Information card for entry 2312142

Structure parameters

• Chemical name: bis-(hydrogenmaleate)tetraaquanickel(II)
• Formula: C8 H14 Ni O12
• Calculated formula: C8 H14 Ni0.5 O12
• Title of publication: Experimental charge density and topological analysis of tetraaquabis(hydrogenmaleato)nickel(II): a comparison with Hirshfeld atom refinement.
• Authors of publication: Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 4
• a: 5.1335 ± 0.0001 Å
• b: 7.2734 ± 0.0001 Å
• c: 9.1031 ± 0.0001 Å
• α: 107.952 ± 0.001°
• β: 105.18 ± 0.001°
• γ: 92.139 ± 0.001°
• Cell volume: 309.472 ± 0.009 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 2 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: 0.021
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for all reflections included in the refinement: 0.017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes