Information card for entry 4069299

Structure parameters

• Formula: C60 H64 N8 Yb2
• Calculated formula: C60 H64 N8 Yb2
• SMILES: [Yb]123456789([N]#Cc%10c(cc(c(c%10)C#N)C#[N][Yb]%10%11%12%13%14%15%16%17([N]#Cc%18c(cc(c(c%18)C#N)C#[N]9)C#N)([c]9([c]%10([c]%11([c]%12([c]%139C)C)C)C)C)[c]9([c]%14([c]%15([c]%16([c]%179C)C)C)C)C)C#N)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Reactions of Cp*2Yb(THF)2with TCNQ and TCNB. A Novel Type of Reactivity of TCNQ toward Metallocenes. The First Example of the π-Dimer [TCNB2]2−
• Authors of publication: Trifonov, Alexander A.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Cherkasov, Anton V.; Larionova, Julia
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3421
• a: 15.6301 ± 0.0009 Å
• b: 10.3712 ± 0.0005 Å
• c: 32.5798 ± 0.0016 Å
• α: 90°
• β: 95.794 ± 0.001°
• γ: 90°
• Cell volume: 5254.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No