Information card for entry 2223418

Structure parameters

• Chemical name: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) tris(hexafluoridophosphate) hexahydrate
• Formula: C18 H36 Co F18 N12 O6 P3
• Calculated formula: C18 H36 Co F18 N12 O6 P3
• SMILES: c1[n](cc[nH]1)[Co]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1.[P](F)(F)(F)(F)(F)[F-].O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O.O.O.O
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) tris(hexafluoridophosphate) hexahydrate
• Authors of publication: Surdykowski, Andrzej; Łeczkowska, Anna; Dobrzańska, Liliana; Szłyk, Edward
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1256 - m1257
• a: 20.9911 ± 0.0013 Å
• b: 20.9911 ± 0.0013 Å
• c: 7.0156 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2677.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes