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_7061701
_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         'C84 H100 N4 O6 Zn2, 2(C7 H8)'
_chemical_formula_sum            'C98 H116 N4 O6 Zn2'
_chemical_formula_weight         1576.68
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-20 deposited with the CCDC.	2022-08-04 downloaded from the CCDC.
;
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_cell_angle_gamma                91.101(16)
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_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
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_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type
'Bruker D8 VENTURE diffractometer with PHOTON 100 CMOS detector'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_refine_ls_extinction_method     none
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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^)+(0.0506P)^2^+28.7723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                20105
_reflns_number_total             31532
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7061701--7061702.cif.'
_cod_original_cell_volume        9016(6)
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_shelx_estimated_absorpt_t_max   0.917
_shelx_res_checksum              62826