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Information card for entry 7246141
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Coordinates | 7246141.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H26 Cd2 O11 |
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Calculated formula | C33 H26 Cd2 O11 |
Title of publication | On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation |
Authors of publication | Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 7 |
Pages of publication | 1058 - 1066 |
a | 27.4335 ± 0.0007 Å |
b | 18.9368 ± 0.0006 Å |
c | 12.766 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6632 ± 0.4 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.1674 |
Weighted residual factors for all reflections included in the refinement | 0.1821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246141.html
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structural data.