Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations
Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.; CrystEngComm 15 (2013) 2888–; doi:10.1039/c3ce26991d

data_7209688
_publ_section_title
;
 Micelle to extended multi-component bilayer systems involving decyl and
 dodecyl imidazolium and pyridinium cations
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2888
_journal_paper_doi               10.1039/c3ce26991d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety
'C28 H19 O16 S4, C24 H20 P, C14 H27 N2, O8 H12 Y, 12(H2 O)'
_chemical_formula_sum            'C66 H106 N2 O36 P S4 Y'
_chemical_formula_weight         1751.65
_chemical_name_systematic
;
?
;
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_cell_angle_alpha                106.575(3)
_cell_angle_beta                 95.223(3)
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_cell_length_c                   21.0378(7)
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_cell_measurement_temperature    100(2)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
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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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'Oxford Diffraction Xcalibur-S, Sapphire3 CCD'
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_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63766
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_exptl_absorpt_coefficient_mu    0.955
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_exptl_absorpt_correction_T_min  0.95024
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1844
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.11
_refine_diff_density_max         5.553
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.009
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_refine_ls_R_factor_gt           0.1557
_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^)+(0.1000P)^2^+45.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3324
_refine_ls_wR_factor_ref         0.3666
_reflns_number_gt                20059
_reflns_number_total             31038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce26991d.txt
_cod_data_source_block           cmpnd01
_cod_original_cell_volume        3950.8(2)
_cod_database_code               7209688