Synthesis, single-crystal and solution structure analysis and in vitro cytotoxic activity of two novel complexes of ruthenium(II) with in situ formed flavanone-based ligands.
Ochocki, Justyn; Kasprzak, Maria; Chęcińska, Lilianna; Erxleben, Andrea; Zyner, Elżbieta; Szmigiero, Leszek; Garza-Ortiz, Ariadna; Reedijk, Jan; Dalton transactions (Cambridge, England : 2003) 39 (2010) 9711–9718; doi:10.1039/c0dt00535e

data_7026619
_publ_section_title
;
 Synthesis, single-crystal and solution structure analysis and in vitro
 cytotoxic activity of two novel complexes of ruthenium(II) with in situ
 formed flavanone-based ligands.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9711
_journal_page_last               9718
_journal_paper_doi               10.1039/c0dt00535e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C34 H34 Cl2 N2 O8 Ru'
_chemical_formula_weight         770.60
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 93.55(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.482(4)
_cell_length_b                   9.126(2)
_cell_length_c                   18.052(4)
_cell_measurement_reflns_used    3042
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      4.61
_cell_volume                     3696.6(13)
_computing_cell_refinement       Denzo,Scalepack,Otwinowski,Minor,1997
_computing_data_collection       'Nonis KappaCCD'
_computing_data_reduction        Denzo,Scalepack,Otwinowski,Minor,1997
_computing_structure_refinement  SHELXL-97(Sheldrick,1997)
_computing_structure_solution    SHELXS-97(Sheldrick,1990)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_sigmaI/netI    0.1260
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            3042
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         4.61
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  0.9408
_exptl_absorpt_correction_T_min  0.8864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Denzo,Scalepack,Otwinowski,Minor,1997
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.840
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.840
_refine_ls_R_factor_all          0.1367
_refine_ls_R_factor_gt           0.0520
_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^)+(0.0600P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1296
_reflns_number_gt                1354
_reflns_number_total             3042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00535e.txt
_cod_data_source_block           Ru_ethoxy
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7026619