Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071704
Preview
| Coordinates | 4071704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H30 Br2 Cl2 N4 O2 Pt |
|---|---|
| Calculated formula | C23 H30 Br2 Cl2 N4 O2 Pt |
| SMILES | [Pt]1(Br)(Br)([n]2c3c(n(c2)CCOCCOCCn2c[n]1c1c2cccc1)cccc3)(C)C.ClCCl |
| Title of publication | Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation |
| Authors of publication | Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4917 |
| a | 9.999 ± 0.0004 Å |
| b | 10.9524 ± 0.0003 Å |
| c | 13.0425 ± 0.0011 Å |
| α | 86.17° |
| β | 67.837 ± 0.003° |
| γ | 84.563 ± 0.003° |
| Cell volume | 1316.09 ± 0.13 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0167 |
| Weighted residual factors for significantly intense reflections | 0.0373 |
| Weighted residual factors for all reflections included in the refinement | 0.039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17. |
4071704.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071704.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071704.cif |
| 43987 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071699, 4071700, 4071701, 4071702, 4071703, 4071704 via cif-deposit CGI script. |
4071704.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.