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Information card for entry 7052059
Preview
Coordinates | 7052059.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H48 N2 O4 Ti |
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Calculated formula | C22 H48 N2 O4 Ti |
SMILES | [N]12([Ti]3([N](CC2)(C[C@H](O3)C(C)(C)C)C)(O[C@@H](C1)C(C)(C)C)(OC(C)C)OC(C)C)C.[N]12([Ti]3([N](CC2)(C[C@@H](O3)C(C)(C)C)C)(O[C@H](C1)C(C)(C)C)(OC(C)C)OC(C)C)C |
Title of publication | Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands |
Authors of publication | Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 135 |
a | 8.83 ± 0.005 Å |
b | 9.726 ± 0.005 Å |
c | 17.047 ± 0.005 Å |
α | 93.801 ± 0.005° |
β | 98.098 ± 0.005° |
γ | 112.844 ± 0.005° |
Cell volume | 1323.9 ± 1.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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