Information card for entry 2203013

Structure parameters

• Chemical name: Disodium μ-triethylenetetraaminehexaacetatodi[oxovanadate(IV)] hexahydrate
• Formula: C18 H36 N4 Na2 O20 V2
• Calculated formula: C18 H36 N4 Na2 O20 V2
• SMILES: C1C(=O)O[V]234([N]1(CC[N]15[V]67(=O)(OC(=O)C[N]7(CC(=O)O6)CC5)OC(=O)C1)CC[N]2(CC(=O)O3)CC(=O)O4)=O.O.O.[Na+].[Na+].O.O.[Na+].O.O
• Title of publication: Disodium μ-triethylenetetraaminehexaacetato-bis[oxovanadate(IV)] hexahydrate
• Authors of publication: Long, La-Sheng; Ren, Yan-Ping; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m456 - m458
• a: 6.7086 ± 0.0002 Å
• b: 10.5746 ± 0.0003 Å
• c: 20.9333 ± 0.0005 Å
• α: 90°
• β: 98.678 ± 0.001°
• γ: 90°
• Cell volume: 1468.02 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.082
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes