From solid state to <i>in vitro</i> anticancer activity of copper(II) compounds with electronically-modulated NNO Schiff base ligands.
Rigamonti, Luca; Reginato, Francesco; Ferrari, Erika; Pigani, Laura; Gigli, Lara; Demitri, Nicola; Kopel, Pavel; Tesarova, Barbora; Heger, Zbynek; Dalton transactions (Cambridge, England : 2003) 49 (2020) 14626–14639; doi:10.1039/d0dt03038d

data_7705672
_publ_section_title
;
 From solid state to <i>in vitro</i> anticancer activity of copper(II)
 compounds with electronically-modulated NNO Schiff base ligands.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14626
_journal_page_last               14639
_journal_paper_doi               10.1039/d0dt03038d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C18 H21 Cu N2 O5.5'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-11-18 deposited with the CCDC.	2020-10-12 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.226
_cell_measurement_theta_min      1.253
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_computing_data_collection       'Elettra XRD1 Data Collection SW'
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_computing_molecular_graphics    'Ortep3 for Windows - Coot'
_computing_publication_material  'enCIFer - publCIF'
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_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type
'Huber 4-circles Kappa Goniometer, Pilatus 2M detector'
_diffrn_measurement_method       'Rotating crystal'
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_diffrn_reflns_av_unetI/netI     0.0175
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_diffrn_source                   'Elettra Synchrotron - XRD1 BL'
_exptl_absorpt_coefficient_mu    1.196
_exptl_absorpt_correction_type   none
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_refine_ls_R_factor_all          0.0296
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0415P)^2^+3.7555P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0779
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4655
_reflns_number_total             5058
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03038d2.cif
_cod_data_source_block           B1
_cod_depositor_comments
'Adding full bibliography for 7705671--7705674.cif.'
_cod_original_cell_volume        3445.4(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C18 H21 Cu N2 O5.50'
_cod_database_code               7705672
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_shelx_estimated_absorpt_t_max   0.976
_shelx_res_checksum              82103