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_4335901
_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 N5 O9 Zn2, 2(C H4 O)'
_chemical_formula_sum            'C35 H39 N5 O11 Zn2'
_chemical_formula_weight         836.45
_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^)dizinc(II) dimethanol 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                99.404(3)
_cell_angle_beta                 105.532(3)
_cell_angle_gamma                94.840(3)
_cell_formula_units_Z            2
_cell_length_a                   10.7024(5)
_cell_length_b                   11.6277(5)
_cell_length_c                   15.4646(8)
_cell_measurement_reflns_used    7869
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.88
_cell_measurement_theta_min      2.47
_cell_volume                     1812.59(15)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_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            18016
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    1.391
_exptl_absorpt_correction_T_max  0.8735
_exptl_absorpt_correction_T_min  0.8185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.097
_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     485
_refine_ls_number_reflns         6333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0485
_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^)+(0.0593P)^2^+6.9255P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1420
_reflns_number_gt                5205
_reflns_number_total             6333
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401573d_si_002_2.cif
_cod_data_source_block           mipr245
_cod_database_code               4335901