Information card for entry 4085286

Structure parameters

• Formula: C44 H70 K N2 O6 Si2 Y
• Calculated formula: C44 H70 K N2 O6 Si2 Y
• SMILES: [Y]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]%11c2c1cccc2.[K]1234567[O]8CC[O]1CC[N]16CC[O]3CC[O]2CC[N]7(CC8)CC[O]4CC[O]5CC1
• 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: 13.8897 ± 0.001 Å
• b: 14.0724 ± 0.001 Å
• c: 15.2067 ± 0.0011 Å
• α: 115.246 ± 0.0008°
• β: 100.83 ± 0.0009°
• γ: 97.844 ± 0.0009°
• Cell volume: 2560.8 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No