Information card for entry 4114847

Structure parameters

• Formula: C26 H28 N6 O10 Zn
• Calculated formula: C26 H28 N6 O10 Zn
• SMILES: [OH](C)[Zn]([n]1ccc(cc1)NC(=O)c1ccccc1)([n]1ccc(cc1)NC(=O)c1ccccc1)([OH]C)(ON(=O)=O)ON(=O)=O
• 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: 7.4389 ± 0.0003 Å
• b: 12.6873 ± 0.0002 Å
• c: 14.7479 ± 0.0005 Å
• α: 90°
• β: 97.9708 ± 0.0012°
• γ: 90°
• Cell volume: 1378.45 ± 0.08 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No