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Information card for entry 4076344
Preview
| Coordinates | 4076344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51.5 H43.5 Au Cl N4 P2 |
|---|---|
| Calculated formula | C51.5 H43.5 Au Cl N4 P2 |
| Title of publication | Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex |
| Authors of publication | Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 2184 |
| a | 26.8211 ± 0.0009 Å |
| b | 18.0574 ± 0.0008 Å |
| c | 21.79 ± 0.001 Å |
| α | 90° |
| β | 106.575 ± 0.002° |
| γ | 90° |
| Cell volume | 10114.8 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4076344.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4076344.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076344.cif |
| 51930 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076338, 4076339, 4076340, 4076341, 4076342, 4076343, 4076344, 4076345 via cif-deposit CGI script. |
4076344.cif |
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Users of the data should acknowledge the original authors of the
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