Information card for entry 2312595

Structure parameters

• Common name: [(Bg)(HV10O285-)]0.4/[(HGU+)(HV10O286-)]0.6(H2Met2+)2(H3O+) Octahydrate
• Chemical name: imidodicarbonimidic diamide bis(dihydro-3-(diaminomethylidene)-1,1-dimethylguanidine) bis(μ~6~-oxo)-tetrakis(μ~3~-oxo)-tetradecakis(μ~2~-oxo)-octa-oxo- deca-vanadium(V) octahydrate
• Formula: C10 H53 N14.4 O37.6 V10
• Calculated formula: C10 H49.4 N14.4 O37.6 V10
• Title of publication: Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV₁₀O₂₈^5-)]_0.4[(HGU⁺)(V₁₀O₂₈^6-)]_0.6(H₂Met²⁺)₂(H₃O⁺)·8H₂O.
• Authors of publication: Chatkon, Aungkana; Haller, Kenneth J.; Haller, Joseph P.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 456 - 466
• a: 13.4299 ± 0.0022 Å
• b: 12.4338 ± 0.0022 Å
• c: 14.4959 ± 0.0024 Å
• α: 90°
• β: 111.519 ± 0.008°
• γ: 90°
• Cell volume: 2251.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes