Information card for entry 4307313

Structure parameters

• Formula: C108 H96 Co3 Cr2 N24
• Calculated formula: C108 H96 Co3 Cr2 N24
• SMILES: [Co]123([N]#C[Cr]4(C#N)(C#N)(C#N)C#[N][Co]56([N]#C[Cr](C#N)(C#N)(C#N)(C#[N]1)C#[N][Co]17([N]#C4)([n]4cc(c(c8ccc9c(c(c[n]1c9c48)C)C)C)C)[n]1cc(c(c4ccc8c(c(c[n]7c8c14)C)C)C)C)([n]1cc(c(c4ccc7c(c(c[n]5c7c14)C)C)C)C)[n]1cc(c(c4ccc5c(c(c[n]6c5c14)C)C)C)C)([n]1cc(c(c4ccc5c(c(c[n]2c5c14)C)C)C)C)[n]1cc(c(c2ccc4c(c(c[n]3c4c12)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: 19.247 ± 0.012 Å
• b: 25.349 ± 0.01 Å
• c: 24.717 ± 0.013 Å
• α: 90°
• β: 97.82 ± 0.03°
• γ: 90°
• Cell volume: 11947 ± 11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2299
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No