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Information card for entry 4085036
Preview
| Coordinates | 4085036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H48 Cl2 Ge |
|---|---|
| Calculated formula | C48 H48 Cl2 Ge |
| SMILES | [Ge](c1c(c2c(C)cc(C)cc2C)cc(Cl)cc1c1c(C)cc(cc1C)C)c1c(cc(Cl)cc1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C |
| Title of publication | Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues |
| Authors of publication | Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2222 |
| a | 11.8629 ± 0.0014 Å |
| b | 12.4867 ± 0.0013 Å |
| c | 14.7734 ± 0.0015 Å |
| α | 77.449 ± 0.004° |
| β | 68.731 ± 0.004° |
| γ | 82.535 ± 0.004° |
| Cell volume | 1987.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085036.cif |
| 178739 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50. |
4085036.cif |
| 140216 | 2015-07-05 | cif/ Updating files of 4085033, 4085034, 4085035, 4085036, 4085037, 4085038, 4085039, 4085040, 4085041 Original log message: Adding full bibliography for 4085033--4085041.cif. |
4085036.cif |
| 128683 | 2014-12-13 | cif/ Adding structures of 4085033, 4085034, 4085035, 4085036, 4085037, 4085038, 4085039, 4085040, 4085041 via cif-deposit CGI script. |
4085036.cif |
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Users of the data should acknowledge the original authors of the
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