Information card for entry 2312508

Structure parameters

• Chemical name: Poly[[decaaquabis(μ~3~-benzene-1,3,5-tricarboxylato)calcium(II)dizinc(II)] dihydrate]
• Formula: C18 H30 Ca O24 Zn2
• Calculated formula: C18 H30 Ca O24 Zn2
• Title of publication: Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.
• Authors of publication: Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 6.9927 ± 0.0009 Å
• b: 18.934 ± 0.002 Å
• c: 20.808 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes