Information card for entry 1573828

Structure parameters

• Formula: C30 H30 Co N4 O2
• Calculated formula: C30 H30 Co N4 O2
• Title of publication: THz-EPR-based Magneto-Structural Correlations for Cobalt(II) Single-Ion Magnets With Bis-Chelate Coordination
• Authors of publication: Maximilian H. Pohle; Thomas Lohmiller; Michael Böhme; Michał Rams; Sven Ziegenbalg; Helmar Görls; Alexander Schnegg; Winfried Plass
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2024
• Journal volume: 30
• Journal issue: 60
• Pages of publication: e202401545(1) - e202401545(14)
• a: 10.1242 ± 0.0003 Å
• b: 16.4696 ± 0.0004 Å
• c: 17.3838 ± 0.0004 Å
• α: 115.052 ± 0.001°
• β: 95.934 ± 0.002°
• γ: 98.372 ± 0.001°
• Cell volume: 2553.51 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0702
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No