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Information card for entry 4071052
Preview
Coordinates | 4071052.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H25 Cl2 O Ti |
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Calculated formula | C33 H25 Cl2 O Ti |
SMILES | [Ti]1234(Cl)(Cl)([O]5CCCC5)[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 | 21.9397 ± 0.0007 Å |
b | 16.9151 ± 0.0006 Å |
c | 13.7806 ± 0.0006 Å |
α | 90° |
β | 93.952 ± 0.004° |
γ | 90° |
Cell volume | 5102 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4071052.html
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