Information card for entry 4338670

Structure parameters

• Formula: C36 H108 Ce2 N12 Si12
• Calculated formula: C36 H108 Ce2 N12 Si12
• SMILES: C[Si](C)(N([Ce]([N]#N=N[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=N#N)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C
• 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: 18.515 ± 0.001 Å
• b: 18.515 ± 0.001 Å
• c: 16.7999 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4987.5 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0126
• Residual factor for significantly intense reflections: 0.0116
• Weighted residual factors for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No