Information card for entry 7700585

Structure parameters

• Formula: C30 H32 Cl Mn N4 O6
• Calculated formula: C30 H32 Cl Mn N4 O6
• 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: 7.49091 ± 0.00006 Å
• b: 12.7773 ± 0.0001 Å
• c: 14.7289 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.76 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No