Information card for entry 2203009

Structure parameters

• Formula: C43 H34 Fe O5 P2
• Calculated formula: C43 H34 Fe O5 P2
• SMILES: c1(ccccc1)[P](c1ccccc1)(CC(=O)c1ccccc1)[Fe](C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)CC(=O)c1ccccc1)C#[O]
• Title of publication: <i>trans</i>-Tricarbonylbis[diphenyl(benzoylmethyl)phosphine]iron(0)
• Authors of publication: Cui Da-Jun; Zeng Xianshun; Leng Xuebing; Xu Fengbo; Zhang Zhengzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m546 - m547
• a: 20.4621 ± 0.0014 Å
• b: 8.6575 ± 0.0006 Å
• c: 20.9787 ± 0.0014 Å
• α: 90°
• β: 102.342 ± 0.001°
• γ: 90°
• Cell volume: 3630.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No