Information card for entry 7044200

Structure parameters

• Common name: [{(3,5-(i-Pr)2Pz)ZnEt}2(μ-THF)]
• Formula: C26 H48 N4 O Zn2
• Calculated formula: C26 H48 N4 O Zn2
• SMILES: [O]12([Zn]3([n]4c(cc(C(C)C)n4[Zn]1([n]1c(cc(C(C)C)n31)C(C)C)CC)C(C)C)CC)CCCC2
• Title of publication: Dinuclear zinc(II) pyrazolates with different degrees of ring-fluorination and their use in zinc(II) mediated olefin aziridination
• Authors of publication: Ponduru, Tharun Teja; Dias, H. V. Rasika
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.0839 ± 0.0007 Å
• b: 8.044 ± 0.0003 Å
• c: 19.8329 ± 0.0007 Å
• α: 90°
• β: 108.207 ± 0.001°
• γ: 90°
• Cell volume: 2892.14 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No