Information card for entry 7002251

Structure parameters

• Formula: C84 H60 Cu3 N12 O6
• Calculated formula: C84 H60 Cu3 N12 O6
• SMILES: [Cu]1234[N](N=C(O3)c3ccccc3)=C(C(=[N]3[Cu]56([N](N=C(O6)c6ccccc6)=C(C(=[N]6[Cu]78([N](N=C(O8)c8ccccc8)=C(C(=[N]2[N]7=C(O4)c2ccccc2)c2ccccc2)c2ccccc2)OC(=[N]56)c2ccccc2)c2ccccc2)c2ccccc2)OC(=[N]13)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 15.7016 ± 0.0005 Å
• b: 18.2981 ± 0.0006 Å
• c: 25.5157 ± 0.0008 Å
• α: 90°
• β: 92.655 ± 0.001°
• γ: 90°
• Cell volume: 7323 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No