Information card for entry 7022412

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: 12.3282 ± 0.0007 Å
• b: 13.1671 ± 0.0008 Å
• c: 13.5519 ± 0.0007 Å
• α: 67.4445 ± 0.0018°
• β: 81.0005 ± 0.0016°
• γ: 77.229 ± 0.002°
• Cell volume: 1975 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No