Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015661
Preview
| Coordinates | 7015661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Fe N P |
|---|---|
| Calculated formula | C28 H24 Fe N P |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)Cc1ccccn1)P(c1ccccc1)c1ccccc1 |
| Title of publication | The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II). |
| Authors of publication | Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4722 - 4740 |
| a | 8.4956 ± 0.0011 Å |
| b | 10.9419 ± 0.0013 Å |
| c | 13.4071 ± 0.0015 Å |
| α | 67.813 ± 0.009° |
| β | 75.752 ± 0.009° |
| γ | 84.294 ± 0.01° |
| Cell volume | 1118.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (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 7/01/56. |
7015661.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015661.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015661.cif |
| 21216 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015660, 7015661, 7015662, 7015663, 7015664, 7015665, 7015666, 7015667, 7015668, 7015669, 7015670, 7015671, 7015672, 7015673, 7015674, 7015675, 7015676, 7015677, 7015678, 7015679, 7015680 via cif-deposit CGI script. |
7015661.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.