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Information card for entry 7027788
Preview
Coordinates | 7027788.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H30 N2 O4 Ti |
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Calculated formula | C30 H30 N2 O4 Ti |
SMILES | [Ti]1234(Oc5c(c6c(cccc6)cc5)C=[N]3C(CO2)(C)C)Oc2c(C=[N]4C(CO1)(C)C)c1c(cc2)cccc1 |
Title of publication | Reactivity of cis-bis(acetylacetonato)dichlorotitanium(IV) towards hydroxy-containing ligands: isolation and characterisation of products † |
Authors of publication | Rao, P. Venkateshwara; Pulla Rao, Chebrolu; Wegelius, Elina K.; Kolehmainen, Erkki; Rissanen, Kari |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 24 |
Pages of publication | 4469 |
a | 13.769 ± 0.002 Å |
b | 10.985 ± 0.002 Å |
c | 17.0552 ± 0.0015 Å |
α | 90° |
β | 102.384 ± 0.01° |
γ | 90° |
Cell volume | 2519.6 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0642 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for all reflections | 0.0911 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Goodness-of-fit parameter for all reflections | 0.998 |
Goodness-of-fit parameter for significantly intense reflections | 1.119 |
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/7027788.html
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Users of the data should acknowledge the original authors of the
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