Information card for entry 7106033

Structure parameters

• Formula: C46 H60 N4 O2 Zn2
• Calculated formula: C46 H60 N4 O2 Zn2
• SMILES: C1(=CC(=[N](c2c(cc(cc2C)C)C)[Zn]2(N1c1c(cc(cc1C)C)C)[OH][Zn]1([N](=C(C=C(C)N1c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)[OH]2)C)C
• Title of publication: X-Ray crystal structure of a heterobimetallic Al–Zn-oxide complex
• Authors of publication: Stephan Schulz; Jan Spielmann; Dieter Blaser; Christoph Wolper
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2676
• a: 8.4102 ± 0.0002 Å
• b: 10.1431 ± 0.0003 Å
• c: 13.5329 ± 0.0003 Å
• α: 69.214 ± 0.001°
• β: 82.675 ± 0.001°
• γ: 80.137 ± 0.001°
• Cell volume: 1060.55 ± 0.05 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No