Information card for entry 4349292

Structure parameters

• Formula: C16 H24 Cl2 N4 O0 Ru
• Calculated formula: C16 H24 Cl2 N4 Ru
• SMILES: C[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(Cl)[N]2CCNC=2C2=[N]1CCN2)C(C)C.[Cl-]
• Title of publication: Dehydrogenation of Formic Acid Catalyzed by a Ruthenium Complex with an N,N'-Diimine Ligand.
• Authors of publication: Guan, Chao; Zhang, Dan-Dan; Pan, Yupeng; Iguchi, Masayuki; Ajitha, Manjaly J.; Hu, Jinsong; Li, Huaifeng; Yao, Changguang; Huang, Mei-Hui; Min, Shixiong; Zheng, Junrong; Himeda, Yuichiro; Kawanami, Hajime; Huang, Kuo-Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 438 - 445
• a: 10.0036 ± 0.0005 Å
• b: 13.3611 ± 0.0007 Å
• c: 13.6771 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.07 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No