Information card for entry 7112408

Structure parameters

• Formula: C29 H38 Fe N6 O2
• Calculated formula: C29 H38 Fe N6 O2
• Title of publication: A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion.
• Authors of publication: Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 81
• Pages of publication: 9326 - 9328
• a: 12.373 ± 0.002 Å
• b: 23.135 ± 0.004 Å
• c: 9.6348 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2758 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No