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Information card for entry 7023067
Preview
Coordinates | 7023067.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H26 Cl2 N2 O4 P Re |
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Calculated formula | C31 H26 Cl2 N2 O4 P Re |
SMILES | [Re]1(=O)(OC(=O)c2[n]1c1ccccc1c(OC)c2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.CC#N |
Title of publication | Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions. |
Authors of publication | Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 24 |
Pages of publication | 8827 - 8837 |
a | 9.839 ± 0.0006 Å |
b | 10.6857 ± 0.0008 Å |
c | 30.1868 ± 0.0013 Å |
α | 95.667 ± 0.004° |
β | 90.406 ± 0.004° |
γ | 106.382 ± 0.006° |
Cell volume | 3028 ± 0.3 Å3 |
Cell temperature | 295 ± 0.2 K |
Ambient diffraction temperature | 295 ± 0.2 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 | 0.0751 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1406 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7023067.html
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