Information card for entry 1516787

Structure parameters

• Formula: C76 H67 F12 N9 O6 P2 Ru
• Calculated formula: C64 H41 F12 N7 O4 P2 Ru
• SMILES: [Ru]1234([n]5c(cc6cc(oc6c5)c5ccccc5)c5[n]1c(ccc5)c1[n]2cc2oc(cc2c1)c1ccccc1)[n]1c(cc2cc(oc2c1)c1ccccc1)c1[n]3c(ccc1)c1[n]4cc2oc(cc2c1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].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: 14.138 ± 0.005 Å
• b: 14.332 ± 0.005 Å
• c: 19.077 ± 0.005 Å
• α: 91.222 ± 0.005°
• β: 108.825 ± 0.005°
• γ: 93.257 ± 0.005°
• Cell volume: 3650 ± 2 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: 0.1017
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No