Information card for entry 4074828

Structure parameters

• Formula: C35 H29 Cl N2 O5 P Rh
• Calculated formula: C31 H25 Cl N2 O4 P Rh
• SMILES: [Rh]123(Cl)([P]4(c5ccccc5)[C@@H](N5N(C(=O)c6c(C5=O)cccc6)[C@H]4c4occc4)c4occc4)[CH]4=[CH]1C1CC4[CH]2=[CH]31.[Rh]123(Cl)([P]4(c5ccccc5)[C@H](N5N(C(=O)c6c(C5=O)cccc6)[C@@H]4c4occc4)c4occc4)[CH]4=[CH]1C1CC4[CH]2=[CH]31
• 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: 14.5786 ± 0.0006 Å
• b: 15.7776 ± 0.0007 Å
• c: 15.0241 ± 0.0006 Å
• α: 90°
• β: 115.443 ± 0.001°
• γ: 90°
• Cell volume: 3120.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No