Information card for entry 4126996

Structure parameters

• Chemical name: trans-Dichlorobis{[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]diphenylphosphine}palladium(II)
• Formula: C154 H140 Cl20 P2 Pd
• Calculated formula: C154 H140 Cl20 P2 Pd
• Title of publication: Superphenylphosphines: Nanographene-based Ligands That Control Coordination Geometry and Drive Supramolecular Assembly.
• Authors of publication: Smith, Jordan Neale; Hook, James M.; Lucas, Nigel T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 15.6602 ± 0.0003 Å
• b: 17.6075 ± 0.0002 Å
• c: 28.2455 ± 0.0005 Å
• α: 94.333 ± 0.001°
• β: 103.992 ± 0.002°
• γ: 101.553 ± 0.001°
• Cell volume: 7340.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0916
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No