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Information card for entry 8107338
Preview
| Coordinates | 8107338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H90 Cl18 N12 Nd |
|---|---|
| Calculated formula | C114 H90 Cl18 N12 Nd |
| Title of publication | The crystal structure of 5,10,15,20-tetrakis(4-(tert-butyl)phenyl)porphyrin-21,23-diido-κ4 N 4-naphthalocyanido-κ4 N 4-neodymium(IV) - chloroform (1/6) C114H90N12Cl18Nd |
| Authors of publication | Liguo, Yang; Xin, Wang; Jiaqi, Fu; Xinyu, Ji |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 9 - 12 |
| a | 17.3389 ± 0.0007 Å |
| b | 18.7671 ± 0.0005 Å |
| c | 19.1454 ± 0.0008 Å |
| α | 79.6 ± 0.003° |
| β | 68.752 ± 0.004° |
| γ | 68.572 ± 0.003° |
| Cell volume | 5396.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284441 (current) | 2023-06-12 | cif/ Adding structures of 8107338 via cif-deposit CGI script. |
8107338.cif |
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Users of the data should acknowledge the original authors of the
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