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Information card for entry 4132654
Preview
Coordinates | 4132654.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H51 N3 Si Ti |
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Calculated formula | C27 H51 N3 Si Ti |
SMILES | [Ti]123456(N(C(C)(C)C)[Si]([c]17[c]3([c]4(C)[c]5([c]67C)C)C)(C)C)([N](=[C]2(C)C)C(C)(C)C)C#[N]C(C)(C)C |
Title of publication | Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes. |
Authors of publication | Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 28 |
Pages of publication | 8980 - 8989 |
a | 10.297 ± 0.004 Å |
b | 15.025 ± 0.005 Å |
c | 19.462 ± 0.007 Å |
α | 90° |
β | 101.74 ± 0.005° |
γ | 90° |
Cell volume | 2948 ± 1.8 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1741 |
Weighted residual factors for all reflections included in the refinement | 0.1811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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