh1 N1 C3 -177.6(5) ?
O1 Rh1 N1 C3 -88.2(5) ?
Rh2 Rh1 N1 C3 89.9(5) ?
C3 N1 C1 N2 0.3(6) ?
Rh1 N1 C1 N2 -174.6(3) ?
C3 N1 C1 C4 179.1(4) ?
Rh1 N1 C1 C4 4.1(5) ?
N1 C1 N2 C2 -0.5(6) ?
C4 C1 N2 C2 -179.0(5) ?
C1 N2 C2 C3 0.5(7) ?
C1 N1 C3 C2 0.0(6) ?
Rh1 N1 C3 C2 172.8(4) ?
N2 C2 C3 N1 -0.3(7) ?
N7 Rh1 N3 C4 -167.6(3) ?
N1 Rh1 N3 C4 5.4(3) ?
N5 Rh1 N3 C4 -84.2(18) ?
O1 Rh1 N3 C4 -79.4(3) ?
Rh2 Rh1 N3 C4 98.6(3) ?
N7 Rh1 N3 C6 6.8(5) ?
N1 Rh1 N3 C6 179.7(5) ?
N5 Rh1 N3 C6 90.1(18) ?
O1 Rh1 N3 C6 94.9(5) ?
Rh2 Rh1 N3 C6 -87.1(5) ?
C6 N3 C4 N4 0.6(5) ?
Rh1 N3 C4 N4 176.8(3) ?
C6 N3 C4 C1 178.9(4) ?
Rh1 N3 C4 C1 -4.9(5) ?
N1 C1 C4 N3 0.5(6) ?
N2 C1 C4 N3 178.9(5) ?
N1 C1 C4 N4 178.4(5) ?
N2 C1 C4 N4 -3.2(9) ?
N3 C4 N4 C5 -0.2(6) ?
C1 C4 N4 C5 -178.1(5) ?
C4 N4 C5 C6 -0.3(6) ?
N4 C5 C6 N3 0.6(6) ?
C4 N3 C6 C5 -0.7(5) ?
Rh1 N3 C6 C5 -175.3(4) ?
N7 Rh1 N5 C7 4.2(3) ?
N1 Rh1 N5 C7 -168.8(3) ?
N3 Rh1 N5 C7 -80.1(18) ?
O1 Rh1 N5 C7 -84.9(3) ?
Rh2 Rh1 N5 C7 97.1(3) ?
N7 Rh1 N5 C9 177.6(4) ?
N1 Rh1 N5 C9 4.6(4) ?
N3 Rh1 N5 C9 93.3(18) ?
O1 Rh1 N5 C9 88.5(4) ?
Rh2 Rh1 N5 C9 -89.5(4) ?
C9 N5 C7 N6 0.3(4) ?
Rh1 N5 C7 N6 176.0(2) ?
C9 N5 C7 C10 -178.6(3) ?
Rh1 N5 C7 C10 -3.0(4) ?
N5 C7 N6 C8 -0.5(5) ?
C10 C7 N6 C8 178.2(4) ?
C7 N6 C8 C9 0.4(5) ?
N6 C8 C9 N5 -0.2(5) ?
C7 N5 C9 C8 -0.1(5) ?
Rh1 N5 C9 C8 -173.8(3) ?
N1 Rh1 N7 C10 83.2(13) ?
N5 Rh1 N7 C10 -4.8(3) ?
N3 Rh1 N7 C10 170.3(3) ?
O1 Rh1 N7 C10 82.1(3) ?
Rh2 Rh1 N7 C10 -95.9(3) ?
N1 Rh1 N7 C12 -86.3(13) ?
N5 Rh1 N7 C12 -174.3(5) ?
N3 Rh1 N7 C12 0.8(5) ?
O1 Rh1 N7 C12 -87.4(5) ?
Rh2 Rh1 N7 C12 94.6(5) ?
C12 N7 C10 N8 -0.8(5) ?
Rh1 N7 C10 N8 -173.6(3) ?
C12 N7 C10 C7 177.6(4) ?
Rh1 N7 C10 C7 4.7(5) ?
N5 C7 C10 N7 -1.2(5) ?
N6 C7 C10 N7 -179.8(4) ?
N5 C7 C10 N8 176.7(4) ?
N6 C7 C10 N8 -2.0(8) ?
N7 C10 N8 C11 0.9(5) ?
C7 C10 N8 C11 -177.0(5) ?
C10 N8 C11 C12 -0.7(6) ?
N8 C11 C12 N7 0.2(6) ?
C10 N7 C12 C11 0.3(6) ?
Rh1 N7 C12 C11 170.3(4) ?
N13 Rh2 N9 C13 -169.7(3) ?
N11 Rh2 N9 C13 4.4(3) ?
N15 Rh2 N9 C13 -93(2) ?
O2 Rh2 N9 C13 -82.4(3) ?
