Information card for entry 7708673

Structure parameters

• Formula: C33 H51 Fe N2 P3 Si
• Calculated formula: C33 H51 Fe N2 P3 Si
• SMILES: [FeH]12([P](c3c([Si]2(c2ccccc2)c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C)([P](C)(C)C)[N]#N
• Title of publication: Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen
• Authors of publication: Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.9876 ± 0.0003 Å
• b: 10.4113 ± 0.0003 Å
• c: 36.5579 ± 0.0006 Å
• α: 96.856 ± 0.002°
• β: 91.687 ± 0.002°
• γ: 116.43 ± 0.002°
• Cell volume: 3365.15 ± 0.16 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No