Information card for entry 7707656

Structure parameters

• Formula: C43 H68 Cl2 Fe N2 O1.5 P2
• Calculated formula: C43 H68 Cl2 Fe N2 O1.5 P2
• 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: 11.0591 ± 0.0004 Å
• b: 11.1758 ± 0.0004 Å
• c: 18.368 ± 0.0007 Å
• α: 80.9776 ± 0.0013°
• β: 77.2074 ± 0.0014°
• γ: 86.6279 ± 0.0014°
• Cell volume: 2185.75 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0828
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No