Information card for entry 1516785

Structure parameters

• Formula: C31 H19 N3 O2
• Calculated formula: C31 H19 N3 O2
• SMILES: o1c(cc2cc(ncc12)c1nc(ccc1)c1ncc2oc(cc2c1)c1ccccc1)c1ccccc1
• Title of publication: Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks
• Authors of publication: Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 4317
• a: 30.3556 ± 0.0006 Å
• b: 5.611 ± 0.0001 Å
• c: 13.1495 ± 0.0002 Å
• α: 90°
• β: 92.9605 ± 0.0012°
• γ: 90°
• Cell volume: 2236.7 ± 0.07 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No