Information card for entry 4325331

Structure parameters

• Formula: C308.5 H530.5 Ca4 Li4 N28 Si24
• Calculated formula: C308.5 H530.5 Ca4 Li4 N28 Si24
• 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: 17.7709 ± 0.0002 Å
• b: 22.5526 ± 0.0003 Å
• c: 23.9297 ± 0.0003 Å
• α: 71 ± 0.001°
• β: 81.627 ± 0.001°
• γ: 85.231 ± 0.001°
• Cell volume: 8964.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No