Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone Derivative as a Bridging Ligand
Hiroumi Mitome; Tomoya Ishizuka; Yoshihiko Shiota; Kazunari Yoshizawa; Takahiko Kojima; Inorganic Chemistry 52 (2013) 2274–2276; doi:10.1021/ic302617b

data_4334029
_publ_section_title
;
 Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone
 Derivative as a Bridging Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2274
_journal_page_last               2276
_journal_paper_doi               10.1021/ic302617b
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C36 H25 Ag2 F12 N5 O21 Ru S4'
_chemical_formula_weight         1536.66
_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                102.265(2)
_cell_angle_beta                 100.557(2)
_cell_angle_gamma                96.661(2)
_cell_formula_units_Z            2
_cell_length_a                   13.628(2)
_cell_length_b                   13.863(2)
_cell_length_c                   15.446(2)
_cell_measurement_temperature    120(2)
_cell_volume                     2766.6(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8784
_diffrn_reflns_theta_full        20.78
_diffrn_reflns_theta_max         20.78
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    1.237
_exptl_absorpt_correction_T_max  0.9877
_exptl_absorpt_correction_T_min  0.8361
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green-brown
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_description       plate
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.574
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         5720
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0541
_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^)+(0.0719P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1225
_refine_ls_wR_factor_ref         0.1377
_reflns_number_gt                3124
_reflns_number_total             5720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302617b_si_002.cif
_cod_data_source_block           mitome8
_cod_original_cell_volume        2766.5(7)
_cod_database_code               4334029