Information card for entry 2226524

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(4-methylbenzoato-κ<i>O</i>)manganese(II)]-μ-aqua- bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')[(4-methylbenzoato- κ<i>O</i>)manganese(II)]-bis(μ-<i>N</i>,<i>N</i>-diethylnicotinamide)- κ^2^<i>N</i>^3^:<i>O</i>;<i>O</i>:<i>N</i>^3^]
• Formula: C52 H58 Mn2 N4 O11
• Calculated formula: C52 H58 Mn2 N4 O11
• Title of publication: <i>catena</i>-Poly[[(4-methylbenzoato-κ<i>O</i>)manganese(II)]-μ-aqua-bis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')[(4-methylbenzoato-κ<i>O</i>)manganese(II)]-bis(μ-<i>N</i>,<i>N</i>-diethylnicotinamide)-κ^2^<i>N</i>^3^:<i>O</i>;<i>O</i>:<i>N</i>^3^]
• Authors of publication: Hökelek, Tuncer; Dal, Hakan; Tercan, Barış; Çimen, Efdal; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m734 - m735
• a: 10.5228 ± 0.0002 Å
• b: 19.1361 ± 0.0003 Å
• c: 26.6008 ± 0.0004 Å
• α: 70.537 ± 0.002°
• β: 78.836 ± 0.003°
• γ: 88.485 ± 0.003°
• Cell volume: 4950.63 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes