Information card for entry 4082359

Structure parameters

• Formula: C31 H36 Fe N2 O4
• Calculated formula: C31 H36 Fe N2 O4
• SMILES: [Fe](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• 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: 17.345 ± 0.005 Å
• b: 9.287 ± 0.003 Å
• c: 18.211 ± 0.005 Å
• α: 90°
• β: 98.59 ± 0.005°
• γ: 90°
• Cell volume: 2900.6 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No