Information card for entry 4109823

Structure parameters

• Formula: C52 H80 N2 P4 Pd2
• Calculated formula: C52 H80 N2 P4 Pd2
• SMILES: N12[Pd]([P](c3cc(ccc13)C)(C(C)C)C(C)C)([P](c1c2ccc(c1)C)(C(C)C)C(C)C)[Pd]12N(c3c([P]1(C(C)C)C(C)C)cc(cc3)C)c1ccc(cc1[P]2(C(C)C)C(C)C)C
• Title of publication: Addition of Ammonia, Water, and Dihydrogen Across a Single Pd-Pd Bond
• Authors of publication: Claudia M. Fafard; Debashis Adhikari; Bruce M. Foxman; Daniel J. Mindiola; Oleg V. Ozerov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10318 - 10319
• a: 11.2634 ± 0.0005 Å
• b: 13.24 ± 0.0006 Å
• c: 16.9092 ± 0.0008 Å
• α: 83.795 ± 0.002°
• β: 86.868 ± 0.002°
• γ: 85.173 ± 0.002°
• Cell volume: 2495.3 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No