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Information card for entry 4327037
Preview
Coordinates | 4327037.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ti(NOtBu)(Me3[6]aneN3)Cl2 |
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Formula | C10 H24 Cl2 N4 O Ti |
Calculated formula | C10 H24 Cl2 N4 O Ti |
SMILES | [Ti]12(Cl)(Cl)(=NOC(C)(C)C)[N]3(C[N]2(C[N]1(C3)C)C)C |
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 | 7.0669 ± 0.0002 Å |
b | 12.7144 ± 0.0003 Å |
c | 18.4571 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1658.4 ± 0.08 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 | 0.0466 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for all reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections included in the refinement | 0.0378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0571 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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