Information card for entry 4086114

Structure parameters

• Formula: C50.33 H93.67 Gd K N2 O7.33 Si4
• Calculated formula: C50.3333 H93.6667 Gd K N2 O7.33333 Si4
• 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: 11.7545 ± 0.0011 Å
• b: 27.696 ± 0.003 Å
• c: 30.708 ± 0.003 Å
• α: 116.043 ± 0.0011°
• β: 91.3051 ± 0.0012°
• γ: 94.447 ± 0.0012°
• Cell volume: 8936.9 ± 1.6 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No