Information card for entry 7032326

Structure parameters

• 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 ų
• 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
• Duplicate of: 7031822
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No