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Information card for entry 4069299
Preview
Coordinates | 4069299.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069299.html
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Users of the data should acknowledge the original authors of the
structural data.