Synthesis and characterization of a double helical dinuclear Zn–salen complex and its application in the detection of nitroaromatics
Malik, Payal; Jain, Isha; New Journal of Chemistry 46 (2022) 15296–15300; doi:10.1039/D2NJ02269A

data_7061702
_publ_section_title
;
 Synthesis and characterization of a double helical dinuclear Zn--salen
 complex and its application in the detection of nitroaromatics
;
_journal_issue                   32
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15296
_journal_page_last               15300
_journal_paper_doi               10.1039/D2NJ02269A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C42 H52 N2 O3'
_chemical_formula_sum            'C42 H52 N2 O3'
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_space_group_crystal_system      monoclinic
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-29 deposited with the CCDC.	2022-08-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
'Bruker D8 VENTURE diffractometer with PHOTON II detector'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0944
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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^)+(0.0685P)^2^+2.0269P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5220
_reflns_number_total             7391
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj02269a2.cif
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_cod_depositor_comments
'Adding full bibliography for 7061701--7061702.cif.'
_cod_original_cell_volume        3752.2(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7061702
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.983
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              21992