Information card for entry 1576538

Structure parameters

• Formula: C64 H60 Cl4 Co3 N18 O4
• Calculated formula: C64 H60 Cl4 Co3 N18 O4
• Title of publication: Spin-Electric Coupling in a Cobalt(II)-Based Spin Triangle Revealed by Electric-Field-Modulated Electron Spin Resonance Spectroscopy
• Authors of publication: Benjamin Kintzel; Maria Fittipaldi; Michael Böhme; Alberto Cini; Lorenzo Tesi; Axel Buchholz; Roberta Sessoli; Winfried Plass
• Journal of publication: Angewandte Chemie International Edition
• Year of publication: 2021
• Journal volume: 60
• Journal issue: 16
• Pages of publication: 8832 - 8838
• a: 12.2386 ± 0.0016 Å
• b: 17.608 ± 0.002 Å
• c: 16.047 ± 0.002 Å
• α: 90°
• β: 107.74 ± 0.007°
• γ: 90°
• Cell volume: 3293.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No