Information card for entry 4307312

Structure parameters

• Formula: C108 H96 Cr5 N24
• Calculated formula: C108 H96 Cr5 N24
• SMILES: [Cr]123([n]4cc(c(c5c4c4[n]2cc(c(c4cc5)C)C)C)C)([n]2c4c(c(c(c2)C)C)ccc2c(c(c[n]1c42)C)C)[N]#C[Cr]1(C#[N][Cr]24([n]5cc(C)c(c6ccc7c([n]4cc(C)c7C)c56)C)([n]4c5c(c(C)c(c4)C)ccc4c5[n]2cc(c4C)C)[N]#C[Cr](C#[N][Cr]24([n]5cc(c(c6c5c5[n]2cc(C)c(c5cc6)C)C)C)([n]2c5c6[n]4cc(c(c6ccc5c(c(c2)C)C)C)C)[N]#C1)(C#[N]3)(C#N)(C#N)C#N)(C#N)(C#N)C#N
• 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: 19.556 ± 0.007 Å
• b: 25.089 ± 0.008 Å
• c: 24.66 ± 0.008 Å
• α: 90°
• β: 97.151 ± 0.007°
• γ: 90°
• Cell volume: 12005 ± 7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1906
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2744
• Weighted residual factors for all reflections included in the refinement: 0.3
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No