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Information card for entry 1570464
Preview
| Coordinates | 1570464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C368 H428 N4 Na2 O70 Ti16 |
|---|---|
| Calculated formula | C368 H428 N4 Na2 O70 Ti16 |
| Title of publication | Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. |
| Authors of publication | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 48 |
| Pages of publication | 14280 - 14289 |
| a | 38.447 ± 0.002 Å |
| b | 32.9077 ± 0.0017 Å |
| c | 37.172 ± 0.002 Å |
| α | 90° |
| β | 114.933 ± 0.002° |
| γ | 90° |
| Cell volume | 42647 ± 4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1047 |
| Residual factor for significantly intense reflections | 0.0904 |
| Weighted residual factors for significantly intense reflections | 0.2599 |
| Weighted residual factors for all reflections included in the refinement | 0.2706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288764 (current) | 2024-01-06 | cif/ Updating files of 1570454, 1570455, 1570456, 1570457, 1570458, 1570459, 1570460, 1570461, 1570462, 1570463, 1570464, 1570465, 1570466, 1570467, 1570468, 1570469 Original log message: Adding full bibliography for 1570454--1570469.cif. |
1570464.cif |
| 287910 | 2023-12-01 | cif/ Adding structures of 1570454, 1570455, 1570456, 1570457, 1570458, 1570459, 1570460, 1570461, 1570462, 1570463, 1570464, 1570465, 1570466, 1570467, 1570468, 1570469 via cif-deposit CGI script. |
1570464.cif |
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Users of the data should acknowledge the original authors of the
structural data.