Information card for entry 2236923

Structure parameters

• Chemical name: Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]
• Formula: C20 H28 Mo2 N2 O14
• Calculated formula: C20 H28 Mo2 N2 O14
• SMILES: C[N+](c1ccccc1)(C)C.O=[Mo]123(OO1)(OC1=[O][Mo]45(=O)(OO4)(OO5)OC1=[O]3)OO2.C[N+](C)(C)c1ccccc1
• Title of publication: Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]
• Authors of publication: Oba, Ayaka; Hashimoto, Masato
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1467
• a: 9.86 ± 0.002 Å
• b: 9.975 ± 0.002 Å
• c: 13.691 ± 0.003 Å
• α: 90°
• β: 94.023 ± 0.003°
• γ: 90°
• Cell volume: 1343.2 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes