Information card for entry 7710292

Structure parameters

• Formula: C88.34 H64.69 Br6 Cu2 F6 N9.66 O10.48 Re S2
• Calculated formula: C88.34 H64.68 Br6 Cu2 F6 N9.66 O10.49 Re S2
• Title of publication: Guest-induced magnetic exchange in paramagnetic [M2L4]4+ coordination cages
• Authors of publication: Singh, Mukesh K.; Etcheverry-Berríos, Alvaro; Vallejo, Julia; Sanz, Sergio; Martínez-Lillo, José; Nichol, Gary S.; Lusby, Paul J.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.2519 ± 0.0001 Å
• b: 24.1742 ± 0.0002 Å
• c: 12.2773 ± 0.0001 Å
• α: 90°
• β: 90.73 ± 0.001°
• γ: 90°
• Cell volume: 4526.3 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No