Information card for entry 4326122

Structure parameters

• Formula: C92 H80 N12 O24 Zn8
• Calculated formula: C92 H80 N12 O24 Zn8
• SMILES: c12c3[O]4[Zn]56(O1)[O]1c7c8[O]5[Zn]59([N](=Cc%10cccc%11c%10[O]9[Zn]9%10(O%11)[O]%11c%12c%13[O]%14[Zn]%15%11(Oc%11cccc%16c%11[O]%15[Zn]%11%15([N](=C%16)c%16ccccc%16[N]%11=Cc%11c([O]%10%15)c([O]69)ccc%11)O)[O]6c9c%10[O]([Zn]%114([N](=Cc3ccc2)c2ccccc2[N]%11=Cc%10ccc9)O)[Zn]216Oc1cccc3c1[O]2[Zn]1%14([N](=C3)c2ccccc2[N]1=Cc%13ccc%12)O)c1ccccc1[N]5=Cc8ccc7)O.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Shape-Persistent Octanuclear Zinc Salen Clusters: Synthesis, Characterization, and Catalysis
• Authors of publication: Robert M. Haak; Antonello Decortes; Eduardo C. Escudero-Adán; Marta Martínez Belmonte; Eddy Martin; Jordi Benet-Buchholz; Arjan W. Kleij
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7934 - 7936
• a: 18.2189 ± 0.0018 Å
• b: 18.2189 ± 0.0018 Å
• c: 13.45 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4464.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No