Information card for entry 7039349

Structure parameters

• Formula: C40 H36 Mn2 N8 O13
• Calculated formula: C40 H36 Mn2 N8 O13
• SMILES: C1(c2cc(ccc2)OC)=[O][Mn]23([n]4c(c5[n]2cccc5)cccc4)(O[Mn]2([n]4c(c5[n]2cccc5)cccc4)([O]=C(O3)c2cc(ccc2)OC)(O1)ON(=O)=O)ON(=O)=O.CC#N.CC#N
• Title of publication: New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.
• Authors of publication: Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11753 - 11764
• a: 24.3681 ± 0.0019 Å
• b: 13.781 ± 0.0011 Å
• c: 16.1592 ± 0.0013 Å
• α: 90°
• β: 130.004 ± 0.003°
• γ: 90°
• Cell volume: 4156.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No