Information card for entry 4085288

Structure parameters

• Formula: C48 H80 Ce K N2 O7 Si2
• Calculated formula: C48 H80 Ce K N2 O7 Si2
• SMILES: [Ce]123456789%10%11([cH]%12[cH]1[cH]2[cH]3[c]4%12[Si](C)(C)C)([cH]1[cH]5[cH]6[cH]7[c]81[Si](C)(C)C)[cH]1[cH]9[cH]%10[cH]%11c2ccccc12.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O(CC)CC
• Title of publication: Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl
• Authors of publication: Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2287
• a: 13.549 ± 0.002 Å
• b: 15.974 ± 0.003 Å
• c: 25.192 ± 0.004 Å
• α: 90°
• β: 96.954 ± 0.002°
• γ: 90°
• Cell volume: 5412.2 ± 1.6 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No