Information card for entry 4126998

Structure parameters

• Chemical name: trans-Dichlorobis{tris[5,8,11,14,17-penta(tert-butyl)hexa-peri- hexabenzocoronen-2-yl]phosphine}palladium(II)
• Formula: C372 H342 Cl2 P2 Pd
• Calculated formula: C372 H342 Cl2 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: 25.0905 ± 0.0015 Å
• b: 25.279 ± 0.002 Å
• c: 37.6216 ± 0.0016 Å
• α: 70.558 ± 0.006°
• β: 89.426 ± 0.004°
• γ: 64.192 ± 0.007°
• Cell volume: 20000 ± 3 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: 0.204
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2621
• Weighted residual factors for all reflections included in the refinement: 0.3294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No