Information card for entry 4505848

Structure parameters

• Chemical name: mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]cyanodinitrocobalt(III)
• Formula: C6 H15 Co N6 O4
• Calculated formula: C6 H15 Co N6 O4
• SMILES: [Co]12([NH2]CC[NH]1CCC[NH2]2)(N(=O)=O)(N(=O)=O)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: 9.5719 ± 0.0013 Å
• b: 13.8582 ± 0.0014 Å
• c: 8.849 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1173.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No