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Information card for entry 4327035
Preview
Coordinates | 4327035.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ti(Me3[9]ane)(NOtBu)Cl2 |
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Formula | C14 H32 Cl4 N4 O Ti |
Calculated formula | C14 H32 Cl4 N4 O Ti |
SMILES | [Ti]12(=NOC(C)(C)C)([N]3(CC[N]1(CC[N]2(CC3)C)C)C)(Cl)Cl.ClCCl |
Title of publication | Titanium tert-Butoxyimido Compounds |
Authors of publication | Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 12155 - 12171 |
a | 9.4842 ± 0.0001 Å |
b | 14.1967 ± 0.0002 Å |
c | 16.5538 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2228.88 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.0391 |
Weighted residual factors for all reflections included in the refinement | 0.0368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1168 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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