Rh1 Rh2 N9 C13 96.3(3) ?
N13 Rh2 N9 C15 2.8(5) ?
N11 Rh2 N9 C15 176.9(5) ?
N15 Rh2 N9 C15 79(2) ?
O2 Rh2 N9 C15 90.1(5) ?
Rh1 Rh2 N9 C15 -91.2(5) ?
C15 N9 C13 N10 1.2(6) ?
Rh2 N9 C13 N10 176.1(3) ?
C15 N9 C13 C16 -179.7(4) ?
Rh2 N9 C13 C16 -4.7(5) ?
N9 C13 N10 C14 -0.8(6) ?
C16 C13 N10 C14 -179.8(5) ?
C13 N10 C14 C15 0.1(6) ?
N10 C14 C15 N9 0.6(6) ?
C13 N9 C15 C14 -1.1(6) ?
Rh2 N9 C15 C14 -174.0(4) ?
N13 Rh2 N11 C16 79.6(16) ?
N9 Rh2 N11 C16 -3.4(3) ?
N15 Rh2 N11 C16 172.5(3) ?
O2 Rh2 N11 C16 85.3(3) ?
Rh1 Rh2 N11 C16 -94.9(3) ?
N13 Rh2 N11 C18 -95.4(16) ?
N9 Rh2 N11 C18 -178.4(5) ?
N15 Rh2 N11 C18 -2.5(5) ?
O2 Rh2 N11 C18 -89.7(5) ?
Rh1 Rh2 N11 C18 90.1(5) ?
C18 N11 C16 N12 -1.2(6) ?
Rh2 N11 C16 N12 -177.9(3) ?
C18 N11 C16 C13 178.7(4) ?
Rh2 N11 C16 C13 2.0(5) ?
N9 C13 C16 N11 1.8(7) ?
N10 C13 C16 N11 -179.3(5) ?
N9 C13 C16 N12 -178.3(5) ?
N10 C13 C16 N12 0.7(10) ?
N11 C16 N12 C17 1.0(6) ?
C13 C16 N12 C17 -178.9(5) ?
C16 N12 C17 C18 -0.3(6) ?
N12 C17 C18 N11 -0.4(6) ?
C16 N11 C18 C17 1.0(5) ?
Rh2 N11 C18 C17 176.2(4) ?
N11 Rh2 N13 C19 88.5(16) ?
N9 Rh2 N13 C19 170.5(3) ?
N15 Rh2 N13 C19 -5.5(3) ?
O2 Rh2 N13 C19 82.8(3) ?
Rh1 Rh2 N13 C19 -97.0(3) ?
N11 Rh2 N13 C21 -80.3(17) ?
N9 Rh2 N13 C21 1.7(5) ?
N15 Rh2 N13 C21 -174.4(5) ?
O2 Rh2 N13 C21 -86.0(5) ?
Rh1 Rh2 N13 C21 94.2(5) ?
C21 N13 C19 N14 -0.8(5) ?
Rh2 N13 C19 N14 -173.4(3) ?
C21 N13 C19 C22 177.3(4) ?
Rh2 N13 C19 C22 4.7(5) ?
N13 C19 N14 C20 0.5(5) ?
C22 C19 N14 C20 -177.2(5) ?
C19 N14 C20 C21 0.0(6) ?
N14 C20 C21 N13 -0.5(6) ?
C19 N13 C21 C20 0.8(5) ?
Rh2 N13 C21 C20 170.2(4) ?
N13 Rh2 N15 C22 5.7(3) ?
N11 Rh2 N15 C22 -168.4(3) ?
N9 Rh2 N15 C22 -71(2) ?
O2 Rh2 N15 C22 -82.3(3) ?
Rh1 Rh2 N15 C22 99.0(3) ?
N13 Rh2 N15 C24 177.1(5) ?
N11 Rh2 N15 C24 3.1(5) ?
N9 Rh2 N15 C24 100(2) ?
O2 Rh2 N15 C24 89.2(5) ?
Rh1 Rh2 N15 C24 -89.6(5) ?
C24 N15 C22 N16 1.4(5) ?
Rh2 N15 C22 N16 175.7(3) ?
C24 N15 C22 C19 -179.3(4) ?
Rh2 N15 C22 C19 -5.0(5) ?
N13 C19 C22 N16 179.4(5) ?
N14 C19 C22 N16 -3.0(9) ?
N13 C19 C22 N15 0.2(6) ?
N14 C19 C22 N15 177.8(5) ?
N15 C22 N16 C23 -1.1(6) ?
C19 C22 N16 C23 179.7(5) ?
C22 N16 C23 C24 0.4(6) ?
N16 C23 C24 N15 0.4(6) ?
C22 N15 C24 C23 -1.1(6) ?
Rh2 N15 C24 C23 -172.9(4) ?
