Information card for entry 2213673

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquabis(4-chlorobenzoato-\ κ^2^<i>O</i>,<i>O</i>')manganese(II)]-μ-4,4'-bipyridine-\ κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine solvate]
• Formula: C34 H26 Cl2 Mn N4 O5
• Calculated formula: C34 H26 Cl2 Mn N4 O5
• SMILES: [Mn]12([O]=C(O1)c1ccc(Cl)cc1)([OH2])([O]=C(O2)c1ccc(Cl)cc1)([n]1ccc(cc1)c1cc[n](cc1)[Mn]23([O]=C(O2)c2ccc(Cl)cc2)([O]=C(O3)c2ccc(Cl)cc2)[OH2])[n]1ccc(c2ccncc2)cc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[[aquabis(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']4,4'-bipyridine solvate]
• Authors of publication: De-Yun Ma; Guo-Hua Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1772 - m1772
• a: 11.69 ± 0.0003 Å
• b: 6.151 ± 0.0002 Å
• c: 22.5184 ± 0.0006 Å
• α: 90°
• β: 102.369 ± 0.002°
• γ: 90°
• Cell volume: 1581.61 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes