Information card for entry 4085291

Structure parameters

• Formula: C50 H88 K La N2 O6 Si4
• Calculated formula: C50 H88 K La N2 O6 Si4
• SMILES: [La]123456789%10%11%12%13%14%15%16([cH]%17[cH]1[cH]2[cH]3[c]%13%17[Si](C)(C)C)([cH]1[cH]4[cH]5[cH]6[c]%141[Si](C)(C)C)([cH]1[cH]7[cH]8[cH]9[c]1%15[Si](C)(C)C)[cH]1[cH]%10[cH]%11[cH]%12[c]1%16[Si](C)(C)C.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• 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: 15.6762 ± 0.001 Å
• b: 19.4638 ± 0.0013 Å
• c: 20.4049 ± 0.0013 Å
• α: 90°
• β: 110.328 ± 0.0008°
• γ: 90°
• Cell volume: 5838.1 ± 0.7 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: 0.0391
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No