Information card for entry 4108191

Structure parameters

• Formula: C37 H32 B Cl N8 P Ru
• Calculated formula: C37 H32 B Cl N8 P Ru
• SMILES: [Ru]1234(Cl)([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]2ccc1)[n]1c(C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C]4#[N]3)cccc1.c1ccccc1
• Title of publication: N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species
• Authors of publication: Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10508 - 10509
• a: 15.9983 ± 0.001 Å
• b: 13.3268 ± 0.0007 Å
• c: 16.9705 ± 0.0011 Å
• α: 90°
• β: 100.218 ± 0.001°
• γ: 90°
• Cell volume: 3560.8 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No