Information card for entry 4102253

Structure parameters

• Common name: Co(CNArMes2)4
• Formula: C108 H120 Co N4 O4
• Calculated formula: C108 H120 Co N4 O4
• SMILES: C(#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[Co](C#[N]c1c(cccc1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)(C#[N]c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(C)cc1C)C)C#[N]c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(C)cc1C)C.O(C)CCOC.O(C)CCOC
• Title of publication: Isocyano Analogues of [Co(CO)4]n: A Tetraisocyanide of Cobalt Isolated in Three States of Charge
• Authors of publication: Grant W. Margulieux; Nils Weidemann; David C. Lacy; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5033 - 5035
• a: 29.8149 ± 0.0016 Å
• b: 11.9653 ± 0.0006 Å
• c: 27.7566 ± 0.0015 Å
• α: 90°
• β: 111.712 ± 0.004°
• γ: 90°
• Cell volume: 9199.5 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No