Information card for entry 7049154

Structure parameters

• Formula: C72.5 H98 Cr N O4
• Calculated formula: C70 H92 Cr N O4
• 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: 14.164 ± 0.0011 Å
• b: 14.4132 ± 0.0011 Å
• c: 18.4865 ± 0.0014 Å
• α: 108.161 ± 0.003°
• β: 91.379 ± 0.003°
• γ: 110.604 ± 0.003°
• Cell volume: 3318.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No