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Information card for entry 4348163
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Coordinates | 4348163.cif |
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Original paper (by DOI) | HTML |
Common name | Ti(DOBDC)(cat)(DEAH)2 |
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Formula | C88 H120 N8 O32 Ti4 |
Calculated formula | C88 H120 N8 O32 Ti4 |
Title of publication | Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers. |
Authors of publication | Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 15 |
Pages of publication | 7192 - 7199 |
a | 13.3677 ± 0.0008 Å |
b | 16.8635 ± 0.0012 Å |
c | 10.7622 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2426.1 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1836 |
Weighted residual factors for all reflections included in the refinement | 0.1987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.66762 Å |
Diffraction radiation type | synchrotron |
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/4348163.html
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Users of the data should acknowledge the original authors of the
structural data.