Information card for entry 7041365

Structure parameters

• Formula: C44 H56 Ca2 Cl4 Mn2 N10 O26
• Calculated formula: C44 H56 Ca2 Cl4 Mn2 N10 O26
• Title of publication: Slow magnetic relaxation in a dimeric Mn2Ca2 complex enabled by the large Mn(iii) rhombicity.
• Authors of publication: Arauzo, Ana; Bartolomé, Elena; Benniston, Andrew C.; Melnic, Silvia; Shova, Sergiu; Luzón, Javier; Alonso, Pablo J.; Barra, Anne-Laure; Bartolomé, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 720 - 732
• a: 27.6073 ± 0.0011 Å
• b: 14.4511 ± 0.0005 Å
• c: 16.2615 ± 0.0007 Å
• α: 90°
• β: 97.253 ± 0.004°
• γ: 90°
• Cell volume: 6435.7 ± 0.4 ų
• Cell temperature: 260 ± 0.14 K
• Ambient diffraction temperature: 260 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No