Information card for entry 4074827

Structure parameters

• Formula: C36 H31 Cl3 F0 N2 O2 P Rh
• Calculated formula: C36 H31 Cl3 N2 O2 P Rh
• SMILES: [Rh]123(Cl)([P]4([C@H](N5N([C@@H]4c4ccccc4)C(=O)c4c(C5=O)cccc4)c4ccccc4)c4ccccc4)[CH]4C5[CH]1=[CH]2C(C5)[CH]3=4.ClCCl.[Rh]123(Cl)([P]4([C@@H](N5N([C@H]4c4ccccc4)C(=O)c4c(C5=O)cccc4)c4ccccc4)c4ccccc4)[CH]4C5[CH]1=[CH]2C(C5)[CH]3=4.ClCCl
• Title of publication: Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
• Authors of publication: Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1377 - 1391
• a: 21.86 ± 0.003 Å
• b: 9.3627 ± 0.0012 Å
• c: 16.269 ± 0.002 Å
• α: 90°
• β: 99.573 ± 0.002°
• γ: 90°
• Cell volume: 3283.4 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No