Information card for entry 1543484

Structure parameters

• Chemical name: <i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]
• Formula: C4 H18 B2 Na2 O14
• Calculated formula: C4 H18 B2 Na2 O14
• SMILES: B(O)(O)O.[Na+].O.[Na+].O.O.B(O)(O)O.C(=O)(CCC(=O)[O-])[O-].O
• Title of publication: <i>catena</i>-Poly[[sodium-di-μ-aqua-μ-(boric acid)-μ-succinato-sodium-di-μ-aqua] boric acid monosolvate]
• Authors of publication: Rajasekar, Gunasekaran; Vinothkumar, Panchanathan; Sudhahar, Sakkarapani; Chakkaravarthi, Ganesan; Bhaskaran, Arumugam
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160948
• a: 7.8524 ± 0.0004 Å
• b: 14.8559 ± 0.0009 Å
• c: 12.6646 ± 0.0006 Å
• α: 90°
• β: 96.964 ± 0.005°
• γ: 90°
• Cell volume: 1466.48 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes