p-Sulfonatocalix[4]arene−Pyrrolidinium Complexation in Building Multicomponent Layered Arrays
Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.; Crystal Growth & Design 10 (2010) 1312–; doi:10.1021/cg901354x

data_4502552
_publ_section_title
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 p-Sulfonatocalix[4]arene&#x2212;Pyrrolidinium Complexation in Building
 Multicomponent Layered Arrays
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_journal_issue                   3
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              1312
_journal_paper_doi               10.1021/cg901354x
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety
'2(C28 H20 O16 S4), 4(C25 H22 O P), H18 Gd O9, C9 H20 N, 17(H2 O)'
_chemical_formula_sum            'C165 H200 Gd N O62 P4 S8'
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_chemical_name_systematic
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 ? 
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
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_computing_molecular_graphics    'X-Seed 2.0 (Barbour, 2001)'
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_diffrn_ambient_temperature      100(2)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May  6 2009,17:20:42)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.233
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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^)+(0.1200P)^2^+30.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_original_cell_volume        5020.1(4)
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