Information card for entry 7118141

Structure parameters

• Formula: C24 H24 Cl4 F6 Mn N5 O6 S2
• Calculated formula: C24 H24 Cl4 F6 Mn N5 O6 S2
• Title of publication: Electronic vs. structural ordering in a manganese(iii) spin crossover complex.
• Authors of publication: Fitzpatrick, Anthony J.; Trzop, Eliza; Müller-Bunz, Helge; Dîrtu, Marinela M; Garcia, Yann; Collet, Eric; Morgan, Grace G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 99
• Pages of publication: 17540 - 17543
• a: 9.9941 ± 0.0004 Å
• b: 11.2766 ± 0.0004 Å
• c: 15.4647 ± 0.0005 Å
• α: 102.353 ± 0.003°
• β: 100.671 ± 0.003°
• γ: 100.272 ± 0.003°
• Cell volume: 1629.38 ± 0.11 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No