Information card for entry 4127478

Structure parameters

• Formula: C50 H27 N4 O13 Ti3.5
• Calculated formula: C50 H27 N4 O13 Ti3.5
• Title of publication: Titanium-Based Nanoscale Metal-Organic Framework for Type I Photodynamic Therapy.
• Authors of publication: Lan, Guangxu; Ni, Kaiyuan; Veroneau, Samuel S.; Feng, Xuanyu; Nash, Geoffrey T.; Luo, Taokun; Xu, Ziwan; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4204 - 4208
• a: 16.496 ± 0.003 Å
• b: 16.181 ± 0.003 Å
• c: 34.167 ± 0.005 Å
• α: 90°
• β: 92.685 ± 0.002°
• γ: 90°
• Cell volume: 9110 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.1439
• Weighted residual factors for significantly intense reflections: 0.3692
• Weighted residual factors for all reflections included in the refinement: 0.3767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No