Information card for entry 4087646

Structure parameters

• Formula: C47 H72 Cl N Si Th
• Calculated formula: C47 H72 Cl N Si Th
• SMILES: [c]12([c]3([cH]4[c]5([cH]1[Th]16782345([c]2([c]1([cH]6[c]7([cH]82)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Cl)N(c1ccc(cc1)C)[SiH2]c1ccccc1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene
• Authors of publication: Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3637
• a: 31.36 ± 0.005 Å
• b: 14.662 ± 0.002 Å
• c: 21.476 ± 0.003 Å
• α: 90°
• β: 111.577 ± 0.002°
• γ: 90°
• Cell volume: 9183 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No