Information card for entry 4316325

Structure parameters

• Formula: C42 H116 Li2 Mn5 N6 Se9 Si6
• Calculated formula: C42 H116 Li2 Mn5 N6 Se9 Si6
• SMILES: C[Si](C)(C)[Se]([Li]12[N](C)(C)CC[N]2(C)C)[Mn]23[Se]([Si](C)(C)C)[Mn]4([Se]52[Mn]2([Se]([Si](C)(C)C)[Mn]5([Se]5[Si](C)(C)C)[Se]4[Mn]4([N](C)(C)CC[N]4(C)C)[Se]32)[Se]1[Si](C)(C)C)[Se]([Si](C)(C)C)[Li]15[N](C)(C)CC[N]1(C)C.CCCCCC
• 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: 16.6855 ± 0.0009 Å
• b: 18.39 ± 0.0009 Å
• c: 26.4291 ± 0.0015 Å
• α: 90°
• β: 91.341 ± 0.001°
• γ: 90°
• Cell volume: 8107.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No