Information card for entry 4086234

Structure parameters

• Formula: C114 H160 Dy2 K2 N4 O18
• Calculated formula: C114 H160 Dy2 K2 N4 O18
• SMILES: [K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.O1CCCC1.O1CCCC1.O1CCCC1.[cH]12[cH]3[cH](c4ccccc14)[Dy]1456723([cH]2[cH]6c3c([cH]27)cccc3)[cH]2[cH]1[cH]4c1cccc(c21)[Dy]123467([cH]8[cH]1[cH]2c1cccc5c81)([cH]1[cH]3[cH]4c2ccccc12)[cH]1[cH]6c2c([cH]17)cccc2.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 13.807 ± 0.003 Å
• b: 13.959 ± 0.003 Å
• c: 15.063 ± 0.003 Å
• α: 108.975 ± 0.002°
• β: 92.819 ± 0.002°
• γ: 101.386 ± 0.002°
• Cell volume: 2671.1 ± 1 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No