Information card for entry 4348261

Structure parameters

• Formula: C6 H16 Co N9 O12
• Calculated formula: C6 H16 Co N9 O12
• SMILES: [Co](N(=O)=O)(N(=O)=O)([NH3])([NH3])([NH3])[NH3].c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.O
• 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: 6.8481 ± 0.0003 Å
• b: 13.4859 ± 0.0005 Å
• c: 18.5624 ± 0.0006 Å
• α: 75.421 ± 0.003°
• β: 89.746 ± 0.003°
• γ: 85.199 ± 0.003°
• Cell volume: 1653.02 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No