Information card for entry 7019408

Structure parameters

• Formula: C24 H90 N16 O49 Sb4 V16 Zn2
• Calculated formula: C24 H76 N16 O49 Sb4 V16 Zn2
• SMILES: C1C[N]23CC[NH2][Zn]3([NH2]1)([NH2]CC2)[NH2]CCN(CC[NH3+])CC[NH3+].[O]12[V]34([O]5[V]67(=O)[O]8[V]9(=O)([O]36)[O]3[V]6%10([O]%11[V]%12%13([O]%14[V]%15%16(=O)[O]([V]%178([O]%15[V]8%15([O]%18[Sb](O[Sb]5[O]5[V]%19%202([O]2[V]%21%22([O]%23[V]%24(=O)([O]%12[V]([O]%168)([O]%15[V]%185([O]%19%21)=O)(=O)[O]%22%24)[O]%13[Sb]5O[Sb]%23[O]8[V]1%202([O]4[V]8([O]96)([O]%105)=O)=O)=O)=O)[O]7%17)=O)=O)[V]3%11%14=O)=O)=O)=O.O.O.O.O.C1C[N]23CC[NH2][Zn]3([NH2]1)([NH2]CC2)[NH2]CCN(CC[NH3+])CC[NH3+].O.O.O
• Title of publication: A C(2)-symmetric antimonato polyoxovanadate cluster [V(16)Sb(4)O(42)(H(2)O)](8-) derived from the {V(18)O(42)} archetype.
• Authors of publication: Antonova, Elena; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 6957 - 6962
• a: 30.707 ± 0.0019 Å
• b: 13.9512 ± 0.0005 Å
• c: 23.1435 ± 0.0014 Å
• α: 90°
• β: 128.076 ± 0.006°
• γ: 90°
• Cell volume: 7804.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No