Information card for entry 7120636

Structure parameters

• Formula: C30 H45 N3 O9 Zn3
• Calculated formula: C30 H45 N3 O9 Zn3
• SMILES: C(C)(C)(C)[O]1[Zn]2([O](C(C)(C)C)[Zn]3([O](C(C)(C)C)[Zn]41[O]=C(c1cccn41)OC)[O]=C(c1cccn31)OC)[O]=C(c1cccn21)OC
• 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: 9.529 ± 0.0002 Å
• b: 11.443 ± 0.0003 Å
• c: 16.959 ± 0.0005 Å
• α: 95.452 ± 0.001°
• β: 92.72 ± 0.002°
• γ: 101.483 ± 0.002°
• Cell volume: 1799.82 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No