Information card for entry 2018761

Structure parameters

• Common name: Triammonium formatotetraperoxidodimolybdate
• Chemical name: Triammonium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
• Formula: C H13 Mo2 N3 O13
• Calculated formula: C H13 Mo2 N3 O13
• SMILES: [NH4+].[NH4+].O=[Mo]123(OO1)(OO2)O[Mo]12(=O)(OO1)(OO2)[O]=CO3.[NH4+]
• Title of publication: Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
• Authors of publication: Takehara, Masaki; Hashimoto, Masato
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 37 - 40
• a: 6.091 ± 0.002 Å
• b: 11.622 ± 0.004 Å
• c: 16.8 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1189.3 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes