Information card for entry 2019291

Structure parameters

• Common name: Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate
• Chemical name: Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate
• Formula: C2 H12 Ca N O11 V
• Calculated formula: C2 H12 Ca N O11 V
• SMILES: [V]123(=O)(OO1)(OO2)[NH2]CC(=O)O3.[Ca+2].O.O.O.O
• Title of publication: Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate
• Authors of publication: Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1494 - 1497
• a: 9.079 ± 0.002 Å
• b: 8.564 ± 0.002 Å
• c: 13.833 ± 0.004 Å
• α: 90°
• β: 106.016 ± 0.003°
• γ: 90°
• Cell volume: 1033.8 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0184
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No