Information card for entry 4321845

Structure parameters

• Formula: C48 H44 Cl0.5 N12 Pd
• Calculated formula: C40.46 H30.32 Cl0.5 N12 Pd
• Title of publication: Preparation, Spectroscopic Characterization, and Theoretical Study of the [Pd4(dmb)4(PPh3)2]Cl2 Complex (dmb = 1,8-Diisocyano-p-menthane) and Its Organometallic Polymer {[Pd4(dmb)5](CH3CO2)2}n: The First Examples of 58-Electron Linear Pd4 Clusters
• Authors of publication: Tianle Zhang; Marc Drouin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1305 - 1315
• a: 13.314 ± 0.002 Å
• b: 13.49 ± 0.002 Å
• c: 14.645 ± 0.002 Å
• α: 108.267 ± 0.01°
• β: 104.834 ± 0.01°
• γ: 101.221 ± 0.01°
• Cell volume: 2303.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1192
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No