A copper based pillared-bilayer metal organic framework: its synthesis, sorption properties and catalytic performance.
Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Konar, Sanjit; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7191–7199; doi:10.1039/c4dt00228h

data_7029772
_publ_section_title
;
 A copper based pillared-bilayer metal organic framework: its synthesis,
 sorption properties and catalytic performance.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7191
_journal_page_last               7199
_journal_paper_doi               10.1039/c4dt00228h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C18 H14 Cu N2 O4 S, 2(H2O)'
_chemical_formula_sum            'C18 H18 Cu N2 O6 S'
_chemical_formula_weight         453.956
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_length_c                   10.8431(3)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.39
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_cell_volume                     1115.84(6)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            blue
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+2.8944P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2273
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_reflns_number_gt                3450
_reflns_number_total             5772
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00228h2.cif
_cod_data_source_block           Compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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/7029772.cif.
;
_cod_database_code               7029772