A highly selective and sensitive Zn(ii) complex-based chemosensor for sequential recognition of Cu(ii) and cyanide.
Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7298–7303; doi:10.1039/c3dt53647e

data_7029865
_publ_section_title
;
 A highly selective and sensitive Zn(ii) complex-based chemosensor for
 sequential recognition of Cu(ii) and cyanide.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7298
_journal_page_last               7303
_journal_paper_doi               10.1039/c3dt53647e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C24 H18 Cl Cu N3 O2'
_chemical_formula_weight         479.40
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.821(3)
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_cell_length_c                   25.757(6)
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_cell_measurement_temperature    296(2)
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_cell_volume                     4052.2(15)
_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.572
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_refine_ls_number_reflns         4655
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0391P)^2^+1.9551P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
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_reflns_number_gt                3647
_reflns_number_total             4655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53647e2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-12899/cifs/7029865.cif.
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7029865