Information card for entry 4069785

Structure parameters

• Formula: C12 H16 Fe0.5 N2.5
• Calculated formula: C12 H15.9 Fe0.5 N2.592
• Title of publication: Indirectly Connected Bis(N-Heterocyclic Carbene) Bimetallic Complexes: Dependence of Metal−Metal Electronic Coupling on Linker Geometry
• Authors of publication: Tennyson, Andrew G.; Khramov, Dimitri M.; Varnado, C. Daniel; Creswell, Philip T.; Kamplain, Justin W.; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5142
• a: 10.687 ± 0.0005 Å
• b: 10.6915 ± 0.0007 Å
• c: 11.1718 ± 0.0009 Å
• α: 74.334 ± 0.002°
• β: 75.568 ± 0.002°
• γ: 68.082 ± 0.002°
• Cell volume: 1124.38 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No