Information card for entry 4085290

Structure parameters

• Formula: C50 H88 K N2 O6 Si4 Y
• Calculated formula: C50 H88 K N2 O6 Si4 Y
• SMILES: [Y]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[c]4%13[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]%11[c]%121[Si](C)(C)C)C1C=CC(=C1)[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: 14.0555 ± 0.0007 Å
• b: 14.0598 ± 0.0007 Å
• c: 17.1532 ± 0.0008 Å
• α: 110.064 ± 0.0006°
• β: 104.683 ± 0.0006°
• γ: 105.265 ± 0.0006°
• Cell volume: 2842 ± 0.2 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No