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Information card for entry 4516790
Preview
Coordinates | 4516790.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H72 N8 O44 Ti8 Zr2 |
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Calculated formula | C48 H72 N8 O44 Ti8 Zr2 |
Title of publication | [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. |
Authors of publication | Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai |
Journal of publication | ACS central science |
Year of publication | 2018 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | 105 - 111 |
a | 24.26 ± 0.004 Å |
b | 24.26 ± 0.004 Å |
c | 24.26 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 14278 ± 4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.0519 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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