Information card for entry 7718492

Structure parameters

• Formula: C100 H72 N24 Ni4 S4
• Calculated formula: C100 H72 N24 Ni4 S4
• Title of publication: Self-assembled nickel(II)-centered metal-organic square grid complexes for CO₂ sensing.
• Authors of publication: Sooraj, M.; Jayakrishnan, R.; Manoj, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 6922 - 6934
• a: 18.1752 ± 0.0016 Å
• b: 15.9826 ± 0.0016 Å
• c: 19.995 ± 0.002 Å
• α: 90°
• β: 91.536 ± 0.008°
• γ: 90°
• Cell volume: 5806.2 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No