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Information card for entry 4307604
Preview
Coordinates | 4307604.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H101 Cl N2 P2 Si6 Ti |
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Calculated formula | C54 H101 Cl N2 P2 Si6 Ti |
SMILES | [Ti]123(Cl)(N([C]2(=[CH]3[C]1(C)=P(C)(C)CCP(C)C)C)c1c(cc(cc1C)C)C)=Nc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C |
Title of publication | Nucleophilic Attack toward Group 4 Metal Complexes Bearing Reactive 1-Aza-1,3-butadienyl and Imido Moieties |
Authors of publication | Hirofumi Hamaki; Nobuhiro Takeda; Norihiro Tokitoh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 1795 - 1802 |
a | 11.8582 ± 0.0013 Å |
b | 16.745 ± 0.002 Å |
c | 18.135 ± 0.004 Å |
α | 98.209 ± 0.017° |
β | 101.84 ± 0.015° |
γ | 107.231 ± 0.005° |
Cell volume | 3285.4 ± 1 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1948 |
Residual factor for significantly intense reflections | 0.0818 |
Weighted residual factors for significantly intense reflections | 0.1468 |
Weighted residual factors for all reflections included in the refinement | 0.1938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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