Information card for entry 7225237

Structure parameters

• Formula: C12 H62 Co2 N12 O48 Sb6 V15
• Calculated formula: C12 H42 Co2 N12 O48 Sb6 V15
• SMILES: C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[N]1[Co]23([NH2]CC1)([NH2]CC[N]2)[NH2]CC[N]3.O=[V]123[O]4[V]56(=O)[O]2[V]27(=O)[O]1[V]18(=O)[O]3[Sb]3O[Sb]4[O]4[V]9%10(=O)[O]5[V]5%11(=O)[O]%12[V]%13(=O)([O]%14[V]%15%16(=O)[O]%17[V]%18(=O)([O]2[V]2(=O)([O]1[V]1%19(=O)[O]%20[V]%21([O]3[V]34([O]9[V]4(=O)([O]9[V]%14(=O)([O]%16[Sb](O[Sb]%209)[O]2%19)[O]%134)[O]%213)=O)(=O)[O]81)[O]%15%18)[O]7[Sb](O[Sb]%12%17)[O]65)[O]%10%11.O.O.O.O.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: 12.4543 ± 0.0018 Å
• b: 12.4543 ± 0.0018 Å
• c: 39.916 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5361.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No