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Information card for entry 4064667
Preview
| Coordinates | 4064667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H41 F12 N5 O3 P2 Pt |
|---|---|
| Calculated formula | C36 H41 F12 N5 O3 P2 Pt |
| SMILES | [Pt]12(=C3N(C=CN3c3c(cc(cc3C)C)C)c3[n]2c(N2C=1N(c1c(cc(cc1C)C)C)C=C2)ccc3)C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.C(=O)(C)C |
| 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 | 32.657 ± 0.002 Å |
| b | 8.355 ± 0.0005 Å |
| c | 30.7767 ± 0.0019 Å |
| α | 90° |
| β | 90.571 ± 0.002° |
| γ | 90° |
| Cell volume | 8397 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| 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. |
4064667.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064667.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064667.cif |
| 32988 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064667, 4064668, 4064669 via cif-deposit CGI script. |
4064667.cif |
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Users of the data should acknowledge the original authors of the
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