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Information card for entry 7015353
Preview
Coordinates | 7015353.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H39 N3 Si Ti |
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Calculated formula | C27 H39 N3 Si Ti |
SMILES | [Ti]12345(N(c6c(c7ccccc7)cccc6)[Si]([c]63[c]2([c]4([c]5([c]61C)C)C)C)(C)C)(N(C)C)N(C)C |
Title of publication | Titanium "constrained geometry" complexes with pendant arene groups. |
Authors of publication | Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 12 |
Pages of publication | 2861 - 2867 |
a | 8.7355 ± 0.0017 Å |
b | 12.022 ± 0.002 Å |
c | 12.655 ± 0.003 Å |
α | 85.17 ± 0.03° |
β | 82.55 ± 0.03° |
γ | 79.94 ± 0.03° |
Cell volume | 1294.9 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1073 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1289 |
Weighted residual factors for all reflections included in the refinement | 0.1551 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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