Information card for entry 4078526

Structure parameters

• Formula: C40 H44 Cl2 Fe N4 O0.5
• Calculated formula: C40 H32.5 Cl2 Fe N4 O0.5
• SMILES: [Fe](Cl)(Cl)(=C1N(C=CN1[C@H](C)c1ccccc1)[C@H](C)c1ccccc1)=C1N(C=CN1[C@H](C)c1ccccc1)[C@H](C)c1ccccc1.O1CCCC1
• Title of publication: Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation
• Authors of publication: Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4474
• a: 9.1173 ± 0.0015 Å
• b: 25.346 ± 0.004 Å
• c: 32.221 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7446 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No