Information card for entry 4082356

Structure parameters

• Formula: C42 H48 Fe2 N4
• Calculated formula: C42 H48 Fe2 N4
• SMILES: C12N(c3c(cc(cc3C)C)C)C=CN2[c]23[c]4([cH]5[c]6([cH]7[c]2(C)[Fe]234567[Fe]34567=1[c]1(N8C=2N(C=C8)c2c(cc(cc2C)C)C)[c]3([cH]4[c]5([cH]6[c]71C)C)C)C)C
• Title of publication: Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes
• Authors of publication: Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 921
• a: 21.81 ± 0.005 Å
• b: 8.3183 ± 0.0015 Å
• c: 21.827 ± 0.004 Å
• α: 90°
• β: 109.513 ± 0.003°
• γ: 90°
• Cell volume: 3732.5 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No