Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069364
Preview
| Coordinates | 4069364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H58 Cl8 N6 O14 P2 Pt2 |
|---|---|
| Calculated formula | C66 H58 Cl8 N6 O14 P2 Pt2 |
| SMILES | [Pt]1([n]2c(c3[n]1cccc3)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O.[Pt](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes |
| Authors of publication | Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 12 |
| Pages of publication | 3501 |
| a | 10.3837 ± 0.0006 Å |
| b | 14.7111 ± 0.0008 Å |
| c | 23.2619 ± 0.0012 Å |
| α | 90° |
| β | 94.9 ± 0.004° |
| γ | 90° |
| Cell volume | 3540.4 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178582 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/93. |
4069364.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069364.cif |
| 40263 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069353, 4069354, 4069355, 4069356, 4069357, 4069358, 4069359, 4069360, 4069361, 4069362, 4069363, 4069364, 4069365, 4069366, 4069367, 4069368 via cif-deposit CGI script. |
4069364.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.