Information card for entry 7239532

Structure parameters

• Formula: C72 H128 Co2 N4 O44 Ti17
• Calculated formula: C72 H16 Co2 N4 O44 Ti17
• Title of publication: Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films
• Authors of publication: Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 34
• Pages of publication: 9862
• a: 15.8 ± 0.003 Å
• b: 27.683 ± 0.006 Å
• c: 25.877 ± 0.005 Å
• α: 90°
• β: 90.9 ± 0.03°
• γ: 90°
• Cell volume: 11317 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1899
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No