Information card for entry 7044569

Structure parameters

• Formula: C40 H62 Cl4 Fe2 N2
• Calculated formula: C40 H62 Cl4 Fe2 N2
• SMILES: C1(C(C)(C)CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)=[Fe]1([Cl][Fe](=C2C(C)(C)CC(C)(C)N2c2c(C(C)C)cccc2C(C)C)([Cl]1)Cl)Cl
• Title of publication: Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene
• Authors of publication: Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.1376 ± 0.0011 Å
• b: 14.5702 ± 0.0017 Å
• c: 15.7911 ± 0.0018 Å
• α: 90°
• β: 90.838 ± 0.003°
• γ: 90°
• Cell volume: 2102.1 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• 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: 0.1048
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No