Cu(I) complexes as new antiproliferative agents against sensitive and doxorubicin resistant colorectal cancer cells: synthesis, characterization, and mechanisms of action.
Sequeira, Diogo; Baptista, Pedro V.; Valente, Ruben; Piedade, M Fátima M; Garcia, M. Helena; Morais, Tânia S; Fernandes, Alexandra R.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 1845–1865; doi:10.1039/d0dt03566a

data_7706421
_publ_section_title
;
 Cu(I) complexes as new antiproliferative agents against sensitive and
 doxorubicin resistant colorectal cancer cells: synthesis,
 characterization, and mechanisms of action.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1845
_journal_page_last               1865
_journal_paper_doi               10.1039/d0dt03566a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C57 H46 B Cl2 Cu F4 N4 P2'
_chemical_formula_weight         1070.17
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-10-14 deposited with the CCDC.	2020-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                84.236(2)
_cell_angle_beta                 81.1860(10)
_cell_angle_gamma                78.631(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8537(5)
_cell_length_b                   13.6470(5)
_cell_length_c                   15.3142(5)
_cell_measurement_reflns_used    9869
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.70
_cell_volume                     2595.67(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Mercury
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_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  0.0381
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43804
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.165
_diffrn_reflns_theta_min         2.606
_exptl_absorpt_coefficient_mu    0.642
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7014
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.500
_refine_diff_density_max         0.977
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         11468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0816P)^2^+3.8306P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1502
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10290
_reflns_number_total             11468
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03566a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7706420--7706421.cif.'
_cod_database_code               7706421
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.699
_shelx_estimated_absorpt_t_max   0.740
_shelx_res_checksum              14366