Information card for entry 2211903

Structure parameters

• Chemical name: Bis(diethylenetriamine)cobalt(III) hexacyanocobaltate(III) monohydrate
• Formula: C14 H30 Co2 N12 O2
• Calculated formula: C14 H30 Co2 N12 O2
• SMILES: C(#N)[Co](C#N)(C#N)(C#N)(C#N)C#N.C1[NH2][Co]234([NH2]CC[NH]4C1)[NH2]CC[NH]3CC[NH2]2.O.O
• Title of publication: Bis(diethylenetriamine)cobalt(III) hexacyanocobaltate(III) dihydrate
• Authors of publication: Ou, Guang-Chuan; Chen, Hai-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m36 - m38
• a: 8.148 ± 0.003 Å
• b: 12.217 ± 0.004 Å
• c: 10.935 ± 0.004 Å
• α: 90°
• β: 94.973 ± 0.007°
• γ: 90°
• Cell volume: 1084.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes