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Information card for entry 7012063
Preview
Coordinates | 7012063.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ti(py)2(NtBu)(OCHMes2)2] |
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Formula | C52 H65 N3 O2 Ti |
Calculated formula | C52 H65 N3 O2 Ti |
Title of publication | Transition-metal imido-boroxide complexes: a structural and spectroscopic investigation of the influence of boron |
Authors of publication | Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 22 |
Pages of publication | 4168 |
a | 10.5789 ± 0.0001 Å |
b | 19.55 ± 0.0003 Å |
c | 22.5063 ± 0.0003 Å |
α | 82.37 ± 0.001° |
β | 89.957 ± 0.001° |
γ | 83.821 ± 0.001° |
Cell volume | 4586.25 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0977 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.1476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7012063.html
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structural data.