Information card for entry 4316318

Structure parameters

• Formula: C24 H64 Li4 Mn N8 Se12
• Calculated formula: C24 H64 Li4 Mn N8 Se12
• SMILES: [Mn]12345[Se]67[Se][Se]8[Se]91[Li]168([Se]62[Se]2[Se][Se]83[Li]362([Se]25[Se]([Se][Se]4[Li]489[N](C)(C)CC[N]4(C)C)[Li]472[N](C)(C)CC[N]4(C)C)[N](C)(C)CC[N]3(C)C)[N](C)(CC[N]1(C)C)C
• Title of publication: Trimethylsilylchalcogenolates of Co(II) and Mn(II): From Mononuclear Coordination Complexes to Clusters Containing -ESiMe3 Moieties (E = S, Se)
• Authors of publication: Chhatra B. Khadka; Daniel G. Macdonald; Yanhua Lan; Annie K. Powell; Dieter Fenske; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7289 - 7297
• a: 18.8776 ± 0.0008 Å
• b: 14.5127 ± 0.0004 Å
• c: 19.4562 ± 0.0008 Å
• α: 90°
• β: 108.08 ± 0.002°
• γ: 90°
• Cell volume: 5067.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No