Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7234201
Preview
| Coordinates | 7234201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (5-(rac-4-[2.2]paracyclophanyl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II) |
|---|---|
| Chemical name | (5-(4-(1,4(1,4)-dibenzenacyclohexaphane-1^2^-yl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II) |
| Formula | C60 H42 Cu N4 |
| Calculated formula | C60 H42 Cu N4 |
| Title of publication | Synthesis and characterization of rigid [2.2]paracyclophane‒porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes |
| Authors of publication | Knoll, Daniel M.; Wiesner, Thomas B.; Marschner, Stefan M.; Hassan, Zahid; Weis, Patrick; Kappes, Manfred; Nieger, Martin; Bräse, Stefan |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 52 |
| Pages of publication | 30541 |
| a | 18.4877 ± 0.0004 Å |
| b | 12.195 ± 0.0003 Å |
| c | 18.7238 ± 0.0005 Å |
| α | 90° |
| β | 91.773 ± 0.002° |
| γ | 90° |
| Cell volume | 4219.4 ± 0.18 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0925 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218883 (current) | 2019-09-27 | cif/ Adding structures of 7234201 via cif-deposit CGI script. |
7234201.cif |
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.