Information card for entry 4102371

Structure parameters

• Formula: C40 H54 Co N2 O4
• Calculated formula: C40 H54 Co N2 O4
• SMILES: c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[Co]1(O2)([n]2ccc(cc2)C)([n]2ccc(cc2)C)Oc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1
• 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: 10.335 ± 0.0006 Å
• b: 10.0315 ± 0.0006 Å
• c: 21.6292 ± 0.0013 Å
• α: 90°
• β: 90.82 ± 0.003°
• γ: 90°
• Cell volume: 2242.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No