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Information card for entry 7005189
Preview
Coordinates | 7005189.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 Cl9 N6 O4 Re2 |
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Calculated formula | C12 H12 Cl9 N6 O4 Re2 |
SMILES | [Re]12(Cl)(Cl)(Cl)[n]3n(ccc3)C(n3[n]1ccc3)n1[n]2ccc1.[Re](=O)(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
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 | 15.7338 ± 0.0002 Å |
b | 15.8808 ± 0.0002 Å |
c | 22.0122 ± 0.0003 Å |
α | 90° |
β | 106.552 ± 0.0007° |
γ | 90° |
Cell volume | 5272.18 ± 0.12 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 | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for all reflections | 0.0697 |
Weighted residual factors for significantly intense reflections | 0.0489 |
Weighted residual factors for all reflections included in the refinement | 0.0489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0792 |
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/7005189.html
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