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Information card for entry 7005191
Preview
Coordinates | 7005191.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 Cl4 N10 O3 Re2 |
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Calculated formula | C18 H22 Cl4 N10 O3 Re2 |
SMILES | c1ccn2Cn3ccc[n]3[Re]([n]12)(O[Re]1([n]2cccn2Cn2ccc[n]12)(=O)(Cl)Cl)(=O)(Cl)Cl.C(#N)C.C(#N)C |
Title of publication | Syntheses and structures of pyrazolylmethane complexes of rhenium(III), (IV) and (V). |
Authors of publication | Cowley, Andrew R.; Dilworth, Jonathan R.; Salichou, Maria |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 16 |
Pages of publication | 1621 - 1629 |
a | 15.2626 ± 0.0005 Å |
b | 10.7896 ± 0.0004 Å |
c | 8.54 ± 0.0003 Å |
α | 90° |
β | 95.1189 ± 0.0017° |
γ | 90° |
Cell volume | 1400.74 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis. |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.034 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for all reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.029 |
Weighted residual factors for all reflections included in the refinement | 0.029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0971 |
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/7005191.html
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