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Information card for entry 4309211
Preview
| Coordinates | 4309211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Au3[CH3(CH2)4N=COCH3]3 |
|---|---|
| Formula | C21 H42 Au3 N3 O3 |
| Calculated formula | C21 H42 Au3 N3 O3 |
| SMILES | [Au]1[N](=C([Au][N](=C([Au][N](=C1OC)CCCCC)OC)CCCCC)OC)CCCCC |
| Title of publication | Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3 |
| Authors of publication | Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5021 - 5029 |
| a | 14.9537 ± 0.0012 Å |
| b | 18.6091 ± 0.0015 Å |
| c | 21.0647 ± 0.0017 Å |
| α | 109.237 ± 0.006° |
| β | 90.151 ± 0.004° |
| γ | 104.539 ± 0.005° |
| Cell volume | 5333.8 ± 0.8 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179130 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/92. |
4309211.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309211.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309211.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309211.cif |
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Users of the data should acknowledge the original authors of the
structural data.