Information card for entry 7238933

Structure parameters

• Formula: C38 H52 N6 O2 Ru
• Calculated formula: C38 H48 N6 O2 Ru
• Title of publication: Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal
• Authors of publication: Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 7579
• a: 17.7475 ± 0.0006 Å
• b: 11.7784 ± 0.0006 Å
• c: 35.4048 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7400.9 ± 0.5 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No