Information card for entry 2312838

Structure parameters

• Chemical name: bis-(hydrogenmaleate)tetraaquairon(II)
• Formula: C8 H14 Fe O12
• Calculated formula: C8 H14 Fe0.5 O12
• 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: 5.20542 ± 0.00004 Å
• b: 7.32708 ± 0.00005 Å
• c: 9.24798 ± 0.00006 Å
• α: 108.873 ± 0.0006°
• β: 105.572 ± 0.0006°
• γ: 92.2943 ± 0.0006°
• Cell volume: 318.38 ± 0.004 ų
• Cell temperature: 100 ± 0.3 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: 0.02
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections included in the refinement: 0.023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No