Information card for entry 7707657

Structure parameters

• Formula: C92 H148 Fe2 N6 O4.5 P4
• Calculated formula: C92 H148 Fe2 N6 O4.5 P4
• Title of publication: Double α,α CH bond insertion into sp³ CH₂ moiety: synthesis of a Fe carbene bis-hydride dinitrogen complex.
• Authors of publication: Petit, Julien; Cavaillé, Anthony; Saffon-Merceron, Nathalie; Fustier-Boutignon, Marie; Mézailles, Nicolas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9554 - 9559
• a: 13.3756 ± 0.0011 Å
• b: 15.4294 ± 0.0011 Å
• c: 22.9638 ± 0.0019 Å
• α: 104.573 ± 0.002°
• β: 95.791 ± 0.003°
• γ: 98.177 ± 0.002°
• Cell volume: 4493.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No