Information card for entry 7133952

Structure parameters

• Common name: [PPh4]2[Cr3(m3-O)(m-4-Cl-pz)6Cl3],
• Formula: C67 H54 Cl11 Cr3 N12 O P2
• Calculated formula: C67 H54 Cl11 Cr3 N12 O P2
• Title of publication: Pyrazolate-supported Cr3(µ3-O) cores; homovalent CrIII3 and mixed-valent CrIII2CrIV
• Authors of publication: López-Plá, Jessica M; Obies, Mohammed; Zahariou, Georgia; Pissas, Michael; Sanakis, Yiannis; McGrady, John E.; Raptis, Raphael G.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 23.746 ± 0.005 Å
• b: 17.54 ± 0.004 Å
• c: 16.981 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7073 ± 3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No