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Information card for entry 7117480
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Coordinates | 7117480.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Pn*TiMe2 |
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Formula | C16 H24 Ti |
Calculated formula | C16 H24 Ti |
SMILES | [c]12([c]3([c]4([c]56[c]7([c]8([c]9([c]15[Ti]2346789(C)C)C)C)C)C)C)C |
Title of publication | Double CO2 activation by 14-electron eta^8^-permethylpentalene titanium dialkyl complexes |
Authors of publication | Robert T. Cooper; F. Mark Chadwick; Andrew E. Ashley; Dermot O'Hare |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 11856 |
a | 9.5686 ± 0.0002 Å |
b | 10.0906 ± 0.0002 Å |
c | 15.5541 ± 0.0003 Å |
α | 90° |
β | 97.1528 ± 0.0008° |
γ | 90° |
Cell volume | 1490.11 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections | 0.1053 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9201 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117480.html
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