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Information card for entry 7016065
Preview
Coordinates | 7016065.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H49 N Si Ti |
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Calculated formula | C30 H49 N Si Ti |
SMILES | [Ti]123456789%10([c]%11([Si]([c]%125[cH]6[c]7([cH]8[cH]9%12)C(C)(C)C)(C)C)[c]1([c]2([c]3([c]4%11C)C)C)C)C[C@H]1[C@@H](C%10)CN(C1)C(C)(C)C |
Title of publication | Cyclisation of α,ω-dienes promoted by bis(indenyl)zirconium sandwich and ansa-titanocene dinitrogen complexes. |
Authors of publication | Pun, Doris; Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 30 |
Pages of publication | 7737 - 7747 |
a | 17.6335 ± 0.0008 Å |
b | 9.8554 ± 0.0006 Å |
c | 17.9416 ± 0.0011 Å |
α | 90° |
β | 115.665 ± 0.003° |
γ | 90° |
Cell volume | 2810.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0722 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7016065.html
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Users of the data should acknowledge the original authors of the
structural data.