The crucial role of water in shaping low-barrier hydrogen bonds.
Ruggiero, Michael T.; Korter, Timothy M.; Physical chemistry chemical physics : PCCP 18 (2016) 5521–5528; doi:10.1039/c5cp07760e

data_7224087
_publ_section_title
;
 The crucial role of water in shaping low-barrier hydrogen bonds.
;
_journal_issue                   7
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              5521
_journal_page_last               5528
_journal_paper_doi               10.1039/c5cp07760e
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         Zn(H2O)4(C4O4H3)2
_chemical_formula_sum            'C8 H14 O12 Zn'
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_chemical_name_common            'zinc maleate tetrahydrate'
_chemical_name_systematic        'Tetra-aqua-bis(hydrogen maleato)-zinc(ii)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-06-25 deposited with the CCDC.
2016-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                108.304(2)
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            34723
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: Water'
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_refine_ls_matrix_type           full
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+0.0490P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3997
_reflns_number_total             4197
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7224087--7224091.cif.'
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