Information card for entry 7013860

Structure parameters

• Formula: C16 H15 Br0.2 Cl0.8 Li N3 Si
• Calculated formula: C16 H15 Br0.2 Cl0.8 Li N3 Si
• Title of publication: The first example of a Si-bridged tris(pyridyl) ligand; synthesis and structure of [MeSi(2-C5H4N)3LiX](X = 0.2Br, 0.8Cl).
• Authors of publication: García, Felipe; Hopkins, Alexander D.; Humphrey, Simon M.; McPartlin, Mary; Rogers, Michael C.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 361 - 362
• a: 15.9893 ± 0.0006 Å
• b: 12.8602 ± 0.0004 Å
• c: 8.4619 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1739.98 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No