Information card for entry 7206417

Structure parameters

• Common name: (Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n
• Formula: C132 H116 Mn4 N8 Na4 O22
• Calculated formula: C132 H116 Mn4 N8 Na4 O22
• SMILES: [Mn]12([n]3cc(C#N)ccc3)(Oc3ccccc3c3ccccc3O1)([n]1cc(C#N)ccc1)Oc1ccccc1c1ccccc1O2.[Mn]12([n]3cccc(C#N)c3)(Oc3ccccc3c3ccccc3O1)Oc1ccccc1c1ccccc1O2.[Mn]12([n]3cccc(C#N)c3)(Oc3ccccc3c3ccccc3O1)Oc1ccccc1c1ccccc1O2.[Mn]12(Oc3ccccc3c3ccccc3O2)(Oc2ccccc2c2ccccc2O1)([OH]CC)[OH]CC.[Na+].[Na+].[Na+].[Na+].OCC.OCC.OCC.OCC
• Title of publication: A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains
• Authors of publication: Berg, Nelly; Jones, Leigh F.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5510
• a: 11.293 ± 0.002 Å
• b: 15.606 ± 0.003 Å
• c: 17.596 ± 0.004 Å
• α: 84.81 ± 0.03°
• β: 77.73 ± 0.03°
• γ: 81.07 ± 0.03°
• Cell volume: 2988.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.158
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No