Information card for entry 2243208

Structure parameters

• Chemical name: 1,4-Bis([2,2':6',2''-terpyridin]-4'-yl)benzene
• Formula: C36 H24 N6
• Calculated formula: C36 H24 N6
• SMILES: c1(cc(cc(n1)c1ncccc1)c1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1)c1ccccn1
• Title of publication: The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene
• Authors of publication: Sedykh, Alexander E.; Kurth, Dirk G.; Müller-Buschbaum, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 1947 - 1951
• a: 7.312 ± 0.002 Å
• b: 8.847 ± 0.003 Å
• c: 11.039 ± 0.003 Å
• α: 100.05 ± 0.007°
• β: 102.247 ± 0.006°
• γ: 104.314 ± 0.007°
• Cell volume: 656.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes