Arene Ruthenium(II) Complexes as Low-Toxicity Inhibitor against the Proliferation, Migration, and Invasion of MDA-MB-231 Cells through Binding and Stabilizing c-myc G-Quadruplex DNA
Wu, Qiong; Zheng, Kangdi; Liao, Siyan; Ding, Yang; Li, Yangqiu; Mei, Wenjie; Organometallics 35 (2016) 317–326; doi:10.1021/acs.organomet.5b00820

data_4086404
_publ_section_title
;
 Arene Ruthenium(II) Complexes as Low-Toxicity Inhibitor against the
 Proliferation, Migration, and Invasion of MDA-MB-231 Cells through
 Binding and Stabilizing c-myc G-Quadruplex DNA
;
_journal_name_full               Organometallics
_journal_page_first              317
_journal_page_last               326
_journal_paper_doi               10.1021/acs.organomet.5b00820
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C25 H23 Br Cl2 N4 O3 Ru'
_chemical_formula_weight         679.35
_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                 90.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.491(9)
_cell_length_b                   17.479(4)
_cell_length_c                   7.6315(15)
_cell_measurement_temperature    293(2)
_cell_volume                     5668(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_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  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0200
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9598
_diffrn_reflns_theta_full        24.19
_diffrn_reflns_theta_max         24.19
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.184
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       0.00054(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4322
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0473
_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^)+(0.1325P)^2^+15.1242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1769
_reflns_number_gt                3998
_reflns_number_total             4322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00820_si_003.cif
_cod_data_source_block           1
_cod_depositor_comments
;Separating journal page numbers, which were accidentally combined
 together.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4086404