Information card for entry 4344541

Structure parameters

• Common name: H4L_2MeCN
• Formula: C44 H34 N6 O6
• Calculated formula: C44 H34 N6 O6
• Title of publication: Synthesis, Ion Recognition Ability, and Metal-Assisted Aggregation Behavior of Dinuclear Metallohosts Having a Bis(Saloph) Macrocyclic Ligand.
• Authors of publication: Akine, Shigehisa; Utsuno, Fumihiko; Piao, Shunjin; Orita, Hideo; Tsuzuki, Seiji; Nabeshima, Tatsuya
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 810 - 821
• 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