Information card for entry 4114844

Structure parameters

• Formula: C32 H32 N4 O10 Zn2
• Calculated formula: C32 H32 N4 O10 Zn2
• SMILES: c1cc(cc[n]1[Zn]1([O]=C(O[Zn]([n]2ccc(cc2)NC(=O)c2ccccc2)([O]=C(O1)C)OC(=O)C)C)OC(=O)C)NC(=O)c1ccccc1
• Title of publication: Engineering the Structure and Magnetic Properties of Crystalline Solids via the Metal-Directed Self-Assembly of a Versatile Molecular Building Unit
• Authors of publication: Juan C. Noveron; Myoung Soo Lah; Rico E. Del Sesto; Atta M. Arif; Joel S. Miller; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6613 - 6625
• a: 19.8901 ± 0.0003 Å
• b: 12.3626 ± 0.0003 Å
• c: 15.0476 ± 0.0003 Å
• α: 90°
• β: 113.957 ± 0.0015°
• γ: 90°
• Cell volume: 3381.35 ± 0.12 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No