Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers
Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.; CrystEngComm 12 (2010) 573–; doi:10.1039/b913826a

data_7211729
_publ_section_title
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 Calixarene C8-imidazolium interplay as a design strategy for penetrating
 organic bi-layers
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              573
_journal_paper_doi               10.1039/b913826a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety
'C28 H19 O16 S4, C25 H22 O P, C12 H23 N2, Gd H18 O9, 6(H2 O)'
_chemical_formula_sum            'C65 H94 Gd N2 O32 P S4'
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
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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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_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur-S, Sapphire CCD'
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_meas      ?
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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^)+(0.1500P)^2^+2.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1970
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_cod_data_source_file            b913826a.txt
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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        3732.08(9)
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