Information card for entry 4114843

Structure parameters

• Formula: C28 H30 Co N4 O8
• Calculated formula: C28 H30 Co N4 O8
• SMILES: c1(cc[n]([Co]([n]2ccc(cc2)NC(=O)c2ccccc2)([OH2])([OH2])(OC(=O)C)OC(=O)C)cc1)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: 15.8579 ± 0.0004 Å
• b: 5.4924 ± 0.0001 Å
• c: 16.0201 ± 0.0005 Å
• α: 90°
• β: 110.486 ± 0.0011°
• γ: 90°
• Cell volume: 1307.08 ± 0.06 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: 0.047
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No