Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study
Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; New Journal of Chemistry 42 (2018) 12134–; doi:10.1039/C8NJ02194E

data_7057506
_publ_section_title
;
 Bipolar behaviour of salt-bridges: a combined theoretical and
 crystallographic study
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12134
_journal_paper_doi               10.1039/C8NJ02194E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C10 H14 N2 O4'
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_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'P 2ac 2ab'
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_audit_update_record
;
2018-03-15 deposited with the CCDC.
2018-06-13 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_volume                     1069.63(18)
_computing_cell_refinement       'APEX2(Bruker,2007)and SAINT (Bruker,2007)'
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_computing_molecular_graphics
;    
ORTEP-3 for Windows (Farrugia, 1997), DIAMOND (Brandenburg,
1999) and Mercury (Macrae <i>et al.</i>, 2006)
;
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   1.2(12)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0398P)^2^+0.1986P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 7057506--7057508.cif.'
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_shelx_res_checksum              41244