Information card for entry 7017905

Structure parameters

• Common name: (Ni(C4N3H13)2)4(V16Sb4O42(H2O))
• Formula: C32 H106 N24 Ni4 O43 Sb4 V16
• Calculated formula: C32 H104 N24 Ni4 O51 Sb4 V16
• SMILES: C1[NH2][Ni]234([NH](CC[NH2]2)CC[NH2]3)[NH](C1)CC[NH2]4.C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.[O][V]123[O]4[V]56(=O)[O]7[V]89([O]%10[V]%11(=O)([O]%12[V]%13%14(=O)[O]%15[V]%16%17(=O)[O]%18[V]%19%20([O]%21[V]%22%23(=O)[O]%24[V]%25(=O)([O]5[V]5%24([O]%23[Sb]%23[O]%24[V]([O]8%13)([O]%14[V]8%24([O]%16[V]%18%21([O]%228)=O)=O)([O]9[Sb]([O]65)O%23)=O)=O)[O]%19[V]5([O]2%25)([O]3[Sb]2[O]%11[V]%12%15(=O)[O]%17[Sb]([O]%205)O2)=O)=O)[O]1[V]47%10=O)=O.[NH2]1[Ni]234([NH](CC[NH2]4)CC[NH2]3)[NH](CC1)CC[NH2]2.O.O.O.O.O.C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.O.O.O.O
• 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: 13.5159 ± 0.0004 Å
• b: 14.2497 ± 0.0005 Å
• c: 14.9419 ± 0.0004 Å
• α: 98.322 ± 0.002°
• β: 114.08 ± 0.002°
• γ: 110.13 ± 0.002°
• Cell volume: 2326.36 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No