Chiral versus racemic building blocks in supramolecular chemistry: malate salts of organic diamines
Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher; Acta Crystallographica, Section B 58 (2002) 530–544; doi:10.1107/S0108768102000642

data_2103132
_publ_section_title
;
Chiral versus racemic building blocks in supramolecular
chemistry: malate salts of organic diamines
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              530
_journal_page_last               544
_journal_paper_doi               10.1107/S0108768102000642
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C6 H14 N2, 2(C4 H5 O5)'
_chemical_formula_sum            'C14 H24 N2 O10'
_chemical_formula_weight         380.35
_chemical_name_systematic
;
1,4-Diazabicyclo[2.2.2]octane--racemic malic acid (1/2)
;
_space_group_IT_number           14
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_cell_angle_beta                 95.1780(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
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_cell_measurement_temperature    150(2)
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_cell_volume                     3324.61(14)
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'SHELXL-97 (Sheldrick, 1997b) and PRPKAPPA (Ferguson, 1999)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  Kappa-CCD
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
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_diffrn_standards_decay_%        0
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0827P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 
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_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2103132