Information card for entry 7120635

Structure parameters

• Formula: C32 H42 N4 O9 Zn4
• Calculated formula: C32 H42 N4 O9 Zn4
• SMILES: C(C)(C)(C)[Zn]12[O]34[Zn]56(n7cccc7C(=[O]5[Zn]3(C(C)(C)C)[O]3=C(c5cccn5[Zn]543n3cccc3C(=[O]25)OC)OC)OC)[O]1=C(OC)c1cccn61
• Title of publication: Oxygenation of RZn(N,O)-type complexes as an efficient route to zinc alkoxides not accessible via classical alcoholysis path
• Authors of publication: Wróbel, Zbigniew; Pietrzak, Tomasz; Justyniak, Iwona; Lewinski, Janusz
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 18.006 ± 0.0004 Å
• b: 11.416 ± 0.0002 Å
• c: 18.117 ± 0.0004 Å
• α: 90°
• β: 92.161 ± 0.001°
• γ: 90°
• Cell volume: 3721.42 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No