Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties
Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham; CrystEngComm 21 (2019) 251–; doi:10.1039/C8CE01348A

data_7231914
_publ_section_title
;
 Design, synthesis and characterization of copper-based coordination
 compounds with bidentate (N,N and N,O) ligands: reversible uptake of
 iodine, dye adsorption and assessment of their antibacterial properties
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              251
_journal_paper_doi               10.1039/C8CE01348A
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C24 H36 Br4 Cu4 N8 O4'
_chemical_formula_sum            'C24 H36 Br4 Cu4 N8 O4'
_chemical_formula_weight         1074.41
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_update_record
;
2018-03-20 deposited with the CCDC.
2018-11-06 downloaded from the CCDC.
;
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_cell_measurement_temperature    100(1)
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_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.199
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.18
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+3.9634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2367
_reflns_number_total             2851
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7231912--7231914.cif.'
_cod_database_code               7231914
_shelxl_version_number           2013-4
_shelx_res_checksum              62967