Information card for entry 7226953

Structure parameters

• Formula: C15 H25 O2.5 Pd
• Calculated formula: C15 H25 O2.5 Pd
• SMILES: C12=C(CCCC2)C(=[O][Pd]23(O1)[CH2]=[C]2(C3)C(C)(C)C)C.O
• 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: 24.443 ± 0.007 Å
• b: 5.4443 ± 0.0009 Å
• c: 23.838 ± 0.008 Å
• α: 90°
• β: 111.49 ± 0.03°
• γ: 90°
• Cell volume: 2951.7 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No