Information card for entry 1516783

Structure parameters

• Formula: C61 H51 N7 O6
• Calculated formula: C61 H51 N7 O6
• SMILES: O(c1cnc(c2nc(ccc2)c2ncc(OCOC)c(c2)C#Cc2cnc(cc2)c2ncc(cc2)c2c(cc(OC)cc2C)C)cc1C#Cc1cnc(cc1)c1ncc(cc1)c1c(cc(OC)cc1C)C)COC
• 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: 9.6372 ± 0.0002 Å
• b: 13.2613 ± 0.0002 Å
• c: 20.4245 ± 0.0004 Å
• α: 79.8271 ± 0.0015°
• β: 76.8586 ± 0.0016°
• γ: 86.464 ± 0.0016°
• Cell volume: 2501.34 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0602
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No