Information card for entry 7043936

Structure parameters

• Formula: C41 H66.8 Mn N3 O3.4 S Si2
• Calculated formula: C41 H66.8 Mn N3 O3.4 S Si2
• Title of publication: A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D
• Authors of publication: Sova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, Jurek; Bucinsky, Lukas; Breza, Martin; Darvasiova, Denisa; Rapta, P.; Cano, Joan; Telser, Joshua; Arion, Vladimir
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 29.3668 ± 0.0008 Å
• b: 29.3668 ± 0.0008 Å
• c: 11.784 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10162.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No