Homologous Series of Redox-Active, Dinuclear Cations [M2(O2CCH3)2(pynp)2]2+ (M = Mo, Ru, Rh) with the Bridging Ligand 2-(2-Pyridyl)-1,8-naphthyridine (pynp)
Cristian Saul Campos-Fernández; Lisa M. Thomson; José Ramón Galán-Mascarós; Xiang Ouyang; Kim R. Dunbar; Inorganic Chemistry 41 (2002) 1523–1533; doi:10.1021/ic010996u

data_4317711
_publ_section_title
;
 Homologous Series of Redox-Active, Dinuclear Cations
 [M2(O2CCH3)2(pynp)2]2+ (M = Mo, Ru, Rh) with the Bridging Ligand
 2-(2-Pyridyl)-1,8-naphthyridine (pynp)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1523
_journal_page_last               1533
_journal_paper_doi               10.1021/ic010996u
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C36 H33 B2 F8 Mo2 N9 O4'
_chemical_formula_weight         1021.21
_chemical_name_systematic
;
  ?
;
_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                 108.06(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.134(5)
_cell_length_b                   14.301(6)
_cell_length_c                   19.990(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4113(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1456
_diffrn_reflns_av_sigmaI/netI    0.1321
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7493
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.697
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2040
_refine_diff_density_max         1.797
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7200
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1545
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0856P)^2^+33.0483P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.2064
_reflns_number_gt                4162
_reflns_number_total             7200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010996u_1.cif
_cod_data_source_block           '[Mo2(O2CCH3)2(pynp)2][BF4]2'
_cod_database_code               4317711