Information card for entry 1563716

Structure parameters

• Chemical name: Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate
• Formula: C8 H52 N14 O34 V10
• Calculated formula: C8 H52 N14 O34 V10
• SMILES: C(NC(=[NH2+])N(C)C)(=[NH2+])N.[NH4+].[NH4+].O=[V]1234O[V]567(O[V]89%10%11O[V]%12%13%14([O]%15%16%17%10[V]%10%18(=O)(O[V]%19%15([O]9[V]9%15(=O)(O5)O[V]5(=O)(O6)(O2)O[V]%16(O%10)([O]%199)([O]3[V]%17([O]18)(=O)(O%18)O%13)[O]47%11%155)(=O)O%14)O%12)=O)=O.O.O.O.C(NC(=[NH2+])N(C)C)(=[NH2+])N.[NH4+].[NH4+].O.O.O
• Title of publication: Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate
• Authors of publication: Polito-Lucas, J. Alberto; Núñez-Ávila, José A.; Bernès, Sylvain; Pérez-Benítez, Aarón
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 6
• Pages of publication: x210634
• a: 9.7965 ± 0.0002 Å
• b: 10.101 ± 0.0002 Å
• c: 13.0974 ± 0.0003 Å
• α: 81.081 ± 0.002°
• β: 70.906 ± 0.002°
• γ: 63.321 ± 0.002°
• Cell volume: 1094.3 ± 0.05 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes