Information card for entry 7022411

Structure parameters

• Formula: C31 H36 N Ni O6 S10
• Calculated formula: C31 H36 N Ni O6 S10
• Title of publication: Molecular motion in pyridazinium/crown ether supramolecular cation salts of a nickel dithiolene complex.
• Authors of publication: Liu, Zun-qi; Kubo, Kazuya; Lin, Li; Hoshino, Norihisa; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2930 - 2939
• a: 12.5975 ± 0.0008 Å
• b: 13.2469 ± 0.001 Å
• c: 13.566 ± 0.0008 Å
• α: 67.251 ± 0.002°
• β: 81.311 ± 0.002°
• γ: 78.049 ± 0.002°
• Cell volume: 2036.2 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 296 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No