Information card for entry 7019595

Structure parameters

• Common name: [Mn2(Napth-sao)2(Napth-saoH)2(MeOH)2].4MeOH
• Formula: C50 H54 Mn2 N4 O14
• Calculated formula: C50 H54 Mn2 N4 O14
• SMILES: [N]12=Cc3c(ccc4ccccc34)O[Mn]31([OH]C)([N](O)=Cc1c4ccccc4ccc1O3)O[N]1=Cc3c(ccc4ccccc34)O[Mn]31([N](O)=Cc1c4ccccc4ccc1O3)(O2)[OH]C.OC.OC.OC.OC
• Title of publication: Ferromagnetic exchange in a twisted, oxime-bridged [Mn(III)(2)] dimer.
• Authors of publication: Houton, Edel; Taylor, Stephanie M.; Beedle, Christopher C.; Cano, Joan; Piligkos, Stergios; Hill, Stephen; Ryder, Alan G.; Brechin, Euan K.; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8340 - 8347
• a: 8.4931 ± 0.0017 Å
• b: 22.495 ± 0.005 Å
• c: 24.783 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4734.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No