Information card for entry 4127897

Structure parameters

• Formula: C36 H54 B Fe N7 O2
• Calculated formula: C36 H54 B Fe N7 O2
• 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: 21.4652 ± 0.0009 Å
• b: 17.9517 ± 0.0008 Å
• c: 9.739 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3752.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections: 0.2152
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No