Information card for entry 7002250

Structure parameters

• Formula: C84 H60 N12 O6 Zn3
• Calculated formula: C84 H60 N12 O6 Zn3
• SMILES: [Zn]1234[N](=C(C(c5ccccc5)=[N]5[Zn]67([N](=C(C(c8ccccc8)=[N]8[Zn]9%10([N](=C(C(c%11ccccc%11)=[N]2[N]9=C(c2ccccc2)O4)c2ccccc2)N=C(c2ccccc2)O%10)OC(c2ccccc2)=[N]68)c2ccccc2)N=C(c2ccccc2)O7)OC(c2ccccc2)=[N]15)c1ccccc1)N=C(c1ccccc1)O3
• Title of publication: Structural diversity of benzil bis(benzoylhydrazone): Mononuclear, binuclear and trinuclear complexes
• Authors of publication: López-Torres, Elena; Mendiola, M. Antonia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7639 - 7647
• a: 15.6131 ± 0.0012 Å
• b: 18.2359 ± 0.0015 Å
• c: 25.3841 ± 0.0018 Å
• α: 90°
• β: 92.908 ± 0.004°
• γ: 90°
• Cell volume: 7218 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No