Information card for entry 7024780

Structure parameters

• Formula: C26 H41 B2 F8 N3 Ni Ru S2
• Calculated formula: C26 H41 B2 F8 N3 Ni Ru S2
• SMILES: [Ru]1234567([S]8[Ni]9%10[S]1CC[N]%10(CCC[N]9(CC8)C)C)[n]1c(C[c]87[c]2([c]3([c]4([c]5([c]68C)C)C)C)C)cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: The useful properties of H2O as a ligand of a hydrogenase mimic.
• Authors of publication: Zheng, Chunbai; Kim, Kyoungmok; Matsumoto, Takahiro; Ogo, Seiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2218 - 2225
• a: 36.4619 ± 0.0061 Å
• b: 7.8365 ± 0.0011 Å
• c: 21.6651 ± 0.0036 Å
• α: 90°
• β: 101.626 ± 0.0021°
• γ: 90°
• Cell volume: 6063.4 ± 1.7 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No