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Information card for entry 7053033
Preview
Coordinates | 7053033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H60 Br4 N4 O4 Ti |
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Calculated formula | C48 H60 Br4 N4 O4 Ti |
SMILES | c1(cc(cc2c1O[Ti]1([N](=C2)c2c(cccc2C(C)C)C(C)C)([N](=Cc2c(c(cc(c2)Br)Br)O1)c1c(cccc1C(C)C)C(C)C)(OC(C)C)OC(C)C)Br)Br.N#CC.N#CC |
Title of publication | Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies |
Authors of publication | Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam |
Journal of publication | New Journal of Chemistry |
Year of publication | 2013 |
Journal volume | 37 |
Journal issue | 4 |
Pages of publication | 949 |
a | 24.4152 ± 0.0013 Å |
b | 13.135 ± 0.0006 Å |
c | 18.3821 ± 0.001 Å |
α | 90° |
β | 116.306 ± 0.003° |
γ | 90° |
Cell volume | 5284.5 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0804 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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