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Information card for entry 4060038
Preview
Coordinates | 4060038.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Ti2{(2-NC5H4)CH2N{CH2(2-O-4,6-C6H2(t-Bu)2)}2}2(mu-O)2] . 3(CH2Cl2) |
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Formula | C75 H106 Cl6 N4 O6 Ti2 |
Calculated formula | C75 H106 Cl6 N4 O6 Ti2 |
Title of publication | Synthesis, Structures, and Reactions of Titanium, Scandium, and Yttrium Complexes of Diamino-bis(phenolate) Ligands: Monomeric, Dimeric, Neutral, Cationic, and Multiply Bonded Derivatives |
Authors of publication | Catherine L. Boyd; Thierry Toupance; Ben R. Tyrrell; Benjamin D. Ward; Claire R. Wilson; Andrew R. Cowley; Philip Mountford |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Pages of publication | 309 - 330 |
a | 13.455 ± 0.0002 Å |
b | 15.6131 ± 0.0002 Å |
c | 20.7997 ± 0.0003 Å |
α | 95.4649 ± 0.0005° |
β | 96.8717 ± 0.0006° |
γ | 113.96 ± 0.0006° |
Cell volume | 3914.1 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1069 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for all reflections | 0.088 |
Weighted residual factors for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections included in the refinement | 0.052 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8473 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4060038.html
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Users of the data should acknowledge the original authors of the
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