Information card for entry 1569588

Structure parameters

• Formula: C44 H38 Co N6 O9
• Calculated formula: C44 H28 Co N6 O9
• 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: 8.7247 ± 0.0005 Å
• b: 13.4869 ± 0.0007 Å
• c: 16.4323 ± 0.0008 Å
• α: 93.298 ± 0.002°
• β: 97.277 ± 0.002°
• γ: 91.254 ± 0.002°
• Cell volume: 1913.99 ± 0.18 ų
• Cell temperature: 120.06 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2509
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No