Information card for entry 7043675

Structure parameters

• Formula: C23 H18 Au Cl Fe N P
• Calculated formula: C23 H18 Au Cl Fe N P
• Title of publication: Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes
• Authors of publication: Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.4598 ± 0.0001 Å
• b: 18.9243 ± 0.0003 Å
• c: 12.8116 ± 0.0002 Å
• α: 90°
• β: 94.3304 ± 0.0006°
• γ: 90°
• Cell volume: 2045.23 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No