Information card for entry 7230069

Structure parameters

• Common name: S106
• Formula: C46 H62 Mn2 N6 O13 S2 Se2
• Calculated formula: C46 H62 Mn2 N6 O13 S2 Se2
• Title of publication: Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes
• Authors of publication: Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1077
• a: 11.0249 ± 0.0004 Å
• b: 11.9113 ± 0.0005 Å
• c: 11.9381 ± 0.0005 Å
• α: 114.849 ± 0.001°
• β: 106.773 ± 0.001°
• γ: 95.718 ± 0.001°
• Cell volume: 1317.3 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0373
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No