Information card for entry 7203230

Structure parameters

• Formula: C10 H26 Na4 O20
• Calculated formula: C10 H2 Na4 O20
• SMILES: [Na+].[Na+].[Na+].[Na+].c1(c(cc(c(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small>₄</small>bta)
• Authors of publication: Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 338
• a: 6.9997 ± 0.0004 Å
• b: 16.426 ± 0.0009 Å
• c: 20.3312 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2337.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No