Information card for entry 1516786

Structure parameters

• Formula: C72 H61 F12 Fe N7 O6 P2
• Calculated formula: C62 H38 F12 Fe N6 O4 P2
• SMILES: [Fe]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-]
• 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: 14.2809 ± 0.0002 Å
• b: 15.6419 ± 0.0002 Å
• c: 17.7181 ± 0.0003 Å
• α: 100.41 ± 0.001°
• β: 107.925 ± 0.002°
• γ: 94.131 ± 0.001°
• Cell volume: 3669.16 ± 0.11 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: 0.0777
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No