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Information card for entry 1575056
Preview
Coordinates | 1575056.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 Cl3 N4 O3 Re |
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Calculated formula | C18 H14 Cl3 N4 O3 Re |
Title of publication | Influence of Ligand Isomerism on the Photophysical Properties of AIPE-Active Rhenium(I) Complexes: Investigations with a 2-(1,2,3-Triazol-1-yl)pyridine (Tapy)-Based Complex and Its Triazolylidene Derivatives |
Authors of publication | Abdallah, Abanoub Mosaad; Wolff, Mariusz; Leygue, Nadine; Deleuzière, Maëlle; Saffon-Merceron, Nathalie; Serpentini, Charles-Louis; Benoist, Eric; Fery-Forgues, Suzanne |
Journal of publication | Molecules |
Year of publication | 2025 |
Journal volume | 30 |
Journal issue | 13 |
Pages of publication | 2776 |
a | 7.9671 ± 0.0004 Å |
b | 11.1386 ± 0.0006 Å |
c | 12.6625 ± 0.0007 Å |
α | 89.6778 ± 0.0016° |
β | 79.3892 ± 0.0014° |
γ | 75.9949 ± 0.0014° |
Cell volume | 1070.76 ± 0.1 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 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 | 0.0169 |
Residual factor for significantly intense reflections | 0.0151 |
Weighted residual factors for significantly intense reflections | 0.0346 |
Weighted residual factors for all reflections included in the refinement | 0.0354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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301197 (current) | 2025-07-07 | cif/ Adding structures of 1575055, 1575056, 1575057, 1575058 via cif-deposit CGI script. |
1575056.cif |
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Users of the data should acknowledge the original authors of the
structural data.