Information card for entry 7037705

Structure parameters

• Formula: C28 H44 Cl4 Mn2 N4 O2 S2
• Calculated formula: C28 H44 Cl4 Mn2 N4 O2 S2
• Title of publication: First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.
• Authors of publication: Dub, Pavel A.; Scott, Brian L.; Gordon, John C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1560 - 1571
• a: 12.171 ± 0.003 Å
• b: 11.594 ± 0.003 Å
• c: 24.657 ± 0.005 Å
• α: 90°
• β: 100.927 ± 0.002°
• γ: 90°
• Cell volume: 3416.3 ± 1.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No