Information card for entry 2103427

Structure parameters

• Common name: aminoguanidinium pentafluorozirconate
• Chemical name: aminoguanidinium pentafluorozirconate
• Formula: C H7 F5 N4 Zr
• Calculated formula: C H7 F5 N4 Zr
• SMILES: [Zr]1(F)(F)(F)(F)([F][Zr](F)([F]1)(F)F)F.NC(=[NH2+])NN.[NH2+]=C(N)NN
• Title of publication: Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons
• Authors of publication: Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 841 - 848
• a: 6.6404 ± 0.0006 Å
• b: 6.8981 ± 0.0005 Å
• c: 15.9872 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 732.31 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes