Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2230330
Preview
| Coordinates | 2230330.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora- 6-borataspiro[5.5]undecane |
|---|---|
| Formula | C66 H68 Au B5 N4 O6 |
| Calculated formula | C66 H68 Au B5 N4 O6 |
| SMILES | [Au](=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.O1B(O[B-]2(OB1c1ccccc1)OB(OB(c1ccccc1)O2)c1ccccc1)c1ccccc1 |
| Title of publication | Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-borataspiro[5.5]undecane |
| Authors of publication | Möhlmann, Lennart; Wendt, Ola F.; Johnson, Magnus T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m719 - m720 |
| a | 15.388 ± 0.002 Å |
| b | 15.768 ± 0.002 Å |
| c | 16.453 ± 0.002 Å |
| α | 94.81 ± 0.01° |
| β | 112.86 ± 0.01° |
| γ | 117.65 ± 0.01° |
| Cell volume | 3083.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176798 (current) | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230330.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230330.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230330.cif |
| 22310 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230330 via cif-deposit CGI script. |
2230330.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.