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_4321671
_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            'C24 H14 F12 N4 O8 Rh2'
_chemical_formula_weight         920.21
_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                67.555(5)
_cell_angle_beta                 88.810(5)
_cell_angle_gamma                63.899(5)
_cell_formula_units_Z            1
_cell_length_a                   8.570(5)
_cell_length_b                   9.135(5)
_cell_length_c                   11.871(5)
_cell_measurement_temperature    100(2)
_cell_volume                     759.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_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  0.0760
_diffrn_reflns_av_sigmaI/netI    0.1349
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9118
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.215
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             448
_refine_diff_density_max         1.774
_refine_diff_density_min         -1.600
_refine_diff_density_rms         0.293
_refine_ls_extinction_coef       0.031(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   0.991
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1161
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          7.297
_refine_ls_shift/su_mean         0.518
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0823P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1312
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                2117
_reflns_number_total             3622
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0007097_1.cif
_cod_data_source_block           '[Rh2(CF3CO2)4(DMDCNQI)]'
_cod_database_code               4321671