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Information card for entry 2019152
Preview
| Coordinates | 2019152.cif |
|---|---|
| Structure factors | 2019152.hkl |
| Original IUCr paper | HTML |
| Chemical name | {η^2^-μ-3-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-yl}bis{3-[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-1-yl}digold(I) deuterochloroform disolvate |
|---|---|
| Formula | C59 H52 Au2 Cl6 D2 N4 O6 |
| Calculated formula | C59 H52 Au2 Cl6 D2 N4 O6 |
| SMILES | [Au]1(C#CCN2C(=O)c3c4c(C2=O)cccc4ccc3)[C](#[C]1[Au]C#CCN1C(=O)c2c3c(C1=O)cccc3ccc2)CN1C(=O)c2c3c(C1=O)cccc3ccc2.C(CC)[N+](CCC)(CCC)CCC.C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl |
| 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 | 8.3493 ± 0.0005 Å |
| b | 13.197 ± 0.0007 Å |
| c | 25.8732 ± 0.0014 Å |
| α | 85.084 ± 0.001° |
| β | 89.936 ± 0.001° |
| γ | 82.957 ± 0.001° |
| Cell volume | 2818.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
2019152.cif 2019152.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. |
2019152.cif 2019152.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019152.cif 2019152.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019152.cif 2019152.hkl |
| 88739 | 2013-10-02 | cif/ Adding structures of 2019152, 2019153 via cif-deposit CGI script. |
2019152.cif |
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Users of the data should acknowledge the original authors of the
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