Information card for entry 4320198

Structure parameters

• Formula: C42 H74 Co N2 S2
• Calculated formula: C42 H74 Co N2 S2
• SMILES: [Co]1(Sc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)(Sc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)[N](CC[N]1(C)C)(C)C
• Title of publication: Low-Valent Chemistry of Cobalt Amide. Synthesis and Structural Characterization of Cobalt(II) Amido, Aryloxide, and Thiolate Compounds
• Authors of publication: Hung Kay Lee; Chung Hei Lam; Song-Lin Li; Ze-Ying Zhang; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4691 - 4695
• a: 23.177 ± 0.005 Å
• b: 11.056 ± 0.002 Å
• c: 17.263 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4423.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No