Information card for entry 7002123

Structure parameters

• Formula: C20 H26 B F4 Fe N3 O
• Calculated formula: C20 H26 B F4 Fe N3 O
• Title of publication: Main-chain organometallic polymers comprising redox-active iron(ii) centers connected by ditopic N-heterocyclic carbenes
• Authors of publication: Mercs, Laszlo; Neels, Antonia; Stoeckli-Evans, Helen; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7168
• a: 11.7156 ± 0.0009 Å
• b: 14.071 ± 0.0007 Å
• c: 13.7433 ± 0.001 Å
• α: 90°
• β: 105.542 ± 0.006°
• γ: 90°
• Cell volume: 2182.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No