Information card for entry 4107474

Structure parameters

• Formula: C85 H68 B Cl2 F24 Ge P Ru S
• Calculated formula: C85 H68 B Cl2 F24 Ge P Ru S
• SMILES: [Ru]1234567([H][Ge](S1)(c1c(cccc1c1c(cc(cc1C)C)C)[c]12[c]3([cH]4[c]5([cH]6[c]71C)C)C)c1c(cccc1CC)CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: A Functional Hydrogenase Model: Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex
• Authors of publication: Tsuyoshi Matsumoto; Yukiko Nakaya; Naohisa Itakura; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2458 - 2459
• a: 15.8848 ± 0.0014 Å
• b: 16.5788 ± 0.0011 Å
• c: 16.9656 ± 0.0013 Å
• α: 90.6916 ± 0.0018°
• β: 108.532 ± 0.003°
• γ: 106.966 ± 0.003°
• Cell volume: 4024.7 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No