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Information card for entry 4300846
Preview
| Coordinates | 4300846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.75 H18 S2 Ti |
|---|---|
| Calculated formula | C21.75 H18 S2 Ti |
| Title of publication | Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands |
| Authors of publication | Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 8 |
| Pages of publication | 2710 - 2718 |
| a | 30.827 ± 0.005 Å |
| b | 15.229 ± 0.003 Å |
| c | 15.027 ± 0.003 Å |
| α | 90° |
| β | 94.288 ± 0.003° |
| γ | 90° |
| Cell volume | 7035 ± 2 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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