Information card for entry 7206415

Structure parameters

• Common name: [Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]
• Formula: C54 H58 Mn N2 Na O9
• Calculated formula: C54 H58 Mn N2 Na O9
• SMILES: [Mn]12([n]3cccc(C)c3)([n]3cccc(c3)C)(Oc3ccccc3c3ccccc3O1)Oc1ccccc1c1ccccc1O2.[Na]1([OH]c2ccccc2c2ccccc2[OH]1)([OH]CC)([OH]CC)[OH]CC
• 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: 10.35 ± 0.002 Å
• b: 11.989 ± 0.002 Å
• c: 21.671 ± 0.004 Å
• α: 86.9 ± 0.03°
• β: 78.51 ± 0.03°
• γ: 69.14 ± 0.03°
• Cell volume: 2462 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No