Ruthenium(ii) arene complexes containing benzhydrazone ligands: synthesis, structure and antiproliferative activity
Subarkhan, Mohamed Kasim Mohamed; Ramesh, Rengan; Inorganic Chemistry Frontiers 3 (2016) 1245–; doi:10.1039/C6QI00197A

data_4349501
_publ_section_title
;
 Ruthenium(ii) arene complexes containing benzhydrazone ligands:
 synthesis, structure and antiproliferative activity
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1245
_journal_paper_doi               10.1039/C6QI00197A
_journal_volume                  3
_journal_year                    2016
_chemical_formula_sum            'C32 H28 Cl2 N2 O Ru'
_chemical_formula_weight         628.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2016-08-03 deposited with the CCDC.
2016-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                69.55(3)
_cell_angle_beta                 71.55(3)
_cell_angle_gamma                73.82(3)
_cell_formula_units_Z            2
_cell_length_a                   9.951(2)
_cell_length_b                   11.437(2)
_cell_length_c                   13.867(3)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.89
_cell_measurement_theta_min      2.39
_cell_volume                     1377.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21062
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_refine_diff_density_max         1.701
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         4829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0578P)^2^+1.1080P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.1035
_reflns_number_gt                4435
_reflns_number_total             4829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6qi00197a2.cif
_cod_data_source_block           yl160303
_cod_original_cell_volume        1377.4(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4349501