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Information card for entry 7013968
Preview
| Coordinates | 7013968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 Au2 Br2 N8 O2 |
|---|---|
| Calculated formula | C44 H44 Au2 Br2 N8 O2 |
| SMILES | [Au]1=C2N3Cc4cc(CN5C(N(Cc6cc(CN2C=C3)ccc6)C=C5)=[Au]=C2N3Cc5cc(CN6C=1N(Cc1cc(CN2C=C3)ccc1)C=C6)ccc5)ccc4.[Br-].O.[Br-].O |
| Title of publication | Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation. |
| Authors of publication | Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 7 |
| Pages of publication | 1038 - 1047 |
| a | 8.6625 ± 0.0006 Å |
| b | 10.4771 ± 0.0008 Å |
| c | 11.73 ± 0.0008 Å |
| α | 100.856 ± 0.002° |
| β | 91.948 ± 0.002° |
| γ | 84.965 ± 0.002° |
| Cell volume | 1041.34 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections | 1.023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7013968.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013968.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013968.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013968.cif |
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Users of the data should acknowledge the original authors of the
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