Information card for entry 2107629

Structure parameters

• Formula: C12 H30 Co N11 O9
• Calculated formula: C12 H30 Co N11.0006 O9
• Title of publication: The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds
• Authors of publication: Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 372 - 380
• a: 8.4283 ± 0.0001 Å
• b: 14.5984 ± 0.0001 Å
• c: 15.7057 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 89.9943 ± 0.0003°
• Cell volume: 1932.42 ± 0.03 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1 (c,2*a+c,b)
• Hall space group symbol: P 2yb (-1/2*x+z,1/2*x,y)
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for significantly intense reflections: 2.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.50917 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes