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Information card for entry 4106346
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| Coordinates | 4106346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [AuBr(dppe)]2.2(DMF) |
|---|---|
| Formula | C58 H62 Au2 Br2 N2 O2 P4 |
| Calculated formula | C58 H62 Au2 Br2 N2 O2 P4 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au]([P](CC[P](c2ccccc2)(c2ccccc2)[Au]([P](CC1)(c1ccccc1)c1ccccc1)Br)(c1ccccc1)c1ccccc1)Br.O=CN(C)C.N(C)(C)C=O |
| Title of publication | Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2 |
| Authors of publication | Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 10229 - 10238 |
| a | 11.0206 ± 0.001 Å |
| b | 11.6968 ± 0.0011 Å |
| c | 12.2211 ± 0.0011 Å |
| α | 103.357 ± 0.002° |
| β | 101.085 ± 0.002° |
| γ | 109.337 ± 0.002° |
| Cell volume | 1382.9 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178809 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63. |
4106346.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106346.cif |
| 53146 | 2012-04-18 | cif/ Adding structures of 4106346 via cif-deposit CGI script. |
4106346.cif |
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Users of the data should acknowledge the original authors of the
structural data.