Information card for entry 7049158

Structure parameters

• Formula: C75 H99.06 Mn N Na2 O6
• Calculated formula: C75 H99.054 Mn N Na2 O6
• Title of publication: First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications
• Authors of publication: Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 18.612 ± 0.004 Å
• b: 27.311 ± 0.006 Å
• c: 30.616 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15562 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No