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Information card for entry 7021671
Preview
Coordinates | 7021671.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H82 N6 Ti2 |
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Calculated formula | C52 H82 N6 Ti2 |
SMILES | c1(c(cccc1C(C)C)C(C)C)N[Ti]12(Nc3c(cccc3C(C)C)C(C)C)N(c3c(cccc3C(C)C)C(C)C)[Ti]2(N(C)C)(N1c1c(cccc1C(C)C)C(C)C)N(C)C |
Title of publication | Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines. |
Authors of publication | Lorber, Christian; Vendier, Laure |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 34 |
Pages of publication | 12203 - 12219 |
a | 11.5158 ± 0.0004 Å |
b | 22.9429 ± 0.0008 Å |
c | 19.6453 ± 0.0007 Å |
α | 90° |
β | 98.712 ± 0.002° |
γ | 90° |
Cell volume | 5130.5 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0792 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7021671.html
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