Information card for entry 7026112

Structure parameters

• Formula: C26 H38 N2 O7 Pd
• Calculated formula: C26 H38 N2 O7 Pd
• SMILES: [Pd]1([N](C)(C)CC[N]21C[C@@H]1C3c4ccccc4C(c4ccccc34)[C@@H]1C2)(OC(=O)C)OC(=O)C.O.O.O
• Title of publication: Unexpected activation of carbon-bromide bond promoted by palladium nanoparticles in Suzuki C-C couplings.
• Authors of publication: Sanhes, Delphine; Raluy, Eva; Rétory, Stéphane; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9719 - 9726
• a: 11.2894 ± 0.0004 Å
• b: 11.9637 ± 0.0005 Å
• c: 20.1191 ± 0.0008 Å
• α: 90°
• β: 101.045 ± 0.002°
• γ: 90°
• Cell volume: 2667.01 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No