Information card for entry 7024122

Structure parameters

• Chemical name: bis[5,5"-bis-(4-methoxy-2,6-dimethylphenyl)- [2,2':6,2"]terpyridine]nickel(II) hexafluorophosphate tri-acetonitrile solvate
• Formula: C72 H71 F12 N9 Ni O4 P2
• Calculated formula: C72 H69.5 F12 N9 Ni 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: 22.0069 ± 0.0003 Å
• b: 25.202 ± 0.0005 Å
• c: 24.8731 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13795.1 ± 0.4 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No