Information card for entry 1516788

Structure parameters

• Formula: C78 H66 F12 N12 O5 P2 Zn
• Calculated formula: C66 H44 F12 N8 O4 P2 Zn
• SMILES: [Zn]1234([n]5cc6oc(cc6cc5c5[n]1c(ccc5)c1[n]2cc2oc(cc2c1)c1ccccc1)c1ccccc1)[n]1cc2oc(cc2cc1c1[n]3c(ccc1)c1[n]4cc2oc(cc2c1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• 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: 14.38087 ± 0.00019 Å
• b: 14.4368 ± 0.00017 Å
• c: 19.8 ± 0.0002 Å
• α: 96.8363 ± 0.0009°
• β: 107.786 ± 0.001°
• γ: 91.1601 ± 0.001°
• Cell volume: 3879.48 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No