Information card for entry 7017903

Structure parameters

• Common name: (Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8
• Chemical name: (Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8
• Formula: C24 H96 N18 Ni3 O51 Sb6 V15
• Calculated formula: C24 H78 N18 Ni3 O42 Sb6 V15
• SMILES: [Sb]12O[Sb]3[O]4[V]56(=O)[O]7[V]89([O]%10[Sb]%11[O]%12[V]4([O]4[V]%13%12([O]%12[V]%144([O]4[V]%15%16(=O)[O]%17[V]%18(=O)([O]1[V]4%17(=O)[O]3%14)[O]1[V]34([O]([V]%14%17([O]3[Sb]3O[Sb]([O]%184)[O]%15[V]4%15([O]%18[V]%12(=O)([O]%13[Sb]([O]%12[V]%10([O]8%14)([O]%17[V]%18%12(=O)[O]3%15)=O)O%11)[O]%164)=O)=O)[V]71(=O)[O]26)=O)=O)=O)(=O)[O]59)=O.[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4
• Title of publication: Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].
• Authors of publication: Antonova, Elena; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1338 - 1344
• a: 46.9378 ± 0.0003 Å
• b: 46.9378 ± 0.0003 Å
• c: 16.513 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36380.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No