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Information card for entry 7043449
Preview
Coordinates | 7043449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H9 Cl N3 O3 Re S3 |
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Calculated formula | C18 H9 Cl N3 O3 Re S3 |
SMILES | [Re]1([n]2ccsc2c2[n]1c(cc(c2)c1sccc1)c1nccs1)(Cl)(C#[O])(C#[O])C#[O] |
Title of publication | Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives |
Authors of publication | Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.6598 ± 0.0003 Å |
b | 16.1704 ± 0.0006 Å |
c | 20.9566 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3951.2 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0449 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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