Information card for entry 2011498

Structure parameters

• Chemical name: Triazido[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]cobalt(III)
• Formula: C6 H17 Co N12
• Calculated formula: C6 H17 Co N12
• SMILES: [Co]12([NH2]CC[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: 8.56 ± 0.003 Å
• b: 9.404 ± 0.002 Å
• c: 16.149 ± 0.004 Å
• α: 90°
• β: 91.65 ± 0.03°
• γ: 90°
• Cell volume: 1299.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for all reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes