Information card for entry 4102372

Structure parameters

• Formula: C38 H48 Co N4 O8
• Calculated formula: C38 H48 Co N4 O8
• SMILES: c12c(cc(cc2O[Co]2(O1)([n]1ccc(N(=O)=O)cc1)([n]1ccc(N(=O)=O)cc1)Oc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)C(C)(C)C)C(C)(C)C
• Title of publication: Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis
• Authors of publication: R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6261 - 6273
• a: 11.7175 ± 0.0009 Å
• b: 22.4237 ± 0.0018 Å
• c: 7.283 ± 0.0006 Å
• α: 90°
• β: 90.286 ± 0.004°
• γ: 90°
• Cell volume: 1913.6 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.1144
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No