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Information card for entry 4078759
Preview
Coordinates | 4078759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 N2 O6 P Re S2 |
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Calculated formula | C32 H32 N2 O6 P Re S2 |
SMILES | [Re]1([S]=C(S1)N1CCC(CC1)C(=O)NCCC(=O)OC)(C#[O])(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | New Bioconjugated Rhenium Carbonyls by Transmetalation Reaction with Zinc Derivatives |
Authors of publication | Lecina, J.; Carrer, A.; Álvarez-Larena, A.; Mazzi, U.; Melendez-Alafort, L.; Suades, J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 16 |
Pages of publication | 5884 |
a | 21.3425 ± 0.0015 Å |
b | 10.2797 ± 0.0007 Å |
c | 31.001 ± 0.002 Å |
α | 90° |
β | 100.394 ± 0.002° |
γ | 90° |
Cell volume | 6689.8 ± 0.8 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1906 |
Residual factor for significantly intense reflections | 0.073 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
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/4078759.html
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