Information card for entry 7716355

Structure parameters

• Formula: C72 H116 B4 Fe2 N20
• Calculated formula: C72 H116 B4 Fe2 N20
• 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: 11.847 ± 0.003 Å
• b: 12.104 ± 0.003 Å
• c: 16.289 ± 0.005 Å
• α: 105.924 ± 0.008°
• β: 97.804 ± 0.008°
• γ: 98.957 ± 0.008°
• Cell volume: 2179.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No