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Information card for entry 4077442
Preview
Coordinates | 4077442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H68 Sm2 |
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Calculated formula | C45 H68 Sm2 |
SMILES | [Sm]123456789([c]%10([c]1([c]2([c]3([c]4%10C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)[CH2]1[Sm]2345678%10%11%12([c]%13([c]5([c]4([c]3([c]2%13C)C)C)C)C)([c]2([c]6([c]7([c]8([c]%102C)C)C)C)C)[CH]91[C]%11(=[CH2]%12)C |
Title of publication | Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene |
Authors of publication | Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W. |
Journal of publication | Organometallics |
Year of publication | 2001 |
Journal volume | 20 |
Journal issue | 26 |
Pages of publication | 5648 |
a | 18.8904 ± 0.0017 Å |
b | 18.4966 ± 0.0017 Å |
c | 23.594 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8243.9 ± 1.3 Å3 |
Cell temperature | 158 ± 2 K |
Ambient diffraction temperature | 158 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0866 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/4077442.html
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Users of the data should acknowledge the original authors of the
structural data.