Information card for entry 4074831

Structure parameters

• Formula: C27 H28 Cl N2 O4 P Pd
• Calculated formula: C27 H28 Cl N2 O4 P Pd
• SMILES: [Pd]12([P@]3(c4ccccc4)[C@H](NN(C(=O)C)[C@@H]3c3c(O)cccc3)c3ccccc3OC(=O)C)(Cl)[CH2]=[CH]1C2.[Pd]12([P@@]3(c4ccccc4)[C@@H](NN(C(=O)C)[C@H]3c3c(O)cccc3)c3ccccc3OC(=O)C)(Cl)[CH2]=[CH]1C2
• 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: 9.5131 ± 0.0003 Å
• b: 10.7018 ± 0.0004 Å
• c: 13.63 ± 0.0005 Å
• α: 86.154 ± 0.001°
• β: 83.448 ± 0.001°
• γ: 81.095 ± 0.001°
• Cell volume: 1360.23 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No