Information card for entry 4505846

Structure parameters

• Chemical name: mer-[N-(2-aminoethyl)-1,3-propanediamine]trichlorocobalt(III)
• Formula: C5 H15 Cl3 Co N3
• Calculated formula: C5 H15 Cl3 Co N3
• SMILES: [Co]12(Cl)(Cl)(Cl)[NH2]CC[NH]1CCC[NH2]2
• 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: 9.057 ± 0.004 Å
• b: 17.702 ± 0.007 Å
• c: 6.699 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No