Information card for entry 2312563

Structure parameters

• Chemical name: μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(acetonitrile-κ<i>N</i>)[3,3'-bis(pyridin-2-yl)-1,1'-(methylidene)bis(benzimidazol-2-ylidene)]iron(II) tris(hexafluorophosphate),
• Formula: C55 H42 F18 Fe2 N15 P3
• Calculated formula: C55 H42 F18 Fe2 N15 P3
• Title of publication: Formation of a diiron-(μ-η¹:η¹-CN) complex from acetonitrile solution.
• Authors of publication: Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 25.562 ± 0.002 Å
• b: 17.0373 ± 0.0015 Å
• c: 14.8998 ± 0.0012 Å
• α: 90°
• β: 112.112 ± 0.003°
• γ: 90°
• Cell volume: 6011.7 ± 0.9 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: 0.0389
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No