Information card for entry 4345062

Structure parameters

• Formula: C36 H50 B2 F11 Fe2 N8
• Calculated formula: C36 H50 B2 F11 Fe2 N8
• SMILES: [Fe]1234([F][Fe]567(F)[N](CC[N]2(CC[N]3(Cc2[n]4c(ccc2)C)Cc2[n]1c(ccc2)C)C)(CC[N]7(Cc1[n]6c(ccc1)C)Cc1[n]5c(ccc1)C)C)F.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: A Mixed-Valence Fluorido-Bridged Fe(II)Fe(III) Complex.
• Authors of publication: Dammers, Susanne; Zimmermann, Thomas Philipp; Walleck, Stephan; Stammler, Anja; Bögge, Hartmut; Bill, Eckhard; Glaser, Thorsten
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1779 - 1782
• a: 12.0551 ± 0.0007 Å
• b: 14.0115 ± 0.0008 Å
• c: 23.6059 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3987.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No