Information card for entry 7117372

Structure parameters

• Formula: C22 H23 Au Cl Fe N3
• Calculated formula: C22 H23 Au Cl Fe N3
• SMILES: [Au](Cl)c1[n+](nn(C)c1[c]12[Fe]3456789([cH]1[cH]4[cH]3[cH]27)[cH]1[cH]9[cH]8[cH]6[cH]51)c1c(cc(C)cc1C)C
• Title of publication: Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis
• Authors of publication: Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10949
• a: 24.435 ± 0.005 Å
• b: 7.515 ± 0.005 Å
• c: 11.492 ± 0.005 Å
• α: 90°
• β: 93.546 ± 0.005°
• γ: 90°
• Cell volume: 2106.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No