Information card for entry 7117371

Structure parameters

• Formula: C25 H29 Au Cl Fe N3
• Calculated formula: C25 H29 Au Cl Fe N3
• SMILES: [Au](Cl)c1n(n[n+](c1[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]7[cH]6[cH]51)[cH]2[cH]9[cH]38)C)c1c(C(C)C)cccc1C(C)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: 29.3929 ± 0.0014 Å
• b: 9.2832 ± 0.0004 Å
• c: 17.3954 ± 0.0008 Å
• α: 90°
• β: 90.428 ± 0.002°
• γ: 90°
• Cell volume: 4746.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No