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Information card for entry 4071057
Preview
Coordinates | 4071057.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H34 Cl2 O Ti |
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Calculated formula | C41 H34 Cl2 O Ti |
SMILES | [Ti]1234(Cl)(Cl)(Oc5c(cccc5C(C)C)C(C)C)[cH]5[c]61[c]2([c]13[c]45c2c(c3c1cccc3)cccc2)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 | 12.9695 ± 0.0007 Å |
b | 14.7973 ± 0.0007 Å |
c | 17.2211 ± 0.0011 Å |
α | 90° |
β | 100.068 ± 0.007° |
γ | 90° |
Cell volume | 3254.1 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0562 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
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/4071057.html
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