Information card for entry 7716640

Structure parameters

• Formula: C36 H44.15 N4 Ni O2.08
• Calculated formula: C36 H44.1547 N4 Ni O2.07733
• Title of publication: Oxochlorin frameworks confining a β-hydroxyketone moiety.
• Authors of publication: Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J; Zeller, Matthias; Brückner, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 13142 - 13150
• a: 8.6985 ± 0.001 Å
• b: 14.5755 ± 0.0016 Å
• c: 20.098 ± 0.002 Å
• α: 109.334 ± 0.007°
• β: 97.626 ± 0.008°
• γ: 91.299 ± 0.007°
• Cell volume: 2377.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No