Ruthenium(II) Ammine and Hydrazine Complexes with [N(Ph2PQ)2]- (Q = S, Se) Ligands
Qian-Feng Zhang; Hegen Zheng; Wai-Yeung Wong; Wing-Tak Wong; Wa-Hung Leung; Inorganic Chemistry 39 (2000) 5255–5264; doi:10.1021/ic000291c

data_4321535
_publ_section_title
;
 Ruthenium(II) Ammine and Hydrazine Complexes with [N(Ph2PQ)2]- (Q = S,
 Se) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5255
_journal_page_last               5264
_journal_paper_doi               10.1021/ic000291c
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C66 H55 N2 P5 Ru Se4'
_chemical_formula_weight         1447.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.4580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4401(5)
_cell_length_b                   26.6189(13)
_cell_length_c                   25.1173(12)
_cell_measurement_temperature    293(2)
_cell_volume                     6904.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            39933
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    2.489
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.216
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.903
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         15388
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.903
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.085
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                10936
_reflns_number_total             15388
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000291c_1.cif
_cod_data_source_block           wy0037wm
_cod_database_code               4321535