Information card for entry 4114731

Structure parameters

• Chemical name: catena tetrakis(μ-acetato-O,O')(μ-acetato-O,O)(μ-1,3-bis (dimethylamino)N,N'-2-propoxo-O) di-zinc(II)
• Formula: C14 H26 Cl2 D2 N2 O7 Zn2
• Calculated formula: C14 H26 Cl2 D2 N2 O7 Zn2
• Title of publication: Variable-Temperature Nuclear Magnetic Resonance Spectroscopy Allows Direct Observation of Carboxylate Shift in Zinc Carboxylate Complexes
• Authors of publication: Alojz Demšar; Janez Košmrlj; Saša Petriček
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3951 - 3958
• a: 10.7671 ± 0.0002 Å
• b: 13.4855 ± 0.0003 Å
• c: 15.5292 ± 0.0004 Å
• α: 90°
• β: 90.761 ± 0.001°
• γ: 90°
• Cell volume: 2254.64 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No