Information card for entry 7034588

Structure parameters

• Formula: C36 H50 B2 Cl4 N4 O4 Pd2
• Calculated formula: C36 H50 B2 Cl4 N4 O4 Pd2
• SMILES: c1(ccccc1)N1C(N(C=C1)CCCB1OC(C(C)(C)O1)(C)C)=[Pd]1(Cl)[Cl][Pd](=C2N(c3ccccc3)C=CN2CCCB2OC(C(C)(C)O2)(C)C)(Cl)[Cl]1
• Title of publication: Synthesis and structure of Ag(i), Pd(ii), Rh(i), Ru(ii) and Au(i) NHC-complexes with a pendant Lewis acidic boronic ester moiety.
• Authors of publication: Toure, Momar; Chuzel, Olivier; Parrain, Jean-Luc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7139 - 7143
• a: 12.4975 ± 0.0002 Å
• b: 29.8395 ± 0.0006 Å
• c: 13.2162 ± 0.0002 Å
• α: 90°
• β: 101.059 ± 0.002°
• γ: 90°
• Cell volume: 4837.05 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1221
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No