Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132521
Preview
| Coordinates | 4132521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H72 P4 Ru Si2 |
|---|---|
| Calculated formula | C80 H72 P4 Ru Si2 |
| Title of publication | "Doping" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire. |
| Authors of publication | Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 32 |
| Pages of publication | 10080 - 10084 |
| a | 26.639 ± 0.005 Å |
| b | 10.0264 ± 0.0017 Å |
| c | 25.445 ± 0.004 Å |
| α | 90° |
| β | 97.375 ± 0.002° |
| γ | 90° |
| Cell volume | 6740 ± 2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1291 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.1996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242491 (current) | 2019-11-26 | cif/ Adding structures of 4132521 via cif-deposit CGI script. |
4132521.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.