Information card for entry 4505845

Structure parameters

• Chemical name: [N,N-(2-aminoethyl)-methyl-1,3-propanediamine]tricyanocobalt(III)
• Formula: C9 H17 Co N6
• Calculated formula: C9 H17 Co N6
• SMILES: [Co]12([NH2]CC[NH]1CCC[NH]2C)(C#N)(C#N)C#N
• Title of publication: Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures
• Authors of publication: Chun, Hyungphil; Bernal, Ivan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2001
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 143
• a: 6.594 ± 0.002 Å
• b: 7.217 ± 0.003 Å
• c: 14.305 ± 0.003 Å
• α: 77.61 ± 0.02°
• β: 78.56 ± 0.02°
• γ: 68.17 ± 0.03°
• Cell volume: 611.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1038
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections: 0.993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No