Information card for entry 4348259

Structure parameters

• Formula: C7 H21 Co N16 O4
• Calculated formula: C7 H21 Co N16 O4
• SMILES: [Co]([n]1ccccc1)(N(=O)=O)([NH3])([NH3])([NH3])[NH3].O.O.[n-]1nnnc1/N=N/c1[n-]nnn1
• Title of publication: Explosive Werner-type cobalt(iii) complexes
• Authors of publication: Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 621
• a: 7.346 ± 0.0015 Å
• b: 9.907 ± 0.002 Å
• c: 13.308 ± 0.003 Å
• α: 71.6 ± 0.03°
• β: 83.33 ± 0.03°
• γ: 78.54 ± 0.03°
• Cell volume: 899.2 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No