Information card for entry 4101481

Structure parameters

• Formula: C15 H22 Cl N Pd
• Calculated formula: C15 H22 Cl N Pd
• SMILES: [Pd]12(Cl)([N](CC)(CC)CC)[CH]3=[CH]1C2c1ccccc31
• 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: 8.7756 ± 0.0001 Å
• b: 13.9797 ± 0.0002 Å
• c: 12.4209 ± 0.0001 Å
• α: 90°
• β: 95.397 ± 0.001°
• γ: 90°
• Cell volume: 1517.04 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No