Information card for entry 1569587

Structure parameters

• Formula: C88 H76 Cl3 Co2 N12 O28.5
• Calculated formula: C88 H59 Cl3 Co2 N12 O28.5
• Title of publication: pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.
• Authors of publication: Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 33
• Pages of publication: 8850 - 8859
• a: 9.224 ± 0.004 Å
• b: 12.38 ± 0.005 Å
• c: 19.363 ± 0.007 Å
• α: 85.759 ± 0.015°
• β: 77.184 ± 0.015°
• γ: 89.43 ± 0.015°
• Cell volume: 2150.1 ± 1.5 ų
• Cell temperature: 120.03 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No