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Information card for entry 4110848
Preview
| Coordinates | 4110848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C160 H200 O8 P8 Pt4 |
|---|---|
| Calculated formula | C160 H200 O8 P8 Pt4 |
| SMILES | [P](CC)(CC)(CC)[Pt]1(C#Cc2cc3c(cc2)c(c(OCC)cc3)c2c3ccc(cc3ccc2OCC)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2ccc3c(c2)ccc(OCC)c3c2c(OCC)ccc3c2ccc(C#C[Pt](C#Cc2cc4c(cc2)c(c(OCC)cc4)c2c4ccc(cc4ccc2OCC)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2ccc4c(c2)ccc(OCC)c4c2c(OCC)ccc4c2ccc(C#C1)c4)([P](CC)(CC)CC)[P](CC)(CC)CC)c3)[P](CC)(CC)CC |
| Title of publication | Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage |
| Authors of publication | Hua Jiang; Wenbin Lin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 11286 - 11297 |
| a | 36.603 ± 0.016 Å |
| b | 12.976 ± 0.006 Å |
| c | 25.145 ± 0.012 Å |
| α | 90° |
| β | 126.653 ± 0.009° |
| γ | 90° |
| Cell volume | 9581 ± 8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1915 |
| Residual factor for significantly intense reflections | 0.1402 |
| Weighted residual factors for significantly intense reflections | 0.3322 |
| Weighted residual factors for all reflections included in the refinement | 0.3578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178879 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/08. |
4110848.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110848.cif |
| 59700 | 2012-06-13 | cif/ Adding structures of 4110848 via cif-deposit CGI script. |
4110848.cif |
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Users of the data should acknowledge the original authors of the
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