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Information card for entry 7000145
Preview
Coordinates | 7000145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H20 B10 N O3 Re |
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Calculated formula | C8 H20 B10 N O3 Re |
SMILES | [Re]12345([C]678([BH]9%101[BH]1%116[BH]6%127[BH]728[BH]28%12[BH]%12%116[BH]6%101[BH]139[BH]472[BH]8%1261)[NH]5C(C)(C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes. |
Authors of publication | Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 22 |
Pages of publication | 3672 - 3680 |
a | 8.6239 ± 0.0007 Å |
b | 14.246 ± 0.002 Å |
c | 15.6634 ± 0.001 Å |
α | 73.562 ± 0.009° |
β | 78.594 ± 0.007° |
γ | 75.626 ± 0.01° |
Cell volume | 1771 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7000145.html
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Users of the data should acknowledge the original authors of the
structural data.