Information card for entry 4316326

Structure parameters

• Formula: C36 H100 Li4 Mn4 N8 Se8 Si4
• Calculated formula: C36 H100 Li4 Mn4 N8 Se8 Si4
• SMILES: [Mn]123[Se]4([Li]5([Se]6[Si](C)(C)C)[N](C)(C)CC[N]5(C)C)[Mn]56[Se]([Li]6([Se]7[Si](C)(C)C)[N](C)(C)CC[N]6(C)C)([Mn]46[Se]14[Li]1([Se]6[Si](C)(C)C)[N](CC[N]1(C)C)(C)C)[Mn]47[Se]35[Li]1([Se]2[Si](C)(C)C)[N](C)(C)CC[N]1(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: 12.1008 ± 0.0003 Å
• b: 14.1392 ± 0.0004 Å
• c: 22.2136 ± 0.0006 Å
• α: 99.701 ± 0.001°
• β: 90.315 ± 0.002°
• γ: 104.171 ± 0.001°
• Cell volume: 3627.95 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No