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Information card for entry 4318443
Preview
Coordinates | 4318443.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H39 N3 O5 Re2 S3 |
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Calculated formula | C23 H39 N3 O5 Re2 S3 |
SMILES | [Re]12(SC(C3[N]1(CC(S3)(C)C)CCN2CC[NH+]1CCCC1)(C)C)(Sc1ccc(cc1)C)=O.[Re](=O)(=O)(=O)[O-] |
Title of publication | New Oxorhenium(V) Complexes from the Widely Used Diaminedithiol (DADT) Ligand System |
Authors of publication | Katerina Chryssou; Maria Pelecanou; Ioannis C. Pirmettis; Minas S. Papadopoulos; Catherine Raptopoulou; Aris Terzis; Efstratios Chiotellis; Chariklia I. Stassinopoulou |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 4653 - 4663 |
a | 9.387 ± 0.005 Å |
b | 11.306 ± 0.005 Å |
c | 14.04 ± 0.006 Å |
α | 84.51 ± 0.01° |
β | 84.45 ± 0.02° |
γ | 87.17 ± 0.01° |
Cell volume | 1475.1 ± 1.2 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.035 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for all reflections | 0.0834 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Goodness-of-fit parameter for all reflections | 1.061 |
Goodness-of-fit parameter for significantly intense reflections | 1.074 |
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/4318443.html
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