Information card for entry 2017236

Structure parameters

• Chemical name: di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'- dimethanol-1κ<i>O</i>,2κ<i>O</i>-bis{μ-2-[(2<i>E</i>,3<i>Z</i>)-4-oxidopent- 3-en-2-ylideneamino]phenolato}-1:2κ^4^<i>O</i>^2^,<i>N</i>, <i>O</i>^4^:<i>O</i>^4^;2:3κ^4^<i>O</i>^4^:<i>O</i>^2^,<i>N</i>, <i>O</i>^4^-trizinc(II)
• Formula: C28 H36 N2 O10 Zn3
• Calculated formula: C28 H36 N2 O10 Zn3
• SMILES: [Zn]123([N](c4c([O]1[Zn]1([O]5[Zn]6(OC(=CC(=[N]6c6c5cccc6)C)C)([O]=C(O1)C)[OH]C)[O]=C(O3)C)cccc4)=C(C=C(O2)C)C)[OH]C
• Title of publication: A novel trinuclear zinc(II) cluster with a tetrahedral ZnO~4~ core
• Authors of publication: Munro, Orde Q.; Gillham, Kate; Akerman, Matthew P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m317 - m320
• a: 10.5348 ± 0.0002 Å
• b: 11.6175 ± 0.0003 Å
• c: 13.5918 ± 0.0004 Å
• α: 88.768 ± 0.002°
• β: 79.582 ± 0.002°
• γ: 76.594 ± 0.002°
• Cell volume: 1591.11 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes