Information card for entry 7041720

Structure parameters

• Formula: C56 H46 Cl2 Mn2 N8 O14
• Calculated formula: C56 H46 Cl2 Mn2 N8 O14
• Title of publication: Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.
• Authors of publication: Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2699 - 2714
• a: 8.494 ± 0.004 Å
• b: 13.051 ± 0.005 Å
• c: 14.288 ± 0.005 Å
• α: 113.12 ± 0.02°
• β: 105.19 ± 0.03°
• γ: 92.03 ± 0.03°
• Cell volume: 1388.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No