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Information card for entry 4073191
Preview
| Coordinates | 4073191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 Si2 Ti |
|---|---|
| Calculated formula | C24 H40 Si2 Ti |
| SMILES | [Ti]123456789%10([C]%11([Si](C6)(C)C)[C]1([C]2(=[C]3([C]4=%11C)C)C)=[CH2]5)[c]1([Si](C)(C)C)[c]7([c]8([c]9([c]%101C)C)C)C |
| Title of publication | Effect of the Trimethylsilyl Substituent on the Reactivity of Permethyltitanocene |
| Authors of publication | Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Lönnecke, Peter; Kubišta, Jiří; Horáček, Michal; Mach, Karel |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 3100 |
| a | 9.08 ± 0.006 Å |
| b | 9.583 ± 0.007 Å |
| c | 14.339 ± 0.01 Å |
| α | 80.987 ± 0.012° |
| β | 82.538 ± 0.012° |
| γ | 89.766 ± 0.013° |
| Cell volume | 1221.7 ± 1.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.1799 |
| Residual factor for significantly intense reflections | 0.1386 |
| Weighted residual factors for significantly intense reflections | 0.3803 |
| Weighted residual factors for all reflections included in the refinement | 0.3998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31. |
4073191.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073191.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073191.cif |
| 46210 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073189, 4073190, 4073191 via cif-deposit CGI script. |
4073191.cif |
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Users of the data should acknowledge the original authors of the
structural data.