Information card for entry 4072121

Structure parameters

• Formula: C61 H46 Au4 Cl2 Fe2 N4 O4
• Calculated formula: C61 H46 Au4 Cl2 Fe2 N4 O4
• Title of publication: Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior
• Authors of publication: Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6419
• a: 8.4412 ± 0.0012 Å
• b: 11.8387 ± 0.0018 Å
• c: 14.197 ± 0.002 Å
• α: 87.29 ± 0.012°
• β: 81.08 ± 0.011°
• γ: 84.569 ± 0.012°
• Cell volume: 1394.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No