Information card for entry 2239435

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]
• Formula: C10 H12 Cl2 Mn O6
• Calculated formula: C10 H12 Cl2 Mn O6
• SMILES: [Mn]1([OH]CC)([OH]CC)[O]=C2C(O1)=C(Cl)C1=[O][Mn]3(OC1=C2Cl)([OH]CC)([OH]CC)[O]=C1C(O3)=C(Cl)C(=O)C([O-])=C1Cl
• Title of publication: <i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]
• Authors of publication: Tanaka, Seiya; Himegi, Akiko; Ohishi, Tomomi; Fuyuhiro, Akira; Kawata, Satoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m90 - m91
• a: 5.0784 ± 0.0005 Å
• b: 8.1255 ± 0.0008 Å
• c: 8.9003 ± 0.0009 Å
• α: 102.718 ± 0.004°
• β: 105.175 ± 0.005°
• γ: 101.092 ± 0.003°
• Cell volume: 333.35 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes