Information card for entry 1549971

Structure parameters

• Formula: C38 H63 Cl2 Co N5 O8 S3
• Calculated formula: C38 H63 Cl2 Co N5 O8 S3
• Title of publication: Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.
• Authors of publication: Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 48
• Pages of publication: 9018 - 9026
• a: 8.8767 ± 0.0007 Å
• b: 14.5893 ± 0.0011 Å
• c: 19.0022 ± 0.0014 Å
• α: 107.139 ± 0.002°
• β: 97.232 ± 0.002°
• γ: 101.356 ± 0.002°
• Cell volume: 2260.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No