Information card for entry 2205307

Structure parameters

• Chemical name: Acetato(methanol)[N-phenyl-N,N-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate
• Formula: C21 H24 Cu F6 N3 O3 P
• Calculated formula: C21 H24 Cu F6 N3 O3 P
• Title of publication: Acetato(methanol)[<i>N</i>-phenyl-<i>N,N</i>-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate
• Authors of publication: Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m478 - m480
• a: 18.8196 ± 0.0007 Å
• b: 18.4938 ± 0.0008 Å
• c: 13.5023 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4699.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes