Information card for entry 2017638

Structure parameters

• Common name: Cobalt(sepulchrate)trinitrate
• Chemical name: [(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane) cobalt(III) trinitrate
• Formula: C12 H30 Co N11 O9
• Calculated formula: C12 H30 Co N11.0002 O9.0006
• Title of publication: Orientational disorder in Λ-cobalt(III) sepulchrate trinitrate
• Authors of publication: Schönleber, Andreas; van Smaalen, Sander; Larsen, Finn Krebs
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m107 - m109
• a: 8.4945 ± 0.0005 Å
• b: 8.4945 ± 0.0005 Å
• c: 15.9195 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 994.8 ± 0.12 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 2.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes