Information card for entry 2227248

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]
• Formula: C21 H25 Mn N2 O7
• Calculated formula: C21 H25 Mn N2 O7
• SMILES: [Mn]123(Oc4cc(OC)ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)(OC(=O)C)[O]=C(O[Mn]123Oc4cc(OC)ccc4C=[N]2CC[N]3=Cc2ccc(OC)cc2O1)C.OC.OC
• Title of publication: <i>catena</i>-Poly[[[{5,5'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}manganese(III)]-μ-acetato] methanol monosolvate]
• Authors of publication: Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1384 - m1385
• a: 6.6237 ± 0.0002 Å
• b: 21.5007 ± 0.0006 Å
• c: 14.5544 ± 0.0004 Å
• α: 90°
• β: 97.539 ± 0.003°
• γ: 90°
• Cell volume: 2054.84 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes