Information card for entry 4331081

Structure parameters

• Common name: [(Klaui)2Yb][CoCl3.THF] + 2C6H6
• Formula: C98 H90 Cl3 Co3 O19 P6 Yb
• Calculated formula: C98 H90 Cl3 Co3 O19 P6 Yb
• Title of publication: Lanthanide Complexes of the Kläui Metalloligand, CpCo(P=O(OR)2)3: An Examination of Ligand Exchange Kinetics between Isotopomers by Electrospray Mass Spectrometry
• Authors of publication: Kevin J. H. Allen; Emma C. Nicholls-Allison; Kevin R. D. Johnson; Rajinder S. Nirwan; David J. Berg; Dennis Wester; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12436 - 12443
• a: 19.6632 ± 0.0007 Å
• b: 19.7358 ± 0.0007 Å
• c: 24.5563 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9529.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No