Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate at 90K and 170K
Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.; Acta Crystallographica Section B 58 (2002) 627–631; doi:10.1107/S0108768102004858

data_2103332
_publ_section_title
;
 Asymmetric hydrogen bonds in centrosymmetric environment. II. Neutron
 study of very short hydrogen bonds in potassium hydrogen
 dichloromaleate at 90K and 170K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               631
_journal_paper_doi               10.1107/S0108768102004858
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'K2 Cl4 O8 C8 H2'
_chemical_formula_sum            'C8 H2 Cl4 K2 O8'
_chemical_formula_weight         446.1
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_type_scat_source           Sears(1992)
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_cell_length_b                   7.840(4)
_cell_length_c                   8.839(4)
_cell_measurement_temperature    170
_cell_volume                     344.6(3)
_computing_cell_refinement
'STOE 4-circle X-ray Diffractometer Control Program'
_computing_data_collection       'Aracor Diffractometer Control Program'
_computing_data_reduction        'ARACOR-DATRED vers. 950320'
_computing_structure_refinement  'UPALS Lundgren (1982)'
_diffrn_measurement_device       'Huber-Aracor 400 mm diameter four-circle'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.087
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_exptl_absorpt_correction_T_min  0.7004
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'gaussian (Coppens, Leiserowitz & Rabinovich, 1965)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.150
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'plate with 6 faces'
_exptl_crystal_size_max          4.2
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_exptl_crystal_size_min          1.0
_refine_diff_density_max         0.04
_refine_diff_density_min         -0.04
_refine_ls_extinction_coef       6580.1
_refine_ls_extinction_method
'Lorentzian type I isotropic (Becker & Coppens, 1974, 1975)'
_refine_ls_goodness_of_fit_ref   1.0116
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1236
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.05
_refine_ls_structure_factor_coef Fsqd
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_reflns_threshold_expression     F~o~^2^>3\s(F~o~^2^)
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