Information card for entry 7716352

Structure parameters

• Formula: C44 H74 B2 Fe N12
• Calculated formula: C44 H74 B2 Fe N12
• Title of publication: Disparate reactivity of a chiral iron(II) tetracarbene complex with organic azides.
• Authors of publication: Russell, Jerred J.; DeJesus, Joseph F.; Smith, Brett A.; Nalaoh, Phattananawee; Vogiatzis, Konstantinos D.; Jenkins, David M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 10819 - 10823
• a: 12.1461 ± 0.0005 Å
• b: 15.5599 ± 0.0007 Å
• c: 24.8646 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4699.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No