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Information card for entry 7101110
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7101110.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H22 N2 O5 P Re |
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Calculated formula | C31 H22 N2 O5 P Re |
SMILES | [Re]12([P](C=C(C(=O)OC)C3N1c1c(C=C3)ccc3c1[n]2ccc3)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O] |
Title of publication | Activation of a 1,10-phenanthroline ligand on a rhenium tricarbonyl complex |
Authors of publication | Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Víctor; Rodríguez, Elena; Miguel, Daniel |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2005 |
Journal issue | 1 |
Pages of publication | 116 - 117 |
a | 9.844 ± 0.003 Å |
b | 11.3 ± 0.004 Å |
c | 13.009 ± 0.005 Å |
α | 86.592 ± 0.007° |
β | 71.976 ± 0.006° |
γ | 82.823 ± 0.007° |
Cell volume | 1365 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0371 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/7101110.html
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Users of the data should acknowledge the original authors of the
structural data.