Information card for entry 4072119

Structure parameters

• Formula: C30 H16 Au2 F6 Fe N2
• Calculated formula: C30 H16 Au2 F6 Fe N2
• SMILES: C([Au]C#Cc1ccc(cc1)C(F)(F)F)#[N][c]12[cH]3[cH]4[Fe]5678913([c]1([cH]5[cH]6[cH]9[cH]81)[N]#C[Au]C#Cc1ccc(cc1)C(F)(F)F)[cH]2[cH]47
• 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: 11.4667 ± 0.0013 Å
• b: 8.5646 ± 0.0008 Å
• c: 14.1478 ± 0.0016 Å
• α: 90°
• β: 98.271 ± 0.009°
• γ: 90°
• Cell volume: 1375 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No