Information card for entry 4074832

Structure parameters

• Formula: C56.75 H51.75 Cl5 N4 O4 P2 Pd
• Calculated formula: C51 H39 Cl N4 O4 P2 Pd
• SMILES: [Pd]12(Cl)[P]3([C@H](N4N(C(=O)c5c(C4=O)cccc5)[C@@H]3c3ccccc3)c3ccccc3)c3ccccc3[P@]1(C)[C@H](N1N(C(=O)c3c(C1=O)cccc3)[C@@H]2c1ccccc1)c1ccccc1.[Pd]12(Cl)[P]3([C@@H](N4N(C(=O)c5c(C4=O)cccc5)[C@H]3c3ccccc3)c3ccccc3)c3ccccc3[P@@]1(C)[C@@H](N1N(C(=O)c3c(C1=O)cccc3)[C@H]2c1ccccc1)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: 15.6677 ± 0.001 Å
• b: 21.4096 ± 0.0014 Å
• c: 32.52 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10908.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No