Information card for entry 4335769

Structure parameters

• Formula: C94 H82 Cl2 N4 P6 Pd3
• Calculated formula: C94 H82 Cl2 N4 P6 Pd3
• Title of publication: Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation
• Authors of publication: Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9583 - 9589
• a: 13.2864 ± 0.0009 Å
• b: 24.412 ± 0.0015 Å
• c: 24.7493 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8027.4 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No