Information card for entry 7117370

Structure parameters

• Formula: C22 H24 B F4 Fe N3
• Calculated formula: C22 H24 B F4 Fe N3
• SMILES: [Fe]12345678([c]9(c%10n(n[n+](c%10)c%10c(cc(cc%10C)C)C)C)[cH]2[cH]1[cH]6[cH]59)[cH]1[cH]3[cH]4[cH]7[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: 9.213 ± 0.005 Å
• b: 9.618 ± 0.005 Å
• c: 47.215 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4184 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.1331
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No