Information card for entry 7114818

Structure parameters

• Chemical name: catena-bis(N-3-(4-pyridyl)acrylic acid)-nicekl(II)-bis (μ-isothiocyanato-N,N',S,S')1/2(pyrene)
• Formula: C26 H19 N4 Ni O4 S2
• Calculated formula: C26 H19 N4 Ni O4 S2
• Title of publication: A preparative strategy for supramolecular inclusion compounds by combination of dimer formation of isonicotinic acid and coordination bonding
• Authors of publication: Sekiya, Ryo; Nishikiori, Shin-ichi
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2612
• a: 8.9991 ± 0.0008 Å
• b: 11.044 ± 0.0006 Å
• c: 21.3223 ± 0.0013 Å
• α: 101.551 ± 0.002°
• β: 37.779 ± 0.002°
• γ: 99.392 ± 0.001°
• Cell volume: 1271.89 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.1052
• Goodness-of-fit parameter for all reflections: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No