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Information card for entry 4108313
Preview
Coordinates | 4108313.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H118 B4 Cl4 O8 P4 Re2 |
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Calculated formula | C98 H118 B4 Cl4 O8 P4 Re2 |
SMILES | B1(CC[P](c2ccccc2)(c2ccccc2)[Re]2(C#[O])(C#[O])(C#[O])C=[O][B]3(CC[P](c4ccccc4)(c4ccccc4)[Re](C#[O])(C#[O])(C#[O])(C=[O][B]4(CC[P]2(c2ccccc2)c2ccccc2)C2CCCC4CCC2)[P](CCB2C4CCCC2CCC4)(c2ccccc2)c2ccccc2)C2CCCC3CCC2)C2CCCC1CCC2.C(Cl)Cl.C(Cl)Cl |
Title of publication | Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids |
Authors of publication | Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11874 - 11875 |
a | 11.2518 ± 0.0005 Å |
b | 13.3609 ± 0.0006 Å |
c | 16.3588 ± 0.0007 Å |
α | 88.406 ± 0.003° |
β | 74.156 ± 0.003° |
γ | 80.3 ± 0.003° |
Cell volume | 2331.6 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0521 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0668 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
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/4108313.html
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Users of the data should acknowledge the original authors of the
structural data.