Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay
Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja; New J. Chem. 41 (2017) 2425–; doi:10.1039/C6NJ03827A

data_7056007
_publ_section_title
;
 Copper(ii) complexes with benzhydrazone-related ligands: synthesis,
 structural studies and cytotoxicity assay
;
_journal_issue                   6
_journal_name_full               'New J. Chem.'
_journal_page_first              2425
_journal_paper_doi               10.1039/C6NJ03827A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C19 H14 Cu N3 O2, C H4 O'
_chemical_formula_sum            'C20 H18 Cu N3 O3'
_chemical_formula_weight         411.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-05 deposited with the CCDC.
2017-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_b                   7.9499(2)
_cell_length_c                   20.1358(5)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.0930
_cell_measurement_theta_min      4.4390
_cell_volume                     1796.95(8)
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'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.37.35'
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'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.37.35'
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'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.37.35'
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0272
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_diffrn_reflns_limit_k_min       -10
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35.
Empirical absorption correction using 
spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark green'
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_exptl_crystal_size_max          0.24
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_refine_diff_density_min         -0.569
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_refine_ls_number_reflns         4750
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0378
_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^)+(0.0514P)^2^+1.1931P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0985
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4312
_reflns_number_total             4750
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1bpy_2MeOH
_cod_depositor_comments
'Adding full bibliography for 7056006--7056012.cif.'
_cod_database_code               7056007
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              23441