Carbonate and oxalate dianions as prolific hydrogen-bond acceptors in supramolecular assembly
Lam, Chi-Keung; Mak, Thomas C. W.; Chemical Communications (Cambridge, United Kingdom)  (2003) 2660–2661; doi:10.1039/b306649e

data_7104864
_publ_section_title
;
 Carbonate and oxalate dianions as prolific hydrogen-bond acceptors in
 supramolecular assembly
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   21
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              2660
_journal_page_last               2661
_journal_paper_doi               10.1039/b306649e
_journal_year                    2003
_chemical_formula_sum            'C30 H72 N10 O4 S4'
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_chemical_name_systematic
; 
 bis(tetra-n-propylammonium) oxalate-thiourea (1/4)
;
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_cell_length_a                   11.8476(7)
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_cell_length_c                   16.3965(10)
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_computing_cell_refinement       'SAINT-PLUS, Ver. 5.0, Bruker AXS, 1997.'
_computing_data_collection       'SMART for Windows NT, Bruker AXS, 1997.'
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_computing_molecular_graphics    'XP-Interactive Molecular Graphics, Ver. 5.1'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  Bruker_SMART_CCD_1K_area_detector
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
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_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.1020P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            b306649e.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104864