Information card for entry 4348254

Structure parameters

• Formula: C2 H17 Co N18 O
• Calculated formula: C2 H17 Co N18 O
• SMILES: [Co](N=N#N)([NH3])([NH3])([NH3])([NH3])[NH3].N(=N/c1n[n-]nn1)\c1n[n-]nn1.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: 12.067 ± 0.002 Å
• b: 7.4493 ± 0.0015 Å
• c: 15.764 ± 0.003 Å
• α: 90°
• β: 90.94 ± 0.03°
• γ: 90°
• Cell volume: 1416.8 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No