Information card for entry 4348163

Structure parameters

• Common name: Ti(DOBDC)(cat)(DEAH)2
• 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 ų
• 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