Information card for entry 4338671

Structure parameters

• Formula: C19 H54 Ce N4 S Si6
• Calculated formula: C19 H54 Ce N4 S Si6
• SMILES: [Ce](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)N=C=S
• Title of publication: Synthesis and Analysis of a Family of Cerium(IV) Halide and Pseudohalide Compounds.
• Authors of publication: Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6338 - 6345
• a: 17.6275 ± 0.0011 Å
• b: 12.3266 ± 0.0008 Å
• c: 16.4282 ± 0.001 Å
• α: 90°
• β: 96.261 ± 0.003°
• γ: 90°
• Cell volume: 3548.3 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No