Information card for entry 2232400

Structure parameters

• Chemical name: Tris(pyridin-2-ylmethanol)nickel(II) hexafluoridophosphate trifluoroacetate
• Formula: C20 H21 F9 N3 Ni O5 P
• Calculated formula: C20 H21 F9 N3 Ni O5 P
• Title of publication: Tris(pyridin-2-ylmethanol)nickel(II) hexafluoridophosphate trifluoroacetate
• Authors of publication: Hamaguchi, Tomohiko; Nagata, Tomoko; Kawata, Satoshi; Ando, Isao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1632
• a: 9.6381 ± 0.0002 Å
• b: 11.9668 ± 0.0004 Å
• c: 11.9892 ± 0.0003 Å
• α: 109.95 ± 0.001°
• β: 95.348 ± 0.001°
• γ: 101.411 ± 0.001°
• Cell volume: 1254.6 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes