Information card for entry 4072122

Structure parameters

• Formula: C58 H46 Au2 Fe3 P2
• Calculated formula: C58 H46 Au2 Fe3 P2
• SMILES: [P]([Au]C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([c]12[Fe]3456789([c]%10([P]([Au]C#C[c]%11%12[cH]%13[cH]%14[cH]%15[cH]%11[Fe]%11%16%17%18%12%13%14%15[cH]%12[cH]%11[cH]%16[cH]%17[cH]%18%12)(c%11ccccc%11)c%11ccccc%11)[cH]3[cH]5[cH]7[cH]9%10)[cH]1[cH]4[cH]6[cH]28)(c1ccccc1)c1ccccc1
• 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: 14.6431 ± 0.0008 Å
• b: 11.779 ± 0.0005 Å
• c: 27.4725 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4738.5 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No