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Information card for entry 4329649
Preview
| Coordinates | 4329649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C111 H120 Au8 F18 O7 P7 |
|---|---|
| Calculated formula | C111 H120 Au8 F18 O7 P7 |
| SMILES | c1(ccccc1)[P]1([Au]23[Au]4567[Au]([P](c8ccc([P]([Au]9[Au]%10%11([Au]%12([P](c%13ccccc%13)(c%13ccccc%13)c%13ccc1cc%13)[C]9#[C]%12C1(O)CCCCC1)([Au]195([C]7#[C]1C1(O)CCCCC1)[C](C1(O)CCCCC1)#[C]%119)[Au]156([C]4#[C]5C4(O)CCCCC4)[C]%10#[C]1C1(O)CCCCC1)(c1ccccc1)c1ccccc1)cc8)(c1ccccc1)c1ccccc1)[C]2#[C]3C1(O)CCCCC1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives |
| Authors of publication | Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 7392 - 7403 |
| a | 13.8514 ± 0.0005 Å |
| b | 16.7051 ± 0.0006 Å |
| c | 29.317 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6783.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 17 |
| Hermann-Mauguin space group symbol | P 2 2 21 |
| Hall space group symbol | P 2c 2 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179399 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96. |
4329649.cif |
| 78706 | 2013-04-02 | cif/ Adding structures of 4329649 via cif-deposit CGI script. |
4329649.cif |
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Users of the data should acknowledge the original authors of the
structural data.