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Information card for entry 7027787
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Coordinates | 7027787.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 Cl N O4 Ti |
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Calculated formula | C20 H22 Cl N O4 Ti |
SMILES | [Ti]123(Cl)([O]=C(C=C(O1)C)C)OCC([N]3=Cc1c(O2)ccc2ccccc12)(C)C |
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 | 8.757 ± 0.001 Å |
b | 16.15 ± 0.008 Å |
c | 27.766 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3927 ± 2 Å3 |
Cell temperature | 453 ± 2 K |
Ambient diffraction temperature | 453 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for all reflections | 0.1123 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Goodness-of-fit parameter for all reflections | 1.032 |
Goodness-of-fit parameter for significantly intense reflections | 1.167 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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