Information card for entry 4000123

Structure parameters

• Common name: Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with toluene 1:1
• Chemical name: Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with toluene 1:1
• Formula: C59 H48 N2 Ni O4
• Calculated formula: C59.161 H48.184 N2 Ni O4
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 11.295 ± 0.002 Å
• b: 13.77 ± 0.002 Å
• c: 16.376 ± 0.003 Å
• α: 81.27 ± 0.01°
• β: 69.95 ± 0.01°
• γ: 75.4 ± 0.01°
• Cell volume: 2309.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No