Dicopper(II) and Dizinc(II) Complexes with Nonsymmetric Dinucleating Ligands Based on Indolo[3,2-c]quinolines: Synthesis, Structure, Cytotoxicity, and Intracellular Distribution
Michael F. Primik; Simone Göschl; Samuel M. Meier; Nadine Eberherr; Michael A. Jakupec; Éva A. Enyedy; Ghenadie Novitchi; Vladimir B. Arion; Inorganic Chemistry 52 (2013) 10137–10146; doi:10.1021/ic401573d

data_4335900
_publ_section_title
;
 Dicopper(II) and Dizinc(II) Complexes with Nonsymmetric Dinucleating
 Ligands Based on Indolo[3,2-c]quinolines: Synthesis, Structure,
 Cytotoxicity, and Intracellular Distribution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10137
_journal_page_last               10146
_journal_paper_doi               10.1021/ic401573d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C33 H31 Cu2 N5 O9, 3(C H4 O)'
_chemical_formula_sum            'C36 H43 Cu2 N5 O12'
_chemical_formula_weight         864.83
_chemical_name_systematic
; 
Di(\m-acetato-\k^2^O,O')-(2-((3-((2-(11H-indolo[3,2-c]quinolin-6-yl-\kN^5^)
hydrazono-\kN^13^)methyl)-5-methyl-2-oxidobenzyl-\kO^1^)
(2-methoxy-2-oxoethyl-\kO^5^)amino\kN^23^)
acetato-\kO^2^)dicopper(II) trimethanol solvate  
;
_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                71.745(2)
_cell_angle_beta                 76.682(3)
_cell_angle_gamma                81.086(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1929(5)
_cell_length_b                   11.3582(5)
_cell_length_c                   15.4454(7)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.56
_cell_volume                     1807.32(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  '\Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            31908
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_T_max  0.9754
_exptl_absorpt_correction_T_min  0.7882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_description       plate
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.439
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6334
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0418
_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^)+(0.0694P)^2^+2.7342P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1242
_reflns_number_gt                5319
_reflns_number_total             6334
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401573d_si_002_1.cif
_cod_data_source_block           MIPR246
_cod_database_code               4335900