Information card for entry 7716802

Structure parameters

• Formula: C86 H80 N18 O6
• Calculated formula: C86 H80 N18 O6
• Title of publication: Novel ligands from direct benzylic functionalisation of tris(2-pyridylmethyl)amine.
• Authors of publication: Zardi, Paolo; Piękoś, A, Justyna; Bravin, Carlo; Wurst, Klaus; Droghetti, Federico; Natali, Mirco; Licini, Giulia; Zambon, Alfonso; Zonta, Cristiano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 13831 - 13836
• a: 10.9097 ± 0.0004 Å
• b: 12.2695 ± 0.0005 Å
• c: 15.0501 ± 0.0006 Å
• α: 83.649 ± 0.002°
• β: 74.346 ± 0.002°
• γ: 80.176 ± 0.002°
• Cell volume: 1906.95 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No