Information card for entry 7718493

Structure parameters

• Formula: C100 H76 Cl4 N24 Ni4 S4
• Calculated formula: C100 H76 Cl4 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: 25.272 ± 0.012 Å
• b: 15.952 ± 0.007 Å
• c: 26.734 ± 0.013 Å
• α: 90°
• β: 95.04 ± 0.017°
• γ: 90°
• Cell volume: 10736 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2624
• Residual factor for significantly intense reflections: 0.1444
• Weighted residual factors for significantly intense reflections: 0.3672
• Weighted residual factors for all reflections included in the refinement: 0.4494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No