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Information card for entry 4518504
Preview
| Coordinates | 4518504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H86 Cl Ir3 N12 Ni6 O32 |
|---|---|
| Calculated formula | C144 H85.9992 Cl1.0002 Ir3 N12 Ni6 O32 |
| Title of publication | Ir-Porphyrin-Based Metal-Organic Framework as a Dual Metallo- and Photocatalyst for Inert Alkyl C(sp<sup>3</sup>)<b>-</b>H Bond Activation and Direct Functionalization. |
| Authors of publication | Wang, Yefei; Zhou, Zhen; Zhao, Liang; He, Cheng; Sun, Wenlong; Duan, Chunying |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| a | 31.7187 ± 0.0008 Å |
| b | 31.7187 ± 0.0008 Å |
| c | 16.8606 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14690.4 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.0965 |
| Weighted residual factors for significantly intense reflections | 0.2792 |
| Weighted residual factors for all reflections included in the refinement | 0.2953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262237 (current) | 2021-02-26 | cif/ Adding structures of 4518504 via cif-deposit CGI script. |
4518504.cif |
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