Information card for entry 7708560

Structure parameters

• Formula: C42 H56 Cl2 Fe N20 O10
• Calculated formula: C42 H56 Cl2 Fe N20 O10
• Title of publication: Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds bearing neutral tetradentate ligands.
• Authors of publication: Peng, Min; Wu, Xiao-Fan; Wang, Li-Xin; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Yiu, Shek-Man; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 15.9954 ± 0.0009 Å
• b: 10.5941 ± 0.0005 Å
• c: 16.11 ± 0.0009 Å
• α: 90°
• β: 92.895 ± 0.002°
• γ: 90°
• Cell volume: 2726.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No