Information card for entry 7133953

Structure parameters

• Common name: (PPh4)2[Cr3(m3-O)(m-4-Cl-pz)6Br3].CH2Cl2,
• Formula: C67 H54 Br3 Cl8 Cr3 N12 O P2
• Calculated formula: C67 H54 Br3 Cl8 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: 24.0399 ± 0.001 Å
• b: 17.8794 ± 0.0008 Å
• c: 16.9017 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7264.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 8
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No