Information card for entry 7014684

Structure parameters

• Formula: C60 H66 P4 Pd2
• Calculated formula: C60 H66 P4 Pd2
• Title of publication: Self-assembly of neutral and cationic Pd(II) organometallic molecular rectangles: synthesis, characterization and nitroaromatic sensing.
• Authors of publication: Bar, Arun Kumar; Shanmugaraju, Sankarasekaran; Chi, Ki-Whan; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2257 - 2267
• a: 9.935 ± 0.002 Å
• b: 20.917 ± 0.004 Å
• c: 12.996 ± 0.003 Å
• α: 90°
• β: 102.57 ± 0.03°
• γ: 90°
• Cell volume: 2636 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No