Information card for entry 4074830

Structure parameters

• Formula: C105 H82 Cl12 N8 O8 P4 Rh2
• Calculated formula: C100 H72 Cl2 N8 O8 P4 Rh2
• SMILES: [Rh]12([Cl][Rh]3([Cl]1)[P]1(c4ccccc4[P]43[C@@H](c3ccccc3)N3N(C(=O)c5c(C3=O)cccc5)[C@@H]4c3ccccc3)[C@H](N3N(C(=O)c4c(C3=O)cccc4)[C@@H]1c1ccccc1)c1ccccc1)[P]1(c3ccccc3[P]32[C@@H](c2ccccc2)N2N(C(=O)c4c(C2=O)cccc4)[C@@H]3c2ccccc2)[C@H](N2N(C(=O)c3c(C2=O)cccc3)[C@@H]1c1ccccc1)c1ccccc1.[Rh]12([Cl][Rh]3([Cl]1)[P]1(c4ccccc4[P]43[C@H](c3ccccc3)N3N(C(=O)c5c(C3=O)cccc5)[C@H]4c3ccccc3)[C@@H](N3N(C(=O)c4c(C3=O)cccc4)[C@H]1c1ccccc1)c1ccccc1)[P]1(c3ccccc3[P]32[C@H](c2ccccc2)N2N(C(=O)c4c(C2=O)cccc4)[C@H]3c2ccccc2)[C@@H](N2N(C(=O)c3c(C2=O)cccc3)[C@H]1c1ccccc1)c1ccccc1
• 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: 25.768 ± 0.002 Å
• b: 13.8071 ± 0.0012 Å
• c: 33.211 ± 0.003 Å
• α: 90°
• β: 101.197 ± 0.002°
• γ: 90°
• Cell volume: 11590.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1111
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No