Information card for entry 4303372

Structure parameters

• Formula: C24 H54 N18 Na3 O44 V10
• Calculated formula: C24 H54 N18 Na3 O44 V10
• SMILES: [V]1234(=O)O[V]567(=O)O[V]89%10%11[O]2[V]2%12%13(=O)O[V]%14%15(O[V]%16%17(=O)(O[V]%18%19%20(O[V]%21(O1)(=O)(O5)O[V]1(=O)(O6)([O]%18[V](=O)(O%16)(O%14)([O]91)[O]%11%13%15%17%20)[O]47%10%19%21)[O]3%12)O2)(=O)O8.c1(=O)[nH]ccc([nH+]1)N.c1(=O)[nH]ccc(n1)N.[Na+].[Na+].O.O=c1[nH]ccc([nH+]1)N.O.O.O.O.c1(=O)[nH]ccc([nH+]1)N.c1(=O)[nH]ccc([nH+]1)N.c1(=O)[nH]ccc(n1)N.[Na+].O.O.O.O.O
• Title of publication: Electronic Properties of a Cytosine Decavanadate: Toward a Better Understanding of Chemical and Biological Properties of Decavanadates
• Authors of publication: Nada Bošnjaković-Pavlović; Anne Spasojević-de Biré; Isabel Tomaz; Nouzha Bouhmaida; Fernando Avecilla; Ubavka B. Mioč; João Costa Pessoa; Nour Eddine Ghermani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9742 - 9753
• a: 9.8526 ± 0.0001 Å
• b: 12.2227 ± 0.0001 Å
• c: 13.0852 ± 0.0001 Å
• α: 85.995 ± 0.001°
• β: 80.11 ± 0.001°
• γ: 70.954 ± 0.001°
• Cell volume: 1467.23 ± 0.02 ų
• Cell temperature: 210 ± 1 K
• Ambient diffraction temperature: 210 ± 1 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: 0.0464
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No