Information card for entry 4325205

Structure parameters

• Chemical name: [K(18-crown-6)THF][Zn(Mes)3]
• Formula: C43 H65 K O7 Zn
• Calculated formula: C43 H65 K O7 Zn
• Title of publication: On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n= 0-2), a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine
• Authors of publication: Mark Irwin; Tobias Krämer; John E. McGrady; Jose M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5006 - 5014
• a: 33.6475 ± 0.0002 Å
• b: 10.7686 ± 0.0001 Å
• c: 24.2059 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8770.68 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No