Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029230
Preview
| Coordinates | 7029230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H61 P2 |
|---|---|
| Calculated formula | C47 H61 P2 |
| Title of publication | Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds. |
| Authors of publication | Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 267 - 276 |
| a | 33.518 ± 0.003 Å |
| b | 15.0365 ± 0.0013 Å |
| c | 16.5961 ± 0.0015 Å |
| α | 90° |
| β | 97.155 ± 0.001° |
| γ | 90° |
| Cell volume | 8299.2 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0967 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029230.cif |
| 179998 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029230.cif |
| 105549 | 2014-03-12 | cif/ Adding structures of 7029228, 7029229, 7029230, 7029231, 7029232 via cif-deposit CGI script. |
7029230.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.