Information card for entry 4127895

Structure parameters

• Formula: C29 H41 B F Fe N6 O0.5
• Calculated formula: C29 H41 B F Fe N6 O0.5
• Title of publication: Strong π-Backbonding Enables Record Magnetic Exchange Coupling Through Cyanide.
• Authors of publication: Valdez-Moreira, Juan A; Thorarinsdottir, Agnes E.; DeGayner, Jordan A.; Lutz, Sean A.; Chen, Chun-Hsing; Losovyj, Yaroslav; Pink, Maren; Harris, T. David; Smith, Jeremy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17092 - 17097
• a: 10.5503 ± 0.0009 Å
• b: 12.1072 ± 0.001 Å
• c: 13.3222 ± 0.0011 Å
• α: 65.534 ± 0.004°
• β: 75.342 ± 0.004°
• γ: 83.721 ± 0.004°
• Cell volume: 1498.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0625
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No