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_2103126
_publ_section_title
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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 H16 N2, 2(C4 H5 O5)'
_chemical_formula_sum            'C14 H26 N2 O10'
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_chemical_name_systematic
;
N,N'-Dimethylpiperazine--(S)-malic acid (1/2)
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
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_cell_angle_gamma                87.435(3)
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
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'SHELXL-97 (Sheldrick, 1997b) and PRPKAPPA (Ferguson, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  Kappa-CCD
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
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_exptl_absorpt_coefficient_mu    0.122
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0602P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     >2\s(I)
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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      P1
_cod_database_code               2103126