Information card for entry 4307033

Structure parameters

• Formula: C26 H48 N4 Ni O2 S4
• Calculated formula: C26 H48 N4 Ni O2 S4
• Title of publication: Syntheses and Unusual Segregated-Alternated Hybrid Stacking Structure of Hydrogen-Bonded Charge-Transfer Complexes Composed of Bis[2,3-pyridinedithiolate]metal Complexes
• Authors of publication: Sota Shibahara; Hiroshi Kitagawa; Yoshiki Ozawa; Koshiro Toriumi; Takashi Kubo; Kazuhiro Nakasuji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1162 - 1170
• a: 30.74 ± 0.01 Å
• b: 14.53 ± 0.01 Å
• c: 14.246 ± 0.007 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 6361 ± 6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No