Information card for entry 7057480

Structure parameters

• Formula: C54 H52 Au Cl Fe2 N2 O6 P2
• Calculated formula: C54 H52 Au Cl Fe2 N2 O6 P2
• Title of publication: Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline
• Authors of publication: Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11450
• a: 14.6573 ± 0.0006 Å
• b: 19.9271 ± 0.0007 Å
• c: 16.6591 ± 0.0007 Å
• α: 90°
• β: 94.443 ± 0.002°
• γ: 90°
• Cell volume: 4851.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No