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Information card for entry 4077444
Preview
Coordinates | 4077444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56.5 H76 Sm2 |
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Calculated formula | C56.5 H76 Sm2 |
SMILES | [Sm]12345678([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)C(c1ccccc1)=C([Sm]12345678([c]%10([c]2([c]3([c]4([c]1%10C)C)C)C)C)[c]2([c]5([c]8([c]7([c]62C)C)C)C)C)c1ccccc1.CCCCC |
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 | 23.3208 ± 0.0007 Å |
b | 19.8008 ± 0.0006 Å |
c | 42.9886 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 19850.9 ± 1 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 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 | 0.0649 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/4077444.html
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Users of the data should acknowledge the original authors of the
structural data.