Information card for entry 4310834

Structure parameters

• Formula: C5 H22 Cl4 Co N5 Zn
• Calculated formula: C5 H22 Cl4 Co N5 Zn
• SMILES: [Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)([NH3])C.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands
• Authors of publication: Pauli Kofod; Pernille Harris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2680 - 2688
• a: 7.654 ± 0.002 Å
• b: 13.368 ± 0.002 Å
• c: 14.662 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No