Information card for entry 4505843

Structure parameters

• Chemical name: fac-(diethylenetriamine)tricyanocobalt(III)
• Formula: C7 H13 Co N6
• Calculated formula: C7 H13 Co N6
• SMILES: C1[NH2][Co]2(C#N)(C#N)(C#N)[NH2]CC[NH]2C1
• 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: 6.499 ± 0.003 Å
• b: 12.666 ± 0.004 Å
• c: 7.348 ± 0.003 Å
• α: 90°
• β: 115.94 ± 0.03°
• γ: 90°
• Cell volume: 543.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No