Information card for entry 7105224

Structure parameters

• Common name: H4L 2MeCN
• Formula: C44 H34 N6 O6
• Calculated formula: C44 H34 N6 O6
• Title of publication: Highly efficient regulation of cation recognition and promotion of self-assembly by metalation of a macrocyclic bis(N2O2) ligand with nickel(II).
• Authors of publication: Akine, Shigehisa; Utsuno, Fumihiko; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1029 - 1031
• a: 21.7674 ± 0.0009 Å
• b: 8.3961 ± 0.0004 Å
• c: 20.4083 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3729.8 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No