Information card for entry 2235795

Structure parameters

• Common name: L1
• Chemical name: 1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane
• Formula: C32 H24 N6 O2
• Calculated formula: C32 H24 N6 O2
• SMILES: c1ccc(nc1)c1cc(OCCOc2cc(nc(c2)c2ccccn2)c2ccccn2)cc(n1)c1ccccn1
• Title of publication: 1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane
• Authors of publication: Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2384 - o2385
• a: 6.2576 ± 0.0006 Å
• b: 10.0851 ± 0.0009 Å
• c: 10.2388 ± 0.0009 Å
• α: 93.85 ± 0.006°
• β: 98.76 ± 0.006°
• γ: 102.468 ± 0.005°
• Cell volume: 620.2 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes