Information card for entry 7226952

Structure parameters

• Formula: C16 H22 O4 Pd
• Calculated formula: C16 H22 O4 Pd
• SMILES: CC1=[O][Pd]2(OC3=C1CCCC3)[O]=C(C1=C(O2)CCCC1)C
• Title of publication: Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
• Authors of publication: Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 104
• Pages of publication: 102557
• a: 14.4316 ± 0.0005 Å
• b: 6.5451 ± 0.0002 Å
• c: 15.6537 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1478.59 ± 0.08 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No