Information card for entry 7018774

Structure parameters

• Formula: C38 H52 Se2 Th
• Calculated formula: C38 H52 Se2 Th
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[Th]16782345([c]2([cH]1[c]6([cH]7[cH]82)C(C)(C)C)C(C)(C)C)([Se]c1ccccc1)[Se]c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: A bipyridyl thorium metallocene: synthesis, structure and reactivity
• Authors of publication: Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5965
• a: 12.0333 ± 0.0016 Å
• b: 16.165 ± 0.002 Å
• c: 19.461 ± 0.003 Å
• α: 90°
• β: 104.175 ± 0.002°
• γ: 90°
• Cell volume: 3670.3 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No