Information card for entry 7717985

Structure parameters

• Chemical name: Ni1
• Formula: C82 H104 N10 Ni O4 S2
• Calculated formula: C82 H104 N10 Ni O4 S2
• Title of publication: Triple-chromic (photo-, thermo-, and mechano-chromic) metal complexes containing <i>N</i>-salicylideneaminopyridine ligands.
• Authors of publication: Sugiyama, Haruki; Arita, Atsuko; Sekine, Akiko; Uekusa, Hidehiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 5668 - 5674
• a: 39.408 ± 0.003 Å
• b: 16.3007 ± 0.0011 Å
• c: 13.0803 ± 0.0008 Å
• α: 90°
• β: 95.388 ± 0.003°
• γ: 90°
• Cell volume: 8365.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No