Information card for entry 2312571

Structure parameters

• Chemical name: Tetraaquabis(3-carboxypropionato)nickel(II)
• Formula: C8 H14 Ni O12
• Calculated formula: C8 H14 Ni 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: 5.178 ± 0.0002 Å
• b: 7.3254 ± 0.0002 Å
• c: 9.1449 ± 0.0004 Å
• α: 108.423 ± 0.003°
• β: 104.583 ± 0.003°
• γ: 92.929 ± 0.003°
• Cell volume: 315.25 ± 0.02 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: 0.0209
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1641
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes