Information card for entry 2202342

Structure parameters

• Chemical name: Pentapotassium dicitrato(4-)manganate(III) pentahydrate
• Formula: C12 H18 K5 Mn O19
• Calculated formula: C12 H18 K5 Mn O19
• SMILES: [Mn]1234(OC(=O)C(O2)(CC(=O)O1)CC(=O)[O-])OC(=O)C(O3)(CC(=O)O4)CC(=O)[O-].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O
• Title of publication: Pentapotassium dicitrato(4{-})manganate(III) pentahydrate
• Authors of publication: Zhao, Rui; Deng, Yuan-Fu; Zhou, Zhao-Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m666 - m668
• a: 6.8304 ± 0.0004 Å
• b: 9.227 ± 0.0005 Å
• c: 20.197 ± 0.001 Å
• α: 78.294 ± 0.001°
• β: 82.734 ± 0.001°
• γ: 74.892 ± 0.001°
• Cell volume: 1199.69 ± 0.11 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: 0.0786
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes