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Information card for entry 2018355
Preview
| Coordinates | 2018355.cif |
|---|---|
| Structure factors | 2018355.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I) |
|---|---|
| Formula | C27 H36 Au Cl N2 |
| Calculated formula | C27 H36 Au Cl N2 |
| SMILES | C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)=[Au]Cl |
| Title of publication | [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I) |
| Authors of publication | Linden, Anthony; de Haro, Teresa; Nevado, Cristina |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m1 - m3 |
| a | 10.6655 ± 0.0002 Å |
| b | 12.6641 ± 0.0002 Å |
| c | 19.5145 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2635.8 ± 0.08 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Weighted residual factors for all reflections included in the refinement | 0.0504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018355.cif 2018355.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018355.cif 2018355.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018355.cif 2018355.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018355.cif 2018355.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018355.cif 2018355.hkl |
| 32355 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018355 via cif-deposit CGI script. |
2018355.cif |
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Users of the data should acknowledge the original authors of the
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