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Information card for entry 4509234
Preview
Coordinates | 4509234.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 Cl2 Ti |
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Calculated formula | C18 H26 Cl2 Ti |
SMILES | [Ti]12345678(Cl)(Cl)([c]9([cH]1[cH]2[cH]3[cH]49)C(C)(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C |
Title of publication | Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2 |
Authors of publication | Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 5 |
Pages of publication | 2287 |
a | 10.7173 ± 0.0001 Å |
b | 12.8649 ± 0.0002 Å |
c | 13.1891 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1818.47 ± 0.04 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | Cu-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4509234.html
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