Information card for entry 4088526

Structure parameters

• Formula: C50 H76 Cl2 P4 Rh2
• Calculated formula: C50 H76 Cl2 P4 Rh2
• SMILES: [RhH]123([Cl][Rh]4([Cl]1)[P](c1c(Cc5c([P]4(C(C)C)C(C)C)cccc5)cccc1)(C(C)C)C(C)C)[P](c1c(C3c3c([P]2(C(C)C)C(C)C)cccc3)cccc1)(C(C)C)C(C)C
• Title of publication: Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium
• Authors of publication: Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1279
• a: 19.2923 ± 0.0005 Å
• b: 15.5647 ± 0.0005 Å
• c: 17.7431 ± 0.0004 Å
• α: 90°
• β: 93.648 ± 0.002°
• γ: 90°
• Cell volume: 5317.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No