Information card for entry 4307311

Structure parameters

• Formula: C108 H96 Co2 N24 Zn3
• Calculated formula: C108 H96 Co2 N24 Zn3
• SMILES: [Zn]123([N]#C[Co]4(C#N)(C#N)(C#N)C#[N][Zn]56([N]#C[Co](C#N)(C#N)(C#N)(C#[N]1)C#[N][Zn]17([N]#C4)([n]4cc(c(c8c4c4[n]1cc(c(c4cc8)C)C)C)C)[n]1cc(c(c4c1c1[n]7cc(c(c1cc4)C)C)C)C)([n]1cc(c(c4c1c1[n]5cc(c(c1cc4)C)C)C)C)[n]1cc(c(c4c1c1[n]6cc(c(c1cc4)C)C)C)C)([n]1cc(c(c4c1c1[n]2cc(c(c1cc4)C)C)C)C)[n]1cc(c(c2c1c1[n]3cc(c(c1cc2)C)C)C)C
• Title of publication: Systematic Investigation of Trigonal-Bipyramidal Cyanide-Bridged Clusters of the First-Row Transition Metals
• Authors of publication: Mikhail Shatruk; Kristen E. Chambers; Andrey V. Prosvirin; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5155 - 5165
• a: 19.348 ± 0.005 Å
• b: 25.48 ± 0.007 Å
• c: 25.186 ± 0.007 Å
• α: 90°
• β: 97.888 ± 0.004°
• γ: 90°
• Cell volume: 12299 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 5
• 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: 0.2525
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No