Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016571
Preview
| Coordinates | 7016571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {[(dippe)Ni(CO)]2(mu-dippe)} |
|---|---|
| Formula | C44 H96 Ni2 O2 P6 |
| Calculated formula | C44 H96 Ni2 O2 P6 |
| SMILES | CC(C)[P]1(C(C)C)CC[P]([Ni]1([P](C(C)C)(C(C)C)CC[P](C(C)C)(C(C)C)[Ni]1([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)C#[O])C#[O])(C(C)C)C(C)C |
| Title of publication | Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions. |
| Authors of publication | González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 36 |
| Pages of publication | 9116 - 9122 |
| a | 8.722 ± 0.0006 Å |
| b | 11.5158 ± 0.0008 Å |
| c | 14.3744 ± 0.001 Å |
| α | 102.32 ± 0.006° |
| β | 91.092 ± 0.006° |
| γ | 112.112 ± 0.007° |
| Cell volume | 1298.88 ± 0.18 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65. |
7016571.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016571.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016571.cif |
| 27462 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016571, 7016572 via cif-deposit CGI script. |
7016571.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.