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Information card for entry 7716012
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Coordinates | 7716012.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 Cl N4 O3 Re |
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Calculated formula | C18 H14 Cl N4 O3 Re |
Title of publication | 1,2,3-triazol-5-ylidene- vs 1,2,3-triazole-based tricarbonylrhenium(I) complexes: Influence of a mesoionic carbene ligand on the electronic and biological properties |
Authors of publication | Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Beatrice; Abdallah, abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne |
Journal of publication | Dalton Transactions |
Year of publication | 2024 |
a | 13.0933 ± 0.0005 Å |
b | 8.7846 ± 0.0004 Å |
c | 15.9309 ± 0.0007 Å |
α | 90° |
β | 92.1447 ± 0.0017° |
γ | 90° |
Cell volume | 1831.08 ± 0.14 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
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 | 0.0168 |
Residual factor for significantly intense reflections | 0.0145 |
Weighted residual factors for significantly intense reflections | 0.0311 |
Weighted residual factors for all reflections included in the refinement | 0.0319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/7716012.html
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