Information card for entry 7106508

Structure parameters

• Formula: C34 H30 Fe7 N4 O26
• Calculated formula: C34 H30 Fe7 N4 O26
• SMILES: N(C=[O][Fe]([O]=CN(C)C)([O]=C1[Fe]23(C#[O])(C#[O])(C#[O])[H][Fe]12(C#[O])(C#[O])(C#[O])[Fe]3(C#[O])(C#[O])(C#[O])C#[O])([O]=C1[Fe]23(C#[O])(C#[O])(C#[O])[H][Fe]12(C#[O])(C#[O])(C#[O])[Fe]3(C#[O])(C#[O])(C#[O])C#[O])([O]=CN(C)C)[O]=CN(C)C)(C)C
• Title of publication: New catalyst systems for iron-catalyzed hydrosilane reduction of carboxamides
• Authors of publication: Hironori Tsutsumi; Yusuke Sunada; Hideo Nagashima
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6581
• a: 9.979 ± 0.005 Å
• b: 11.85 ± 0.003 Å
• c: 11.906 ± 0.005 Å
• α: 76.22 ± 0.14°
• β: 73.6 ± 0.12°
• γ: 66.89 ± 0.08°
• Cell volume: 1229.2 ± 1.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No