Information card for entry 7209618

Structure parameters

• Formula: C24 H72 Ge5 N12 O30 V6
• Calculated formula: C24 H48 Ge5 N12 O30 V6
• SMILES: [V]123([O]4[V]56([O]7[V]89([O]5[Ge]5%10%11(O[Ge]%124O[Ge]4%13%14([O]1[V]1%15([O]%16[V]%17%18([O]4%15)(=O)[O]%12[V]([O]85)([O]9[Ge]%16(O[Ge]7([O]21)=O)=O)([O]%17CC[NH]%18CCN)(=O)OCCNCCN)=O)OCC[NH]%13CC[NH2]%14)OCC[NH]%10CC[NH2]%11)=O)([O]3CC[NH]6CC[NH2])=O)(=O)OCC[NH]CC[NH2].O.O.O
• Title of publication: A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)
• Authors of publication: You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2411
• a: 26.1217 ± 0.001 Å
• b: 20.3172 ± 0.0006 Å
• c: 21.5286 ± 0.0005 Å
• α: 90°
• β: 90.214 ± 0.003°
• γ: 90°
• Cell volume: 11425.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1205
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No