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Information card for entry 7031822
Preview
Coordinates | 7031822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 |
---|---|
Calculated formula | C40 H32 |
SMILES | c1cc2CC(=Cc2cc1)C1=C[C@H]2[C@]3(C(=C4[C@@H]([C@@]51[C@@H]3c1ccccc1C5)c1ccccc1C4)C)Cc1c2cccc1.c1cc2CC(=Cc2cc1)C1=C[C@@H]2[C@@]3(C(=C4[C@H]([C@]51[C@H]3c1ccccc1C5)c1ccccc1C4)C)Cc1c2cccc1 |
Title of publication | 1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium. |
Authors of publication | Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 35 |
Pages of publication | 13219 - 13231 |
a | 9.7792 ± 0.0005 Å |
b | 18.3385 ± 0.0009 Å |
c | 15.3858 ± 0.0008 Å |
α | 90° |
β | 103.06 ± 0.002° |
γ | 90° |
Cell volume | 2687.9 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 2 |
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 | 0.1009 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.0967 |
Weighted residual factors for all reflections included in the refinement | 0.114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/7031822.html
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Users of the data should acknowledge the original authors of the
structural data.