Information card for entry 4335766

Structure parameters

• Formula: C80 H72 N4 O P6 Pd2
• Calculated formula: C80 H72 N4 O P6 Pd2
• 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: 12.9704 ± 0.0004 Å
• b: 34.0785 ± 0.0012 Å
• c: 16.6454 ± 0.0006 Å
• α: 90°
• β: 105.28 ± 0.002°
• γ: 90°
• Cell volume: 7097.4 ± 0.4 ų
• Cell temperature: 135 K
• Ambient diffraction temperature: 135 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No