Information card for entry 4307308

Structure parameters

• Formula: C108 H96 Co2 Mn3 N24
• Calculated formula: C108 H96 Co2 Mn3 N24
• SMILES: [Co]12(C#N)(C#[N][Mn]34([n]5c6c7[n]3cc(c(c7ccc6c(c(c5)C)C)C)C)([N]#C[Co](C#[N][Mn]35([n]6cc(c(c7c6c6[n]5cc(c(c6cc7)C)C)C)C)([n]5c6c(c(c(c5)C)C)ccc5c6[n]3cc(c5C)C)[N]#C1)(C#[N][Mn]13([n]5c6c7[n]1cc(c(c7ccc6c(c(c5)C)C)C)C)([n]1cc(c(c5c1c1[n]3cc(c(c1cc5)C)C)C)C)[N]#C2)(C#N)(C#N)C#N)[n]1cc(c(c2c1c1[n]4cc(c(c1cc2)C)C)C)C)(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: 19.4485 ± 0.0018 Å
• b: 25.589 ± 0.002 Å
• c: 25.047 ± 0.002 Å
• α: 90°
• β: 98.153 ± 0.002°
• γ: 90°
• Cell volume: 12339.1 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No