Information card for entry 4101487

Structure parameters

• Formula: C25 H42 Cl2 N P Pd
• Calculated formula: C25 H42 Cl2 N P Pd
• SMILES: [Pd](Cl)(Cl)([NH2]Cc1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.
• Authors of publication: Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6508 - 6519
• a: 17.0179 ± 0.0002 Å
• b: 9.4258 ± 0.0001 Å
• c: 18.1497 ± 0.0003 Å
• α: 90°
• β: 115.208 ± 0.001°
• γ: 90°
• Cell volume: 2634.09 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0324
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No