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Information card for entry 4311932
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Coordinates | 4311932.cif |
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Original paper (by DOI) | HTML |
Common name | Bis(nitrilotriethoxy)-benzylidenedi-3,5-di-tert-butyl-2-phenoxy)dititanium(IV) tetramer dipentane octasesqui(dichloromethane) solvate |
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Formula | C206.5 H321 Cl17 N8 O32 Ti8 |
Calculated formula | C206.5 H321 Cl17 N8 O32 Ti8 |
Title of publication | Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation |
Authors of publication | Aaron G. Maestri; Seth N. Brown |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 6995 - 7004 |
a | 27.581 ± 0.002 Å |
b | 30.981 ± 0.002 Å |
c | 28.825 ± 0.002 Å |
α | 90° |
β | 95.741 ± 0.001° |
γ | 90° |
Cell volume | 24507 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1171 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections | 0.2639 |
Weighted residual factors for significantly intense reflections | 0.233 |
Goodness-of-fit parameter for all reflections | 1 |
Goodness-of-fit parameter for significantly intense reflections | 1.135 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4311932.html
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