Information card for entry 1572023

Structure parameters

• Formula: C104 H96 Cl2 P4 Rh2
• Calculated formula: C104 H96 Cl2 P4 Rh2
• SMILES: [Rh]12([P](c3cc(cc(c3)C)C)(c3cc(cc(c3)C)C)c3ccc4c(cccc4)c3c3c4c(ccc3[P]2(c2cc(C)cc(c2)C)c2cc(cc(c2)C)C)cccc4)[Cl][Rh]2([Cl]1)[P](c1ccc3c(c1c1c4ccccc4ccc1[P]2(c1cc(cc(C)c1)C)c1cc(C)cc(c1)C)cccc3)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Intermolecular C-H silylations of arenes and heteroarenes with mono-, bis-, and tris(trimethylsiloxy)hydrosilanes: control of silane redistribution under operationally diverse approaches.
• Authors of publication: Swann, Noah; Tang, Kiki; Nam, Jihyeon; Lee, Jooyeon; Domin, Marek; Shaw, Thomas E.; Kozimor, Stosh A.; Som, Salina; Lee, Kangsang L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 11912 - 11918
• a: 14.3389 ± 0.0008 Å
• b: 23.8027 ± 0.0013 Å
• c: 24.6313 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8406.8 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No