Information card for entry 2202474

Structure parameters

• Formula: C12 H26 N10 Ni2
• Calculated formula: C12 H26 N10 Ni2
• SMILES: C(#N)[Ni](C#N)(C#N)C#N.C1C[NH]2CC[NH2][Ni]342([NH2]CC[NH]4CC[NH2]3)[NH2]1
• Title of publication: Bis(diethylenetriamine)nickel(II) tetracyanonickelate(II)
• Authors of publication: Muga, Iñaki; Vitoria, Pablo; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m576 - m578
• a: 15.138 ± 0.002 Å
• b: 9.458 ± 0.001 Å
• c: 15.248 ± 0.002 Å
• α: 90°
• β: 111.884 ± 0.016°
• γ: 90°
• Cell volume: 2025.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1278
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.701
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes