Bi-nuclear Ru(ii) complexes of bis-chalcone and bis-flavonol: synthesis, characterization, photo cleavage of DNA and Topoisomerase I inhibition
Gaur, Ruchi; Mishra, Lallan; RSC Advances 3 (2013) 12210–; doi:10.1039/c3ra41451e

data_7235278
_publ_section_title
;
 Bi-nuclear Ru(ii) complexes of bis-chalcone and bis-flavonol: synthesis,
 characterization, photo cleavage of DNA and Topoisomerase I inhibition
;
_journal_issue                   30
_journal_name_full               'RSC Advances'
_journal_page_first              12210
_journal_paper_doi               10.1039/c3ra41451e
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C24 H18 O4'
_chemical_formula_weight         370.38
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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                 117.55(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.967(5)
_cell_length_b                   27.181(14)
_cell_length_c                   7.764(7)
_cell_measurement_temperature    293(2)
_cell_volume                     929.3(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.1018
_diffrn_reflns_av_sigmaI/netI    0.2291
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3448
_diffrn_reflns_theta_full        29.49
_diffrn_reflns_theta_max         29.49
_diffrn_reflns_theta_min         4.69
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             388
_exptl_crystal_size_max          .31
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .29
_refine_diff_density_max         0.091
_refine_diff_density_min         -0.094
_refine_diff_density_rms         0.024
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.735
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.735
_refine_ls_R_factor_all          0.2075
_refine_ls_R_factor_gt           0.0532
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                1750
_reflns_number_total             2580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra41451e.cif
_cod_data_source_block           rbchan
_cod_original_cell_volume        929.3(13)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7235278