Information card for entry 4076749

Structure parameters

• Formula: C56 H84 O8 S4 Zr2
• Calculated formula: C56 H84 O8 S4 Zr2
• Title of publication: Early-Transition-Metal Macrocycles as Metalloligands: Synthesis and Structure of Dinuclear Zirconocene Thioglycolates [Cp°2Zr{OOC(CH2SCH2)nCOO}2ZrCp°2] (n= 1, 2) and Their Heterobimetallic Complexes with Mo0and PdII ‡
• Authors of publication: Wenzel, Barbara; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2070
• a: 9.012 ± 0.002 Å
• b: 9.454 ± 0.002 Å
• c: 17.75 ± 0.004 Å
• α: 87.781 ± 0.004°
• β: 83.709 ± 0.004°
• γ: 71.316 ± 0.004°
• Cell volume: 1424 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2666
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No