Octahedral ruthenium complexes selectively stabilize G-quadruplexes.
He, Lei; Chen, Xiang; Meng, Zhenyu; Wang, Jintao; Tian, Keyin; Li, Tianhu; Shao, Fangwei; Chemical communications (Cambridge, England) 52 (2016) 8095–8098; doi:10.1039/c6cc03117j

data_7124647
_publ_section_title
;
 Octahedral ruthenium complexes selectively stabilize G-quadruplexes.
;
_journal_issue                   52
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8095
_journal_page_last               8098
_journal_paper_doi               10.1039/c6cc03117j
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C36 H45 F12 N7 O4 P2 Ru'
_chemical_formula_weight         1030.80
_chemical_name_systematic        Ru(bpa)(NH3)2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_update_record
;
2016-04-14 deposited with the CCDC.
2016-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                74.801(2)
_cell_angle_beta                 76.758(2)
_cell_angle_gamma                87.087(2)
_cell_formula_units_Z            1
_cell_length_a                   8.4109(4)
_cell_length_b                   11.4169(6)
_cell_length_c                   11.7250(6)
_cell_measurement_reflns_used    6698
_cell_measurement_temperature    103.(2)
_cell_measurement_theta_max      27.0479
_cell_measurement_theta_min      2.4878
_cell_volume                     1057.59(9)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2014)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2014)'
_computing_publication_material  'APEX2 (Bruker AXS Inc., 2014)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      103.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33088
_diffrn_reflns_theta_full        29.56
_diffrn_reflns_theta_max         29.56
_diffrn_reflns_theta_min         2.75
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.608
_refine_diff_density_min         -1.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5904
_refine_ls_number_restraints     456
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0221P)^2^+0.7307P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                4950
_reflns_number_total             5904
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc03117j2.cif
_cod_data_source_block           I
_cod_database_code               7124647
_shelx_res_checksum              11968