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Information card for entry 4071054
Preview
Coordinates | 4071054.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H30 Cl2 O Ti |
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Calculated formula | C39 H30 Cl2 O Ti |
SMILES | [Ti]1234(Cl)(Cl)(Oc5ccc(cc5)C(C)(C)C)[cH]5[c]61[c]2([c]13c2ccccc2c2ccccc2[c]451)c1c(c2c6cccc2)cccc1 |
Title of publication | Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application |
Authors of publication | Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 8 |
Pages of publication | 1859 |
a | 10.5863 ± 0.0018 Å |
b | 10.7139 ± 0.0014 Å |
c | 14.898 ± 0.003 Å |
α | 109.84 ± 0.02° |
β | 97.97 ± 0.02° |
γ | 99.321 ± 0.018° |
Cell volume | 1534 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.2285 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1272 |
Weighted residual factors for all reflections included in the refinement | 0.1752 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.758 |
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/4071054.html
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