Information card for entry 1504411

Structure parameters

• Formula: C18 H15 Au Cl P
• Calculated formula: C18 H15 Au Cl P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.
• Authors of publication: Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 46
• Pages of publication: 11519 - 11522
• a: 10.1077 ± 0.0002 Å
• b: 12.2492 ± 0.0004 Å
• c: 12.9943 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1608.84 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No