Information card for entry 4124170

Structure parameters

• Formula: C31 H76 Ce Cl N5 Si6
• Calculated formula: C31 H76 Ce Cl N5 Si6
• SMILES: [Ce]1(Cl)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N](=C(N1C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1
• Title of publication: Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.
• Authors of publication: Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 29
• Pages of publication: 9234 - 9237
• a: 9.3555 ± 0.0013 Å
• b: 23.472 ± 0.003 Å
• c: 20.797 ± 0.003 Å
• α: 90°
• β: 97.552 ± 0.006°
• γ: 90°
• Cell volume: 4527.2 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No