Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064669
Preview
| Coordinates | 4064669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 F6 N5 O2 P Pt |
|---|---|
| Calculated formula | C30 H30 F6 N5 O2 P Pt |
| SMILES | [Pt]12([n]3c(N4C=2N(C=C4)c2c(C)cc(cc2C)C)cccc3N2C=1N(C=C2)c1c(cc(cc1C)C)C)C(=O)O.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand |
| Authors of publication | Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 14 |
| Pages of publication | 3897 |
| a | 28.281 ± 0.017 Å |
| b | 14.886 ± 0.011 Å |
| c | 30.24 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12731 ± 15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1648 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178540 (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 4/06/46. |
4064669.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064669.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064669.cif |
| 32988 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064667, 4064668, 4064669 via cif-deposit CGI script. |
4064669.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.