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Information card for entry 7111276
Preview
Coordinates | 7111276.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 Cl2 P2 Ti |
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Calculated formula | C24 H24 Cl2 P2 Ti |
SMILES | [Ti]12345678(Cl)(Cl)(P9[C]1(=[C]2([C]3(=[CH]49)C)C)c1ccccc1)P1[C]5(=[C]6([C]7(=[CH]81)C)C)c1ccccc1 |
Title of publication | The first structural characterization and determination of the isomerization activation parameters of a chiral phosphatitanoceneElectronic supplementary information (ESI) available: X-ray structure determination. See http://www.rsc.org/suppdata/cc/b2/b208945a/ |
Authors of publication | Hollis, T. Keith; Ahn, Yi Joon; Tham, Fook S. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 24 |
Pages of publication | 2996 |
a | 8.7827 ± 0.0008 Å |
b | 8.8656 ± 0.0008 Å |
c | 15.7127 ± 0.0014 Å |
α | 96.547 ± 0.002° |
β | 106.049 ± 0.002° |
γ | 102.179 ± 0.002° |
Cell volume | 1129.8 ± 0.18 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.041 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0895 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/7111276.html
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