Information card for entry 4064750

Structure parameters

• Formula: C31.5 H23 Cl2 N O3 P Pd Re
• Calculated formula: C31.5 H23 Cl2 N O3 P Pd Re
• Title of publication: A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand
• Authors of publication: Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5578
• a: 37.933 ± 0.003 Å
• b: 9.1354 ± 0.0007 Å
• c: 19.5917 ± 0.0016 Å
• α: 90°
• β: 116.801 ± 0.001°
• γ: 90°
• Cell volume: 6059.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No