Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242965
Preview
| Coordinates | 2242965.cif |
|---|---|
| Structure factors | 2242965.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2^10^,2^20^-Bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate |
|---|---|
| Formula | C53 H36 Cl6 N4 Ni O4 |
| Calculated formula | C53 H36 Cl6 N4 Ni O4 |
| Title of publication | Crystal structure of 2^10^,2^20^-bis(2,6-dichlorophenyl)-4,7,12,15-tetraoxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cycloheptadecaphane-9-yne dichloromethane monosolvate |
| Authors of publication | Peters, Morten K.; Näther, Christian; Herges, Rainer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 925 - 929 |
| a | 15.4185 ± 0.0003 Å |
| b | 24.9658 ± 0.0004 Å |
| c | 24.3053 ± 0.0005 Å |
| α | 90° |
| β | 90.039 ± 0.002° |
| γ | 90° |
| Cell volume | 9356 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215652 (current) | 2019-06-01 | cif/ hkl/ Adding structures of 2242965 via cif-deposit CGI script. |
2242965.cif 2242965.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.