The Na—O bond in sodium fenamate
Krawczyk, Marta S.; Majerz, Irena; Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75 (2019) –; doi:10.1107/S2052520619009065

data_2021771
_publ_section_title
;
 The Na---O bond in sodium fenamate
;
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_journal_name_full
'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials'
_journal_paper_doi               10.1107/S2052520619009065
_journal_volume                  75
_journal_year                    2019
_chemical_formula_moiety         'C13 H14 N Na O4, H2 O'
_chemical_formula_sum            'C13 H16 N Na O5'
_chemical_formula_weight         289.26
_space_group_crystal_system      monoclinic
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_cell_measurement_temperature    293(2)
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_cell_volume                     1432.8(10)
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'CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)'
;
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'CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)'
;
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'CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)'
;
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Analytical numeric absorption correction using a multifaceted crystal
   model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.690
_exptl_crystal_size_min          0.440
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_refine_diff_density_min         -0.47
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2603
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1355P)^2^+0.2705P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1814
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2331
_reflns_number_total             2603
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.487
_shelx_estimated_absorpt_t_max   0.638
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