Information card for entry 4114842

Structure parameters

• Formula: C28 H26 Cu N4 O6
• Calculated formula: C28 H26 Cu N4 O6
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)NC(=O)c1ccccc1)(OC(=O)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: 8.0203 ± 0.0002 Å
• b: 8.7561 ± 0.0003 Å
• c: 9.8058 ± 0.0003 Å
• α: 76.776 ± 0.002°
• β: 75.4011 ± 0.0018°
• γ: 83.5565 ± 0.0014°
• Cell volume: 647.63 ± 0.03 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0804
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No