Information card for entry 7117367

Structure parameters

• Formula: C25 H30 B F4 Fe N3
• Calculated formula: C25 H30 B F4 Fe N3
• SMILES: [Fe]12345678([cH]9[cH]6[c]1(c1n(n[n+](c6c(C(C)C)cccc6C(C)C)c1)C)[cH]2[cH]59)[cH]1[cH]7[cH]3[cH]4[cH]81.[B](F)(F)(F)[F-]
• 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: 8.5466 ± 0.0006 Å
• b: 9.9789 ± 0.0006 Å
• c: 14.7438 ± 0.001 Å
• α: 104.047 ± 0.003°
• β: 91.109 ± 0.004°
• γ: 101.147 ± 0.003°
• Cell volume: 1193.92 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No