One-Dimensional Assemblies of Dirhodium Units Bridged by N,N'-Dicyanoquinonediimine Ligands
Hitoshi Miyasaka; Cristian S. Campos-Fernández; José Ramón Galán-Mascarós; Kim R. Dunbar; Inorganic Chemistry 39 (2000) 5870–5873; doi:10.1021/ic0007097

data_4321672
_publ_section_title
;
 One-Dimensional Assemblies of Dirhodium Units Bridged by
 N,N'-Dicyanoquinonediimine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5870
_journal_page_last               5873
_journal_paper_doi               10.1021/ic0007097
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C27 H14 F12 N4 O8 Rh2'
_chemical_formula_weight         956.24
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 96.92(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.534(2)
_cell_length_b                   8.427(2)
_cell_length_c                   22.693(5)
_cell_measurement_temperature    90(2)
_cell_volume                     1620.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al., 1997)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11514
_diffrn_reflns_theta_full        28.65
_diffrn_reflns_theta_max         28.65
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.143
_exptl_crystal_density_diffrn    1.960
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             932
_refine_diff_density_max         1.203
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       0.0008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         3826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0288
_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/[\s^2^(Fo^2^)+(0.0425P)^2^+1.1247P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                3323
_reflns_number_total             3826
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0007097_2.cif
_cod_data_source_block           '[Rh2(CF3CO2)4(DCNNQI)]'
_cod_original_cell_volume        1620.1(6)
_cod_database_code               4321672