Information card for entry 8103340

Structure parameters

• Formula: C21 H16 Mn N2 O5
• Calculated formula: C21 H16 Mn N2 O5
• Title of publication: Crystal structure of bis{aqua[m-2-(2-carboxylatophenyl)acetato-k3O1:O3,O4](1,10-phenanthroline-k2N,N')manganese(II)}, [Mn(C9H6O4)(C12H8N2)(H2O)]2
• Authors of publication: Xiao-Ling Li; Ke-Qiang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 135
• a: 8.9125 ± 0.0013 Å
• b: 19.29 ± 0.003 Å
• c: 11.15 ± 0.0016 Å
• α: 90°
• β: 97.992 ± 0.002°
• γ: 90°
• Cell volume: 1898.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No