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_4342444
_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         'C56 H54 N8 O4 P2 Rh2'
_chemical_formula_sum            'C56 H54 N8 O4 P2 Rh2'
_chemical_formula_weight         1170.83
_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                98.5520(6)
_cell_angle_beta                 97.2913(7)
_cell_angle_gamma                110.9130(11)
_cell_formula_units_Z            4
_cell_length_a                   14.6190(2)
_cell_length_b                   18.0709(3)
_cell_length_c                   21.7988(4)
_cell_measurement_temperature    90(2)
_cell_volume                     5217.63(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'synchrotron radiation KEK'
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.1418
_diffrn_reflns_av_sigmaI/netI    0.1008
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            126866
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  1.0561
_exptl_absorpt_correction_T_min  0.8977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[R. H. Blessing, Acta Cryst. (1995), A51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.816
_refine_diff_density_min         -2.042
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1301
_refine_ls_number_reflns         26289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0790
_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/[\s^2^(Fo^2^)+(0.0740P)^2^+40.8584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1968
_refine_ls_wR_factor_ref         0.2092
_reflns_number_gt                19924
_reflns_number_total             26289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502953b_si_005.cif
_cod_data_source_block           '[2prime(PPh3)2]2'
_cod_depositor_comments
'Adding full bibliography for 4342442--4342446.cif.'
_cod_database_code               4342444