Aggregation tendency and reactivity toward AgX of cationic half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.
Zuccaccia, Daniele; Bellachioma, Gianfranco; Cardaci, Giuseppe; Zuccaccia, Cristiano; Macchioni, Alceo; Dalton transactions (Cambridge, England : 2003)  (2006) 1963–1971; doi:10.1039/b514269e

data_7006808
_publ_section_title
;
 Aggregation tendency and reactivity toward AgX of cationic
 half-sandwich ruthenium(II) complexes bearing neutral N,O-ligands.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1963
_journal_page_last               1971
_journal_paper_doi               10.1039/b514269e
_journal_year                    2006
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C22 H23 Cl N O Ru, C24 H20 B'
_chemical_formula_sum            'C46 H43 B Cl N O Ru'
_chemical_formula_weight         773.14
_chemical_name_common            (Ru(h6-cymene)(2-benzoylpyridine)Cl)BPh4
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 93.523(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.498(2)
_cell_length_b                   9.869(2)
_cell_length_c                   30.431(2)
_cell_measurement_temperature    295(2)
_cell_volume                     3746.4(10)
_computing_cell_refinement       'CRYSALIS (CCD 171) software'
_computing_data_collection       'XCALIBUR (Kuma4CCD) diffractometer'
_computing_data_reduction        'CRYSALIS (CCD 171) software'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Sir97 (Giacovazzo)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.933
_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  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0714
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            32151
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.49
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.527
_exptl_absorpt_correction_T_max  0.9201
_exptl_absorpt_correction_T_min  0.8834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   r.h.blessing,actacryst.(1995),a51,33-38
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0414P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                4910
_reflns_number_total             7234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514269e.txt
_cod_data_source_block           1BPh4
_cod_original_cell_volume        3746.5(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7006808