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Information card for entry 7016566
Preview
| Coordinates | 7016566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H40 N6 O2 Pt |
|---|---|
| Calculated formula | C38 H40 N6 O2 Pt |
| SMILES | C#CC12CCC(CC1)(CC2)C#Cc1cc[nH+]cc1.C(#N)[Pt](C#N)(C#N)C#N.O.C#CC12CCC(CC1)(CC2)C#Cc1cc[nH+]cc1.O |
| Title of publication | Asymmetric addition of pyridine to 1,4-bis(ethynyl)bicyclo[2.2.2]octane: dissymmetrical rotator ligands illustrated in dpppPt(ii) and [Re(6)Se(8)](2+) complexes and an amphidynamic hydrogen bonded framework solid. |
| Authors of publication | Lemouchi, C.; Barrès, A-L; Mézière, C; Rondeau, D.; Zorina, L.; Wzietek, P.; Batail, P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 32 |
| Pages of publication | 8075 - 8078 |
| a | 13.5093 ± 0.0007 Å |
| b | 10.258 ± 0.0003 Å |
| c | 13.9549 ± 0.0006 Å |
| α | 90° |
| β | 109.925 ± 0.005° |
| γ | 90° |
| Cell volume | 1818.09 ± 0.15 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65. |
7016566.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016566.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016566.cif |
| 27460 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016566 via cif-deposit CGI script. |
7016566.cif |
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Users of the data should acknowledge the original authors of the
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