Information card for entry 7001765

Structure parameters

• Formula: Ga K3 Mo6 O31
• Calculated formula: Ga K3 Mo6 O31
• SMILES: O=[Mo]123(=O)O[Mo]45([O]1[Ga]1678[O]5[Mo]5(O4)(=O)(=O)O[Mo]4([O]15)(=O)(=O)O[Mo]1([O]64)(=O)(=O)O[Mo]([O]71)(=O)(=O)(O2)[O]38)(=O)=O.[K+].[K+].[K+].O.O.O.O.O.O.O
• Title of publication: A route to a Keggin-Type α-[(XIIIO4)Mo12O35(OH)]4− anion through an Anderson-type [XIII(OH)6Mo6O18]3− anion: X = Ga
• Authors of publication: Himeno, Sadayuki; Murata, Satomi; Eda, Kazuo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6114
• a: 22.371 ± 0.003 Å
• b: 11.295 ± 0.0013 Å
• c: 11.4347 ± 0.0013 Å
• α: 90°
• β: 94.749 ± 0.002°
• γ: 90°
• Cell volume: 2879.4 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No