Novel latonduine derived proligands and their copper(ii) complexes show cytotoxicity in the nanomolar range in human colon adenocarcinoma cells and in vitro cancer selectivity.
Bacher, Felix; Wittmann, Christopher; Nové, Márta; Spengler, Gabriella; Marć, Małgorzata A; Enyedy, Eva A.; Darvasiová, Denisa; Rapta, Peter; Reiner, Thomas; Arion, Vladimir B.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10464–10478; doi:10.1039/c9dt01238a

data_7701508
_publ_section_title
;
 Novel latonduine derived proligands and their copper(ii) complexes show
 cytotoxicity in the nanomolar range in human colon adenocarcinoma cells
 and in vitro cancer selectivity.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10464
_journal_page_last               10478
_journal_paper_doi               10.1039/c9dt01238a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C23 H19 Cl2 Cu N5, 1.2(C3 H7 N O), 0.25(H2 O)'
_chemical_formula_sum            'C26.6 H27.9 Cl2 Cu N6.2 O1.45'
_chemical_formula_weight         592.09
_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_creation_method           SHELXL-2014
_audit_update_record
;
2019-03-14 deposited with the CCDC.	2019-05-10 downloaded from the CCDC.
;
_cell_angle_alpha                98.235(4)
_cell_angle_beta                 92.013(5)
_cell_angle_gamma                93.367(4)
_cell_formula_units_Z            4
_cell_length_a                   9.7602(13)
_cell_length_b                   13.4027(15)
_cell_length_c                   20.685(2)
_cell_measurement_reflns_used    1840
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.43
_cell_measurement_theta_min      2.52
_cell_volume                     2670.7(5)
_computing_cell_refinement       'Bruker SAINT v8.38A'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT v8.38A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1223
_diffrn_reflns_av_unetI/netI     0.2673
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            31392
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.177
_diffrn_reflns_theta_min         2.092
_exptl_absorpt_coefficient_mu    1.053
_exptl_absorpt_correction_T_max  0.9205
_exptl_absorpt_correction_T_min  0.4864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       block
_exptl_crystal_F_000             1222
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         15645
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.2119
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0421P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1719
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6402
_reflns_number_total             15645
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01238a2.cif
_cod_data_source_block           feba5L7
_cod_original_formula_sum        'C26.60 H27.90 Cl2 Cu N6.20 O1.45'
_cod_database_code               7701508
_shelx_estimated_absorpt_t_min   0.486
_shelx_estimated_absorpt_t_max   0.921
_shelxl_version_number           2014-3
_shelx_res_checksum              94649