Information card for entry 2235081

Structure parameters

• Chemical name: Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate
• Formula: C38 H29 Mn N4 O9.5
• Calculated formula: C38 H29 Mn N4 O9.5
• Title of publication: Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate
• Authors of publication: Li, Quanwei; He, Li; Jin, Hongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m798
• a: 30.0648 ± 0.0007 Å
• b: 8.2468 ± 0.0002 Å
• c: 27.3311 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6776.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes