Information card for entry 8103273

Structure parameters

• Formula: C14 H24 Mn N4 O13
• Calculated formula: C14 H24 Mn N4 O13
• Title of publication: Crystal structure of diaquabis(2-ethyl-4-carboxylato-5-carboxy-1H-imidazole-k2N3,O4)manganese(II) — water (1:3), [Mn(H2O)2(C7H7N2O4)2] · 3H2O
• Authors of publication: Cheng-Jun Hao; Hui Xie; De-Yong Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 77
• a: 7.292 ± 0.0008 Å
• b: 8.964 ± 0.0011 Å
• c: 9.51 ± 0.0014 Å
• α: 64.269 ± 0.001°
• β: 88.749 ± 0.002°
• γ: 71.84 ± 0.001°
• Cell volume: 527.4 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No