Information card for entry 7044761

Structure parameters

• Formula: C31 H49 Li2 N3 O2 Si2
• Calculated formula: C31 H49 Li2 N3 O2 Si2
• SMILES: [Li]1([N]2([Si](C)(C)C)[Li]([N]1(c1cccc3cccc2c13)[Si](C)(C)C)[O](CC)CC)([N]#Cc1ccccc1)[O](CC)CC
• Title of publication: Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.
• Authors of publication: Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 438 - 451
• a: 10.3401 ± 0.0005 Å
• b: 22.3949 ± 0.0011 Å
• c: 14.6499 ± 0.0007 Å
• α: 90°
• β: 92.454 ± 0.001°
• γ: 90°
• Cell volume: 3389.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No