Information card for entry 4328372

Structure parameters

• Common name: (Co(AEPA)2)2[{Co(AEPA)2}V15Sb6O42(H2O)]*5H2O
• Formula: C30 H102 Co3 N18 O48 Sb6 V15
• Calculated formula: C30 H90 Co3 N18 O48 Sb6 V15
• SMILES: [Sb]12O[Sb]3[O]4[V]56([O]2[V]27(=O)[O]8[Sb]9O[Sb]%10[O]%11[V]%128(=O)[O]8[V]%13%11(=O)[O]%11[V]%14%15(=O)[O]%16[Sb]%17O[Sb]%18[O]%19[V]%20(=O)([O]3[V]3%21([O]1[V]8(=O)([O]%21[V](=O)([O]%203)([O]%13%14)[O]%15%18)[O]7%12)=O)[O]1[V]3%19(=O)[O]7[V]8(=O)([O]%12[V]%13(=O)([O]9[V]%12(=O)([O]52)[O]6[V]417O[Co]124([NH](CC[NH2]1)CCCN)[NH](CCC[NH2]2)CC[NH2]4)[O]%10[V]%11%16(=O)[O]8%13)[O]%173)=O.[Co]1234([NH2]CC[NH]1CCC[NH2]2)[NH2]CC[NH]3CCC[NH2]4.[Co]1234([NH2]CC[NH]3CCC[NH2]1)[NH2]CC[NH]2CCC[NH2]4.O.O.O.O.O.O
• Title of publication: Expansion of Antimonato Polyoxovanadates with Transition Metal Complexes: (Co(N3C5H15)2)2[{Co(N3C5H15)2}V15Sb6O42(H2O)].5H2O and (Ni(N3C5H15)2)2[{Ni(N3C5H15)2}V15Sb6O42(H2O)].8H2O
• Authors of publication: Elena Antonova; Christian Näther; Paul Kögerler; Wolfgang Bensch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2311 - 2317
• a: 14.3438 ± 0.0004 Å
• b: 16.6471 ± 0.0006 Å
• c: 18.9186 ± 0.0006 Å
• α: 87.291 ± 0.003°
• β: 83.34 ± 0.003°
• γ: 78.89 ± 0.003°
• Cell volume: 4401.4 ± 0.2 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: 0.041
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No