Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624007125

data_2312569
_publ_section_title
;
 Further evaluation of the shape of atomic Hirshfeld surfaces: M...H
 contacts and homoatomic bonds.
;
_journal_coeditor_code           DG3057
_journal_issue                   9
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624007125
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '[Mn (C4 H3 O4)2 (H2 O1)4]'
_chemical_formula_moiety         'C8 H14 Mn1 O12'
_chemical_formula_sum            'C8 H14 Mn O12'
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_chemical_name_systematic
;
Tetraaquabis(3-carboxypropionato)manganese(II)
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
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CrysAlis PRO (Rigaku OD, 2019)
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CrysAlis PRO (Rigaku OD, 2019)
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CrysAlis PRO (Rigaku OD, 2019)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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olex2.refine (Bourhis <i>et al.</i>,  2015)
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SHELXT2018 (Sheldrick, 2015)
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'Rigaku Xcalibur Gemini ultra diffractometer with an Atlas detector'
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(CrysAlis PRO; Rigaku OD, 2019)
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'w=1/[\s^2^(Fo^2^)+(0.0112P)^2^+0.0202P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>=2u(I)
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_cod_data_source_block           MMn
_cod_original_formula_sum        'C8 H14 Mn1 O12'
_cod_database_code               2312569
_cod_database_fobs_code 2312569