Information card for entry 4086236

Structure parameters

• Formula: C22 H29 O Y
• Calculated formula: C22 H29 O Y
• SMILES: [Y]123456789%10%11%12([O]%13CCCC%13)([c]%13([cH]1[cH]2[cH]3[cH]9%13)C)([c]1([cH]5[cH]4[cH]%10[cH]%111)C)[c]1([cH]%12[cH]6[cH]7[cH]81)C
• Title of publication: Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion
• Authors of publication: Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3909
• a: 9.2717 ± 0.0014 Å
• b: 12.6044 ± 0.0019 Å
• c: 16.25 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899 ± 0.5 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No