Information card for entry 7718338

Structure parameters

• Formula: C30 H40 B F4 Mn N4 O4
• Calculated formula: C30 H40 B F4 Mn N4 O4
• Title of publication: Modulation of the spin crossover behaviour in four manganese(III) complexes through cation-anion interactions.
• Authors of publication: Malik, Suvamoy; Brandão, Paula; Benmansour, Samia; Gómez-García, Carlos J; Saha, Amrita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 6645 - 6652
• a: 8.4803 ± 0.0006 Å
• b: 20.3891 ± 0.0012 Å
• c: 18.858 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.7 ± 0.4 ų
• Cell temperature: 398.15 K
• Ambient diffraction temperature: 398.15 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No