Information card for entry 8107396

Structure parameters

• Formula: C8 H11 Ba N2 Na O13
• Calculated formula: C8 H11 Ba N2 Na O13
• Title of publication: Crystal structure of poly[di-µ2-aqua-aqua-nitrato-κ2 O,O′-(µ3-2-nitroisophthalato-κ4 O,O′:O″:O′″)barium(II)natrium(II)] monohydrate, C8H11BaN2NaO13
• Authors of publication: Huang, Guang; Xing, Yalong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 207 - 209
• a: 7.4892 ± 0.0006 Å
• b: 9.914 ± 0.0009 Å
• c: 11.3274 ± 0.0007 Å
• α: 106.813 ± 0.007°
• β: 98.508 ± 0.006°
• γ: 107.024 ± 0.007°
• Cell volume: 744.53 ± 0.12 ų
• Cell temperature: 292.6 ± 0.6 K
• Ambient diffraction temperature: 292.6 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No