Information card for entry 2019612

Structure parameters

• Common name: 7226
• Chemical name: <i>catena</i>-Poly[[(18-crown-6)potassium]-μ-[(1,2-η:1,2,3,3a,10a,10b-η)-pyrene]-titanate(I)-μ-[(1,2,3,3a,10a,10b-η:6,7-η)-pyrene]]
• Formula: C44 H44 K O6 Ti
• Calculated formula: C44 H44 K O6 Ti
• Title of publication: Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals
• Authors of publication: Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• a: 10.3934 ± 0.0013 Å
• b: 15.682 ± 0.002 Å
• c: 11.3559 ± 0.0014 Å
• α: 90°
• β: 111.084 ± 0.002°
• γ: 90°
• Cell volume: 1727 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes