Information card for entry 4102375

Structure parameters

• Formula: C54 H64 Co N4 O4
• Calculated formula: C54 H64 Co N4 O4
• SMILES: c12c(cc(cc2O[Co]2(O1)([n]1ccc(cc1)C#N)([n]1ccc(cc1)C#N)Oc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)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: 15.3071 ± 0.0007 Å
• b: 21.9836 ± 0.0011 Å
• c: 7.368 ± 0.0003 Å
• α: 90°
• β: 91.239 ± 0.002°
• γ: 90°
• Cell volume: 2478.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No