Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708312
Preview
| Coordinates | 7708312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H81 As P12 |
|---|---|
| Calculated formula | C36 H81 As P12 |
| SMILES | [As](P1P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C)(P1P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C)P1P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes |
| Authors of publication | Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 13.834 ± 0.0002 Å |
| b | 23.4873 ± 0.0002 Å |
| c | 16.4233 ± 0.0002 Å |
| α | 90° |
| β | 101.098 ± 0.001° |
| γ | 90° |
| Cell volume | 5236.52 ± 0.11 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0678 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269192 (current) | 2021-09-18 | cif/ Adding structures of 7708306, 7708307, 7708308, 7708309, 7708310, 7708311, 7708312 via cif-deposit CGI script. |
7708312.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.