Information card for entry 4087747

Structure parameters

• Formula: C29 H39 N P2 Pd
• Calculated formula: C29 H39 N P2 Pd
• SMILES: [Pd]12[P](c3c(c4[cH]2c(cnc4)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C
• Title of publication: Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to π-Coordinated Pyridine Diphosphine Ligands
• Authors of publication: Horak, Kyle T.; VanderVelde, David G.; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4753
• a: 8.6112 ± 0.0007 Å
• b: 17.8635 ± 0.0016 Å
• c: 8.8154 ± 0.0011 Å
• α: 90°
• β: 99.464 ± 0.004°
• γ: 90°
• Cell volume: 1337.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No