Information card for entry 4341515

Structure parameters

• Chemical name: Bromo[4-(diphenylphosphino)bencoic acid]gold(I)
• Formula: C20 H16 Au Br Cl3 O2 P
• Calculated formula: C20 H16 Au Br Cl3 O2 P
• SMILES: [Au](Br)[P](c1ccccc1)(c1ccccc1)c1ccc(C(=O)O)cc1.C(Cl)(Cl)Cl
• Title of publication: Peptide Coupling between Amino Acids and the Carboxylic Acid of a Functionalized Chlorido-gold(I)-phosphane.
• Authors of publication: Kriechbaum, Margit; List, Manuela; Himmelsbach, Markus; Redhammer, Günther J; Monkowius, Uwe
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10602 - 10610
• a: 19.3996 ± 0.0018 Å
• b: 15.3683 ± 0.0012 Å
• c: 30.582 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9117.7 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No