Information card for entry 7710345

Structure parameters

• Formula: C38 H64 B Ce O2
• Calculated formula: C38 H64 B Ce O2
• SMILES: [Ce]12345678([O]9CCCC9)(OB9C%10CCCC9CCC%10)([cH]9[c]1([cH]8[c]3([cH]29)C(C)(C)C)C(C)(C)C)[cH]1[c]5([cH]7[cH]6[c]41C(C)(C)C)C(C)(C)C
• Title of publication: Reactivity studies on lanthanum and cerium hydrido metallocenes.
• Authors of publication: Yi, Chengkun; Wu, Lingfeng; Chen, Liang; Ren, Wenshan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9241 - 9246
• a: 10.5206 ± 0.0003 Å
• b: 19.3399 ± 0.0005 Å
• c: 18.2318 ± 0.0005 Å
• α: 90°
• β: 93.152 ± 0.002°
• γ: 90°
• Cell volume: 3703.96 ± 0.18 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No