Information card for entry 7018240

Structure parameters

• Formula: C40 H40 Fe N4 O3
• Calculated formula: C40 H40 Fe N4 O3
• Title of publication: Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.
• Authors of publication: Zlatogorsky, Sergey; Ingleson, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2685 - 2693
• a: 10.658 ± 0.0005 Å
• b: 19.9015 ± 0.0007 Å
• c: 17.2833 ± 0.0011 Å
• α: 90°
• β: 99.984 ± 0.005°
• γ: 90°
• Cell volume: 3610.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No