Information card for entry 7216779

Structure parameters

• Formula: C72 H128 Fe2 N4 O44 Ti17
• Calculated formula: C72 H128 Fe2 N4 O44 Ti17
• Title of publication: Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles.
• Authors of publication: Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 15792 - 15795
• a: 15.5703 ± 0.0004 Å
• b: 26.9767 ± 0.0007 Å
• c: 25.2494 ± 0.0007 Å
• α: 90°
• β: 96.332 ± 0.001°
• γ: 90°
• Cell volume: 10540.9 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for significantly intense reflections: 2.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No