Information card for entry 2210665

Structure parameters

• Chemical name: bis(diethylenetriamine-κ^3^N)cobalt(II) dichloride monohydrate
• Formula: C8 H28 Cl2 Co N6 O
• Calculated formula: C8 H28 Cl2 Co N6 O
• SMILES: [Co]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.[Cl-].[Cl-].O
• Title of publication: Bis(diethylenetriamine-κ^3^<i>N</i>)cobalt(II) dichloride monohydrate
• Authors of publication: Hong-Juan Li; Li-Mei Sun; Zhi-Hong Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2522 - m2523
• a: 13.459 ± 0.004 Å
• b: 8.817 ± 0.003 Å
• c: 13.951 ± 0.004 Å
• α: 90°
• β: 102.097 ± 0.004°
• γ: 90°
• Cell volume: 1618.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes