Platinum squares with high selectivity and affinity for human telomeric G-quadruplexes
Xiao-Hui Zheng; Huo-Yan Chen; Ming-Liang Tong; Liang-Nian Ji; Zong-Wan Mao; Chem.Commun. 48 (2012) 7607–; doi:10.1039/c2cc32942e

data_7108053
_publ_section_title
;
 Platinum squares with high selectivity and affinity for human telomeric
 G-quadruplexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              7607
_journal_paper_doi               10.1039/c2cc32942e
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C40 H66 N24 O29 Pt4'
_chemical_formula_weight         2127.53
_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                97.317(1)
_cell_angle_beta                 91.554(1)
_cell_angle_gamma                106.389(1)
_cell_formula_units_Z            2
_cell_length_a                   14.3774(8)
_cell_length_b                   14.5747(8)
_cell_length_c                   16.3334(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3249.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0712
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27300
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    8.685
_exptl_absorpt_correction_T_max  0.7567
_exptl_absorpt_correction_T_min  0.4430
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    2.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2036
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.328
_refine_diff_density_min         -1.648
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         13760
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.1254
_refine_ls_R_factor_gt           0.0707
_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^)+(0.1289P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2044
_refine_ls_wR_factor_ref         0.2465
_reflns_number_gt                7317
_reflns_number_total             13760
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc32942e.txt
_cod_data_source_block           ptm
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7108053