Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex
Mondal, Antu; Das, Chandrima; Corbella, Montse; Bauzá, Antonio; Frontera, Antonio; Saha, Moumita; Mondal, Sanchaita; Das Saha, Krishna; Chattopadhyay, Shyamal Kumar; New Journal of Chemistry 44 (2020) 7319–7328; doi:10.1039/C9NJ05712A

data_7059483
_publ_section_title
;
 Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine
 Schiff base: DNA binding, anticancer activity and histidine sensing
 ability of the complex
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7319
_journal_page_last               7328
_journal_paper_doi               10.1039/C9NJ05712A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C16 H18 Cl2 Cu2 N8 O10'
_chemical_formula_weight         680.38
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-09-25 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                109.692(9)
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_cell_volume                     1147.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      295(2)
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_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
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_T_max  1.095
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_colour            GREEN
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_exptl_crystal_description       SQUARE
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_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
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_refine_diff_density_min         -1.094
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0783P)^2^+3.9511P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1527
_refine_ls_wR_factor_ref         0.1650
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3974
_reflns_number_total             4499
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05712a2.cif
_cod_data_source_block           AMCu13_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059483.cif.

 Adding full bibliography for 7059483.cif.
;
_cod_database_code               7059483
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              62364