Information card for entry 2230161

Structure parameters

• Chemical name: Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate
• Formula: C20 H18 Co F6 N6 P
• Calculated formula: C20 H18 Co F6 N6 P
• SMILES: c1cccc2[n]1[Co]13([n]4ccccc4C[N]3(C2)Cc2[n]1cccc2)(C#N)C#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Dicyanido[tris(2-pyridylmethyl)amine]cobalt(III) hexafluoridophosphate
• Authors of publication: Yu, Fan; Li, Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m566
• a: 10.703 ± 0.002 Å
• b: 13.472 ± 0.003 Å
• c: 15.151 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2184.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 100 kPa
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes