Information card for entry 4339318

Structure parameters

• Formula: C54 H45 B N6 Ru S
• Calculated formula: C54 H45 B N6 Ru S
• SMILES: [Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)([n]1ccccc1)Sc1ncccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Novel 2-mercaptopyridine-ruthenium complex exhibiting electrochemically induced linkage isomerization switched on/off by protolysis.
• Authors of publication: Hamaguchi, Tomohiko; Ujimoto, Kikujiro; Ando, Isao
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10455 - 10457
• a: 33.696 ± 0.01 Å
• b: 9.513 ± 0.003 Å
• c: 30.793 ± 0.008 Å
• α: 90°
• β: 115.828 ± 0.004°
• γ: 90°
• Cell volume: 8885 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No