Information card for entry 7706444

Structure parameters

• Formula: C46 H42 Co N14 O S2
• Calculated formula: C46 H42 Co N14 O S2
• Title of publication: Alignment of axial anisotropy of a mononuclear hexa-coordinated Co(II) complex in a lattice shows improved single molecule magnetic behavior over a 2D coordination polymer having a similar ligand field.
• Authors of publication: Kharwar, Ajit Kumar; Mondal, Arpan; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2832 - 2840
• a: 20.7532 ± 0.0014 Å
• b: 11.7938 ± 0.001 Å
• c: 19.5101 ± 0.0014 Å
• α: 90°
• β: 109.048 ± 0.002°
• γ: 90°
• Cell volume: 4513.8 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No