Information card for entry 7710293

Structure parameters

• Formula: C92 H66 Cl6 F12 N14 P2 Pd2 Re
• Calculated formula: C92 H66 Cl6 F12 N14 P2 Pd2 Re
• 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: 12.1451 ± 0.0004 Å
• b: 12.7786 ± 0.0004 Å
• c: 17.3925 ± 0.0006 Å
• α: 93.695 ± 0.003°
• β: 99.071 ± 0.003°
• γ: 118.328 ± 0.003°
• Cell volume: 2316 ± 0.15 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No