Information card for entry 2015185

Structure parameters

• Chemical name: Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium tetrahydrate
• Formula: C6 H18 N4 O11 S3 V
• Calculated formula: C6 H18 N4 O11 S3 V
• SMILES: [V]1([OH2])([OH2])(=O)(OS(=O)(=O)[O-])[n]2c(scc2c2[n]1c(sc2)N)N.O.O.O.O
• Title of publication: Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium(IV) tetrahydrate
• Authors of publication: Zhi-Yong Wu; Yan-Tuan Li; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m463 - m465
• a: 7.9043 ± 0.0016 Å
• b: 10.23 ± 0.002 Å
• c: 12.597 ± 0.003 Å
• α: 102.32 ± 0.03°
• β: 102.61 ± 0.03°
• γ: 110.5 ± 0.03°
• Cell volume: 883 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0365
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes