Promoting the Formation and Stabilization of G-Quadruplex by Dinuclear RuII Complex Ru2(obip)L4
Shuo Shi; Jie Liu; Tianming Yao; Xiaoting Geng; Lingfeng Jiang; Qingyuan Yang; Lin Cheng; Liangnian Ji; Inorganic Chemistry 47 (2008) 2910–2912; doi:10.1021/ic7021209

data_4304577
_publ_section_title
;
Promoting the Formation and Stabilization of G-Quadruplex by Dinuclear
RuII Complex Ru2(obip)L4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2910
_journal_page_last               2912
_journal_paper_doi               10.1021/ic7021209
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C59 H45 F24 N13.5 O P4 Ru2'
_chemical_formula_weight         1741.10
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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
_cell_angle_alpha                80.433(6)
_cell_angle_beta                 88.173(7)
_cell_angle_gamma                69.784(6)
_cell_formula_units_Z            2
_cell_length_a                   13.232(5)
_cell_length_b                   16.521(6)
_cell_length_c                   16.640(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3365(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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0538
_diffrn_reflns_av_sigmaI/netI    0.1055
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26565
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.663
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1731
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.181
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_matrix_type           full
_refine_ls_number_parameters     970
_refine_ls_number_reflns         13099
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1440
_refine_ls_R_factor_gt           0.0691
_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^)+(0.1201P)^2^+1.2019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1780
_refine_ls_wR_factor_ref         0.2268
_reflns_number_gt                6845
_reflns_number_total             13099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7021209-file003.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C59 H45 F24 N13.50 O P4 Ru2'
_cod_database_code               4304577