Information card for entry 7217823

Structure parameters

• Formula: C32 H41 Cl2 N2 O Pd Se
• Calculated formula: C32 H41 Cl2 N2 O Pd Se
• SMILES: c1ccccc1[Se]1CC[NH](Cc2cc(cc(c2OCc2ccccc2)C(C)(C)C)C(C)(C)C)[Pd]1(Cl)Cl.CC#N
• Title of publication: Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling
• Authors of publication: Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 12.3315 ± 0.0005 Å
• b: 10.4554 ± 0.0004 Å
• c: 26.1643 ± 0.001 Å
• α: 90°
• β: 97.856 ± 0.004°
• γ: 90°
• Cell volume: 3341.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No