Information card for entry 7224158

Structure parameters

• Formula: C8 H26 N2 O23 V6
• Calculated formula: C8 H26 N2 O23 V6
• SMILES: C1C2(C[O]3[V]456([O]1[V]178(=O)[O]9%10%114[V]4%12(O5)(O[V]3%11([O]8C2)(O[V]2%10(O7)([O]%12CC3(C[O]4[V]9(O1)([O]2C3)(O6)=O)[NH3+])=O)=O)=O)=O)[NH3+].O.O.O.O
• Title of publication: Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]
• Authors of publication: Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4042
• a: 10.381 ± 0.002 Å
• b: 12.311 ± 0.003 Å
• c: 9.6175 ± 0.0019 Å
• α: 90°
• β: 104.2 ± 0.03°
• γ: 90°
• Cell volume: 1191.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No