Information card for entry 4114845

Structure parameters

• Formula: C26 H28 Co N6 O10
• Calculated formula: C26 H28 Co N6 O10
• SMILES: [OH](C)[Co]([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: 7.4471 ± 0.0002 Å
• b: 12.6393 ± 0.0002 Å
• c: 14.7616 ± 0.0004 Å
• α: 90°
• β: 97.8869 ± 0.0014°
• γ: 90°
• Cell volume: 1376.31 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No