Information card for entry 7225239

Structure parameters

• Formula: C18 H70 Co2 N12 O47 Sb8 V14
• Calculated formula: C18 H60 Co2 N12 O47 Sb8 V14
• SMILES: C1[C@@H](C)[NH2][Co]23([NH2]C[C@@H]([NH2]2)C)([NH2]1)[NH2][C@H](C[NH2]3)C.O=[V]123[O]4[V]56(=O)[O]2[V]27([O]8[V]9%10([O]%11[V]%12%13([O]%14[V]%15%16(=O)[O]%17[V]%18%19([O]%20[V](=O)([O]%19[Sb](O[Sb]%11%17)[O]7%10)([O]5[Sb]5O[Sb]4[O]4[V]7%10([O]1[V]1%11(=O)[O]3[Sb]8O[Sb]([O]9%12)[O]%11[V]3(=O)([O]%101)[O]%13[V]1%14(=O)[O]%16[Sb]8[O]9[V]%20([O]%15%18)([O]5[V]49(=O)[O]7[Sb](O8)[O]31)=O)=O)[O]62)=O)=O)=O)=O.O.O.O.C1[C@H](C)[NH2][Co]23([NH2]1)([NH2]C[C@@H](C)[NH2]2)[NH2][C@H](C[NH2]3)C.O.O
• Title of publication: Vanadoantimonates: from discrete clusters to high dimensional aggregates
• Authors of publication: Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5130
• a: 29.05 ± 0.006 Å
• b: 15.812 ± 0.003 Å
• c: 21.821 ± 0.004 Å
• α: 90°
• β: 128.43 ± 0.03°
• γ: 90°
• Cell volume: 7852 ± 4 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: 0.0533
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No