Information card for entry 2013762

Structure parameters

• Chemical name: aminoguanidinium(1+) hexafluorozirconate
• Formula: C2 H14 F6 N8 Zr
• Calculated formula: C2 H14 F6 N8 Zr
• SMILES: C(=[NH2+])(N)NN.[Zr](F)(F)(F)(F)([F-])[F-].C(=[NH2+])(N)NN
• Title of publication: Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis
• Authors of publication: C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m24 - m26
• a: 6.3705 ± 0.0004 Å
• b: 6.3288 ± 0.0009 Å
• c: 14.563 ± 0.0008 Å
• α: 90°
• β: 99.606 ± 0.004°
• γ: 90°
• Cell volume: 578.91 ± 0.1 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes