Information card for entry 4124169

Structure parameters

• Formula: C25 H68 Ce Cl N5 Si6
• Calculated formula: C25 H68 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(N1C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(C)C
• 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: 18.3829 ± 0.0008 Å
• b: 25.4115 ± 0.001 Å
• c: 8.7163 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4071.7 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No