Information card for entry 7700586

Structure parameters

• Formula: C32 H32 F6 Mn N5 O6 S2
• Calculated formula: C32 H32 F6 Mn N5 O6 S2
• Title of publication: Spin state solvomorphism in a series of rare S = 1 manganese(iii) complexes.
• Authors of publication: Barker, Andrew; Kelly, Conor T.; Kühne, Irina A; Hill, Stephen; Krzystek, J.; Wix, Paul; Esien, Kane; Felton, Solveig; Müller-Bunz, Helge; Morgan, Grace G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15560 - 15566
• a: 8.2729 ± 0.0003 Å
• b: 15.2825 ± 0.0006 Å
• c: 15.4726 ± 0.0006 Å
• α: 113.759 ± 0.004°
• β: 95.344 ± 0.003°
• γ: 99.235 ± 0.003°
• Cell volume: 1740.04 ± 0.13 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: 0.0487
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No