Information card for entry 7033038

Structure parameters

• Common name: [Mn2(adc)2(bpma)2(H2O)2]
• Formula: C34 H34 Mn2 N6 O10
• Calculated formula: C34 H34 Mn2 N6 O10
• SMILES: c12cccc[n]1[Mn]13([n]4ccccc4C[N]1(C)C2)(OC(=O)C#CC(=O)O[Mn]12([N](C)(Cc4cccc[n]14)Cc1[n]2cccc1)(OC(=O)C#CC(=O)O3)[OH2])[OH2]
• Title of publication: Ancillary ligand assisted self-assembly of coordination architectures of Mn(II): the effect of the N-alkyl group on a tridentate ligand.
• Authors of publication: Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1203 - 1210
• a: 14.0877 ± 0.0016 Å
• b: 13.1032 ± 0.0014 Å
• c: 19.028 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No