Information card for entry 2200815

Structure parameters

• Formula: H30 Mo6 N4 Ni O28
• Calculated formula: Mo6 N4 Ni O28
• SMILES: [Mo]123(O[Mo]45(O[Mo]67(O[Mo]89([OH]%10[Mo]%11(O[Mo]%12([OH]1[Ni]%10([OH]34)([OH]%11%12)([OH]56)[OH]79)(=O)(O2)=O)(O8)(=O)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Tetraammonium hexahydrogen hexamolybdonickelate(II) tetrahydrate, (NH~4~)~4~[H~6~NiMo~6~O~24~]·4H~2~O
• Authors of publication: Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: i6 - i8
• a: 11.994 ± 0.003 Å
• b: 11.131 ± 0.002 Å
• c: 11.384 ± 0.009 Å
• α: 90°
• β: 109.31 ± 0.08°
• γ: 90°
• Cell volume: 1434.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes