Information card for entry 2018505

Structure parameters

• Chemical name: <i>meso</i>-bis{η^5^-1-[1-(dimethylamino)ethenyl]-3- (trimethylsilyl)cyclopentadienyl}iron(II)
• Formula: C24 H40 Fe N2 Si2
• Calculated formula: C24 H40 Fe N2 Si2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[c]3([cH]49)C(=C)N(C)C)[Si](C)(C)C)[cH]1[cH]5[c]6([cH]7[c]81[Si](C)(C)C)C(=C)N(C)C
• Title of publication: <i>meso</i>-Bis{η^5^-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue
• Authors of publication: Duan, Xin-E; Tong, Hong-Bo; Bai, Sheng-Di; Wei, Xue-Hong; Liu, Dian-Sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m139 - m142
• a: 10.186 ± 0.002 Å
• b: 11.736 ± 0.003 Å
• c: 22.341 ± 0.005 Å
• α: 90°
• β: 102.978 ± 0.003°
• γ: 90°
• Cell volume: 2602.5 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes