Information card for entry 7114004

Structure parameters

• Common name: [Yb{Me3SiNC(C6H4Ph)CHC(C6H4Ph)NSiMe3}2(Li(thf)}2].(Et2O)
• Formula: C78 H100 Li2 N4 O3 Si4 Yb
• Calculated formula: C78 H100 Li2 N4 O3 Si4 Yb
• SMILES: [Yb]12345678([N]9([Si](C)(C)C)[Li]([O]%10CCCC%10)[N]1([Si](C)(C)C)=[C]5([CH]2=[C]94c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[N]1([Si](C)(C)C)[Li]([O]2CCCC2)[N]3([Si](C)(C)C)=[C]8([CH]6=[C]17c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1.O(CC)CC
• Title of publication: Unusual crystalline heterobimetallic trinuclear β-diketiminates [Yb{L(µ-Li(thf)}2] and [Yb{L′(µ-Li(thf)}2]·thf [L, L′ = {N(SiMe3)C(R)}2CH, R = Ph, C6H4Ph-4]Electonic supplementary information (ESI) available: NOE data for 1 and NMR data for 2. See http://www.rsc.org/suppdata/cc/b2/b203321f/
• Authors of publication: Avent, Anthony G.; Khvostov, Alexei V.; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1410
• a: 15.4776 ± 0.0006 Å
• b: 16.1498 ± 0.0009 Å
• c: 17.3031 ± 0.001 Å
• α: 63.695 ± 0.002°
• β: 82.531 ± 0.003°
• γ: 84.167 ± 0.003°
• Cell volume: 3839.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No