Information card for entry 2312569

Structure parameters

• Chemical name: Tetraaquabis(3-carboxypropionato)manganese(II)
• Formula: C8 H14 Mn O12
• Calculated formula: C8 H14 Mn O12
• Title of publication: Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
• Authors of publication: Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 5.3263 ± 0.0002 Å
• b: 7.3743 ± 0.0004 Å
• c: 9.3688 ± 0.0004 Å
• α: 109.863 ± 0.004°
• β: 104.606 ± 0.004°
• γ: 93.344 ± 0.004°
• Cell volume: 330.69 ± 0.03 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1693
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes