Information card for entry 7041719

Structure parameters

• Formula: C32 H25 Cl Mn N4 O8
• Calculated formula: C32 H25 Cl Mn N4 O8
• 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: 8.2965 ± 0.0007 Å
• b: 13.4504 ± 0.001 Å
• c: 14.3581 ± 0.0012 Å
• α: 102.403 ± 0.003°
• β: 91.449 ± 0.004°
• γ: 106.589 ± 0.003°
• Cell volume: 1493.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No