Information card for entry 2201989

Structure parameters

• Chemical name: 1,3-di(2,2':6',2''-terpyridin-4'-yl)benzene dichloromethane solvate
• Formula: C37 H26 Cl2 N6
• Calculated formula: C37 H26 Cl2 N6
• Title of publication: 1,3-Bis(2,2':6',2''-terpyridin-4'-yl)benzene, a new dinucleating bis(tridentate) ligand, as its dichloromethane solvate
• Authors of publication: Vaduvescu, Simona; Potvin, Pierre G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o483 - o484
• a: 8.0259 ± 0.0016 Å
• b: 18.111 ± 0.004 Å
• c: 20.59 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2992.9 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes