Information card for entry 4325336

Structure parameters

• Formula: C79 H134 Ba K N7 Si6
• Calculated formula: C79 H134 Ba K N7 Si6
• SMILES: [Ba](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
• Title of publication: N-Heterocyclic Carbenes and Charge Separation in Heterometallic s-Block Silylamides
• Authors of publication: Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5234 - 5241
• a: 16.9015 ± 0.0001 Å
• b: 19.0122 ± 0.0002 Å
• c: 29.1601 ± 0.0003 Å
• α: 90°
• β: 97.577 ± 0.001°
• γ: 90°
• Cell volume: 9288.34 ± 0.15 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: 0.1178
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No