Information card for entry 4081151

Structure parameters

• Formula: C44 H56 B P Ru S
• Calculated formula: C44 H56 B P Ru S
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]1723456CC(C[P]1(C(C)C)C(C)C)[S]7C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions
• Authors of publication: Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4342
• a: 14.676 ± 0.005 Å
• b: 16.334 ± 0.005 Å
• c: 19.443 ± 0.005 Å
• α: 112.771 ± 0.005°
• β: 110.916 ± 0.005°
• γ: 92.817 ± 0.005°
• Cell volume: 3918 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No