Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4110095
Preview
| Coordinates | 4110095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 Cu P |
|---|---|
| Calculated formula | C28 H30 Cu P |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Cu]2345[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)C)C)C |
| Title of publication | Solid-State 63Cu and 65Cu NMR Spectroscopy of Inorganic and Organometallic Copper(I) Complexes |
| Authors of publication | Joel A. Tang; Bobby D. Ellis; Timothy H. Warren; John V. Hanna; Charles L. B. Macdonald; Robert W. Schurko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 13049 - 13065 |
| a | 18.795 ± 0.003 Å |
| b | 15.553 ± 0.003 Å |
| c | 17.69 ± 0.003 Å |
| α | 90° |
| β | 111.492 ± 0.002° |
| γ | 90° |
| Cell volume | 4811.6 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0945 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178871 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/00. |
4110095.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110095.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110095.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110095.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.