Information card for entry 7041991

Structure parameters

• Formula: C58 H45 Cl2 O P2 Rh
• Calculated formula: C58 H45 Cl2 O P2 Rh
• SMILES: [Rh]123456([P](C7c8ccccc8[CH]6=[CH]2c2c7cccc2)(C2c6c([CH]1=[CH]3c1ccccc21)cccc6)C1c2c(cccc2)[CH]5=[CH]4c2c1cccc2)P(=O)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Oxidative formation of phosphinyl radicals from a trigonal pyramidal terminal phosphide Rh(i) complex, with an unusually long Rh-P bond.
• Authors of publication: Fischbach, Urs; Trincado, M.; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3443 - 3448
• a: 11.5568 ± 0.0008 Å
• b: 17.6715 ± 0.0012 Å
• c: 22.3047 ± 0.0015 Å
• α: 90°
• β: 99.327 ± 0.001°
• γ: 90°
• Cell volume: 4495 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No