Synthesis, X-ray diffraction structure, spectroscopic properties and antiproliferative activity of a novel ruthenium complex with constitutional similarity to cisplatin
Grguric-Sipka, Sanja; Stepanenko, Iryna N.; Lazic, Jelena M.; Bartel, Caroline; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.; Dalton Transactions  (2009) 3334–3339; doi:10.1039/b822725j

data_7001118
_publ_section_title
;
 Synthesis, X-ray diffraction structure, spectroscopic properties and
 antiproliferative activity of a novel ruthenium complex with
 constitutional similarity to cisplatin
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3334
_journal_page_last               3339
_journal_paper_doi               10.1039/b822725j
_journal_year                    2009
_chemical_formula_moiety         'C23 H37 O3 Os2, F6 P'
_chemical_formula_sum            'C23 H37 F6 O3 Os2 P'
_chemical_formula_weight         886.90
_chemical_name_common
;Tris(mu!2$-methoxido)-bis(hapto$6!-p-cymene)-di-osmium(ii)
hexafluorophosphate
;
_chemical_name_systematic
;
Tris(mu~2~-methoxido)-bis(hapto^6^-p-cymene)-
di-osmium(II) hexafluorophosphate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.2483(3)
_cell_length_b                   13.6694(4)
_cell_length_c                   34.2630(9)
_cell_measurement_reflns_used    4820
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.05
_cell_measurement_theta_min      2.32
_cell_volume                     5268.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'w scan'
_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  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            140298
_diffrn_reflns_theta_full        30.12
_diffrn_reflns_theta_max         30.12
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    9.765
_exptl_absorpt_correction_T_max  0.2225
_exptl_absorpt_correction_T_min  0.1188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.854
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.139
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         15486
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+4.3440P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0483
_refine_ls_wR_factor_ref         0.0489
_reflns_number_gt                14769
_reflns_number_total             15486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822725j.txt
_cod_data_source_block           IRST435
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               7001118