Information card for entry 1550053

Structure parameters

• Formula: C50 H84 N2 O8 V
• Calculated formula: C50 H84 N2 O8 V
• Title of publication: Counterion Influence on Dynamic Spin Properties in a V(IV) Complex
• Authors of publication: Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.8268 ± 0.0011 Å
• b: 21.9164 ± 0.0019 Å
• c: 17.7812 ± 0.0015 Å
• α: 90°
• β: 99.648 ± 0.003°
• γ: 90°
• Cell volume: 4927.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.93 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No