Information card for entry 2020790

Structure parameters

• Chemical name: Triguanidinium hexafluoridovanadate(III)
• Formula: C3 H18 F6 N9 V
• Calculated formula: C3 H18 F6 N9 V
• SMILES: [V](F)(F)(F)([F-])([F-])[F-].NC(=[NH2+])N.NC(=[NH2+])N.NC(=[NH2+])N
• Title of publication: Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
• Authors of publication: Black, Cameron; Lightfoot, Philip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 244 - 246
• a: 14.095 ± 0.003 Å
• b: 14.095 ± 0.003 Å
• c: 14.095 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2800.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes