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Information card for entry 4331534
Preview
| Coordinates | 4331534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H103 N3 O6 P4 Pt2 |
|---|---|
| Calculated formula | C66 H103 N3 O6 P4 Pt2 |
| SMILES | Cc1ccccc1.[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(ON(=O)=O)c1cc2c(cc1)CCc1c2nc2c(c1c1cc(cc(C(C)(C)C)c1)C(C)(C)C)CCc1c2cc([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)ON(=O)=O)cc1 |
| Title of publication | Self-Assembly of Rectangles and Prisms via a Molecular "Clip" |
| Authors of publication | Kim, Duckhyun; Paek, Jong Hyub; Jun, Moo-Jin; Lee, Jin Yong; Kang, Sang Ook; Ko, Jaejung |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 22 |
| Pages of publication | 7886 - 7894 |
| a | 14.922 ± 0.002 Å |
| b | 27.176 ± 0.004 Å |
| c | 28 ± 0.004 Å |
| α | 85.828 ± 0.003° |
| β | 76.42 ± 0.003° |
| γ | 76.017 ± 0.003° |
| Cell volume | 10709 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.272 |
| Residual factor for significantly intense reflections | 0.0963 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.2623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4309860 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210301 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4309860, 4331534. Marking entry 4331534 as a duplicate of entry 4309860. |
4331534.cif |
| 179418 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15. |
4331534.cif |
| 158274 | 2015-09-24 | cif/4 Fixing wrong Z values and formulae |
4331534.cif |
| 97690 | 2014-01-29 | cif/ Adding structures of 4331534 via cif-deposit CGI script. |
4331534.cif |
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Users of the data should acknowledge the original authors of the
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