Information card for entry 7115706

Structure parameters

• Formula: C44 H35 Br N2 O2 P2 Pd
• Calculated formula: C44 H35 Br N2 O2 P2 Pd
• SMILES: Br[Pd](C1=N(=NOC1=O)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Sydnone anions and abnormal N-heterocyclic carbenes of O-ethylsydnones. Characterizations, calculations and catalyses
• Authors of publication: Sascha Wiechmann; Tyll Freese; Martin H. H. Drafz; Eike G. Hubner; Jan C. Namyslo; Martin Nieger; Andreas Schmidt
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11822
• a: 11.8099 ± 0.0009 Å
• b: 17.9947 ± 0.0014 Å
• c: 17.1796 ± 0.0007 Å
• α: 90°
• β: 100.544 ± 0.007°
• γ: 90°
• Cell volume: 3589.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No