Information card for entry 4318428

Structure parameters

• Formula: C11 H9 Cl2 N3 O Zn
• Calculated formula: C11 H8 Cl2 N3 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2C(=NO)c2[n]1cccc2
• Title of publication: From Monomer Zinc-Oxamato Complexes to Tetranuclear Inverse 12-Membered and Octanuclear 12-Membered Metallacrowns
• Authors of publication: Maria Alexiou; Catherine Dendrinou-Samara; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4732 - 4738
• a: 7.295 ± 0.009 Å
• b: 12.71 ± 0.01 Å
• c: 14.2 ± 0.01 Å
• α: 88.55 ± 0.03°
• β: 82.75 ± 0.04°
• γ: 89.78 ± 0.04°
• Cell volume: 1306 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections: 0.2808
• Weighted residual factors for significantly intense reflections: 0.2621
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No