Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes.
Jin-Long, ?; Matsuda, Yuki; Uemura, Kazuhiro; Ebihara, Masahiro; Inorganic chemistry 54 (2015) 2331–; doi:10.1021/ic502953b

data_4342443
_publ_section_title
;
 Mixed Valency in Quadruple Hydrogen-Bonded Dimers of
 Bis(biimidazolate)dirhodium Complexes.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2331
_journal_paper_doi               10.1021/ic502953b
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C22 H32 Cl2 N8 O4 Rh2, H2 O'
_chemical_formula_sum            'C22 H32 Cl2 N8 O5 Rh2'
_chemical_formula_weight         765.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 102.833(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.415(3)
_cell_length_b                   43.040(12)
_cell_length_c                   16.659(5)
_cell_measurement_reflns_used    10994
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     5883(3)
_computing_cell_refinement
;
Rigaku CrystalClear-SM Expert 2.1 b28
;
_computing_data_collection
;
Rigaku CrystalClear-SM Expert 2.1 b28
;
_computing_data_reduction
;
Rigaku CrystalClear-SM Expert 2.1 b28
;
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 11.6279
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0806
_diffrn_reflns_av_sigmaI/netI    0.1004
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -55
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32151
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         5.443
_refine_diff_density_min         -2.513
_refine_diff_density_rms         0.347
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_matrix_type           full
_refine_ls_number_parameters     707
_refine_ls_number_reflns         10735
_refine_ls_number_restraints     514
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.1065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0890P)^2^+609.1361P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2663
_refine_ls_wR_factor_ref         0.2776
_reflns_number_gt                9121
_reflns_number_total             10738
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic502953b_si_001.cif
_cod_data_source_block           '[1Cl2].H2O'
_cod_depositor_comments
'Adding full bibliography for 4342442--4342446.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4342443