Information card for entry 2011500

Structure parameters

• Chemical name: Triazido[3,3'-diamino-N-methyldopropylamine]cobalt(III)
• Formula: C7 H19 Co N12
• Calculated formula: C7 H19 Co N12
• SMILES: [Co]12([NH2]CCC[N]1(CCC[NH2]2)C)(N=N#N)(N=N#N)N=N#N
• Title of publication: Triazidocobalt(III) complexes with tridentate amine ligands
• Authors of publication: Chun, Hyungphil; Bernal, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1326 - 1329
• a: 8.848 ± 0.005 Å
• b: 8.931 ± 0.002 Å
• c: 9.606 ± 0.003 Å
• α: 105.98 ± 0.02°
• β: 90.51 ± 0.04°
• γ: 106.99 ± 0.03°
• Cell volume: 694.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No