Information card for entry 4347839

Structure parameters

• Formula: C44 H47 Au2 Cl4 N2 P
• Calculated formula: C44 H47 Au2 Cl4 N2 P
• SMILES: C(c1ccccc1)(c1ccccc1)[P](C1=CN(C(N1c1c(C)cc(C)cc1C)=[Au]Cl)c1c(C)cc(C)cc1C)(c1c(C)cc(C)cc1C)[Au]Cl.C(Cl)Cl
• Title of publication: Homo- and Heteropolynuclear Complexes Containing Bidentate Bridging 4-Phosphino-N-Heterocyclic Carbene Ligands.
• Authors of publication: Han, Zeyu; Bates, Joshua I.; Strehl, Dominik; Patrick, Brian O.; Gates, Derek P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 5071 - 5078
• a: 15.736 ± 0.0006 Å
• b: 17.9229 ± 0.0005 Å
• c: 16.645 ± 0.0006 Å
• α: 90°
• β: 113.592 ± 0.001°
• γ: 90°
• Cell volume: 4302.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No