Information card for entry 7024115

Structure parameters

• Chemical name: bis{8-(4-methoxy-2,6-dimethylphenyl)-2-[5-(4-methoxy-2,6- dimethylphenyl)-pyridin-2-yl]-1,10-phenanthroline}copper(II) hexafluorophosphate di-acetonitrile solvate
• Formula: C74 H68 Cu F12 N8 O4 P2
• Calculated formula: C74 H68 Cu F12 N8 O4 P2
• Title of publication: Manisyl-substituted polypyridine coordination compounds: Metallo-supramolecular networks of interdigitated double helices assembled via CH...pi and pi-pi interactions.
• Authors of publication: Klosterman, Jeremy K.; Linden, Anthony; Frantz, Derik K.; Siegel, Jay S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1519 - 1531
• a: 24.9866 ± 0.0003 Å
• b: 12.9263 ± 0.0002 Å
• c: 21.9263 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7081.85 ± 0.17 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No