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Information card for entry 2019153
Preview
| Coordinates | 2019153.cif |
|---|---|
| Structure factors | 2019153.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{3-[2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]prop-1-yn-1-yl}aurate(I) |
|---|---|
| Formula | C40 H54 Au N13 O2 |
| Calculated formula | C40 H54 Au N13 O2 |
| SMILES | [Au](C#CCOCC(n1cccn1)(n1cccn1)n1cccn1)C#CCOCC(n1cccn1)(n1cccn1)n1cccn1.[N+](CCC)(CCC)(CCC)CCC |
| Title of publication | Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes |
| Authors of publication | Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 954 - 958 |
| a | 8.4064 ± 0.0005 Å |
| b | 13.3301 ± 0.0007 Å |
| c | 38.1 ± 0.002 Å |
| α | 90° |
| β | 90.651 ± 0.001° |
| γ | 90° |
| Cell volume | 4269.1 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (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 2/01/91. |
2019153.cif 2019153.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. |
2019153.cif 2019153.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019153.cif 2019153.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019153.cif 2019153.hkl |
| 88739 | 2013-10-02 | cif/ Adding structures of 2019152, 2019153 via cif-deposit CGI script. |
2019153.cif |
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Users of the data should acknowledge the original authors of the
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