Information card for entry 2019566

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(3<i>H</i>-imidazol-1-ium) [[tetracyanido-κ^4^<i>C</i>-cobalt(III)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[diaqualithium(I)]-κ^2^<i>N</i>:<i>C</i>]
• Formula: C12 H14 Co Li N10 O2
• Calculated formula: C12 H14 Co Li N10 O2
• SMILES: C(#N)[Co](C#N)(C#N)(C#N)(C#N)C#N.c1[nH]cc[nH+]1.[Li]([OH2])[OH2].c1[nH]cc[nH+]1
• Title of publication: An organic‒inorganic hybrid compound containing imidazolium cations and a one-dimensional lithium hexacyanidocobaltate-based anionic framework
• Authors of publication: Shao, Xiu-Dan; Yu, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• a: 15.581 ± 0.007 Å
• b: 7.857 ± 0.002 Å
• c: 16.809 ± 0.008 Å
• α: 90°
• β: 113.2 ± 0.03°
• γ: 90°
• Cell volume: 1891.4 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes