Ternary Dinuclear Copper(II) Complexes of a Hydroxybenzamide Ligand with Diimine Coligands: the 5,6-dmp Ligand Enhances DNA Binding and Cleavage and Induces Apoptosis
Sethu Ramakrishnan; Dhanasekaran Shakthipriya; Eringathodi Suresh; Vaiyapuri Subbarayan Periasamy; Mohammad Abdulkader Akbarsha; Mallayan Palaniandavar; Inorganic Chemistry 50 (2011) 6458–6471; doi:10.1021/ic1024185

data_4325577
_publ_section_title
;
 Ternary Dinuclear Copper(II) Complexes of a Hydroxybenzamide Ligand with
 Diimine Coligands: the 5,6-dmp Ligand Enhances DNA Binding and Cleavage
 and Induces Apoptosis
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6458
_journal_page_last               6471
_journal_paper_doi               10.1021/ic1024185
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C40 H44 Cl2 Cu2 N8 O12, 2(Cl O4)'
_chemical_formula_sum            'C20 H21 Cl2 Cu N4 O10'
_chemical_formula_weight         611.85
_chemical_name_systematic        'bi-nuclear complex'
_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                109.261(2)
_cell_angle_beta                 106.116(2)
_cell_angle_gamma                94.474(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6719(12)
_cell_length_b                   11.4218(14)
_cell_length_c                   11.9689(15)
_cell_measurement_reflns_used    4131
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.9
_cell_volume                     1178.0(3)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'BRUKER SMART APEX CCD DIFFRACTOMETER'
_diffrn_measurement_method       'OMEGA-PHI SCAN'
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0925
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8522
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  0.9643
_exptl_absorpt_correction_T_min  0.7838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.531
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4131
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0656
_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^)+(0.0365P)^2^+2.0697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                3259
_reflns_number_total             4131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1024185_si_002.cif
_cod_data_source_block           ramki
_cod_database_code               4325577