Information card for entry 2312837

Structure parameters

• Formula: C4 H7 Fe0.5 O6
• Calculated formula: C4 H7 Fe0.5 O6
• Title of publication: Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II).
• Authors of publication: Ferreira Guimarães, Hellen; Lages Rodrigues, Bernardo
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 3
• a: 5.2066 ± 0.0001 Å
• b: 7.3264 ± 0.0001 Å
• c: 9.2475 ± 0.0001 Å
• α: 108.907 ± 0.001°
• β: 105.498 ± 0.001°
• γ: 92.31 ± 0.001°
• Cell volume: 318.455 ± 0.009 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0116
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No