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Information card for entry 1564095
Preview
Coordinates | 1564095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H44 As2 Cl N3 O Ru S |
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Calculated formula | C61 H44 As2 Cl N3 O Ru S |
SMILES | [Ru]1([N](N=C2Sc3c(N12)cccc3)=Cc1c2c3c4c(ccc3cc1)cccc4cc2)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C#[O] |
Title of publication | Ru(II) complexes containing (2-(pyren-1-ylmethylene)hydrazinyl)benzothiazole: Synthesis, solid-state structure, computational study and catalysis in N-alkylation reactions |
Authors of publication | Murugan, Kaliyappan; Vijayapritha, Subbarayan; Viswanathamurthi, Periasamy; Saravanan, Kandasamy; Vijayan, Paranthaman; Ojwach, Stephen O. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 512 |
Pages of publication | 119864 |
a | 11.7685 ± 0.0006 Å |
b | 38.622 ± 0.002 Å |
c | 12.0399 ± 0.0006 Å |
α | 90° |
β | 90.98 ± 0.003° |
γ | 90° |
Cell volume | 5471.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1849 |
Residual factor for significantly intense reflections | 0.1103 |
Weighted residual factors for significantly intense reflections | 0.2706 |
Weighted residual factors for all reflections included in the refinement | 0.3109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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