Information card for entry 7028226

Structure parameters

• Common name: Triethylammonium aquachlorooxodiperoxomolybdate
• Chemical name: Triethylmethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)
• Formula: C7 H20 Cl Mo N O6
• Calculated formula: C7 H20 Cl Mo N O6
• SMILES: [Mo]12(Cl)(=O)(OO1)(OO2)[OH2].[N+](CC)(CC)(CC)C
• Title of publication: Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).
• Authors of publication: Saito, Masa-aki; Hashimoto, Masato
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 402 - 405
• a: 8.219 ± 0.004 Å
• b: 11.656 ± 0.005 Å
• c: 13.671 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1309.7 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No