Information card for entry 4087141

Structure parameters

• Formula: C25 H29 B N P
• Calculated formula: C25 H29 B N P
• SMILES: [P](N1c2ccccc2C(=Cc2ccccc12)c1ccccc1)([BH3])(C(C)(C)C)C
• Title of publication: Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)
• Authors of publication: Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 714
• a: 7.8586 ± 0.0007 Å
• b: 11.9229 ± 0.0009 Å
• c: 12.133 ± 0.0016 Å
• α: 78.522 ± 0.009°
• β: 78.721 ± 0.006°
• γ: 78.902 ± 0.005°
• Cell volume: 1078.54 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No