Information card for entry 4324597

Structure parameters

• Formula: C60 H76 Fe2 N4 O8 Sn2
• Calculated formula: C60 H76 Fe2 N4 O8 Sn2
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)CCN([Sn]21[Fe](C#[O])(C#[O])(C#[O])(C#[O])[Sn]1(N(c3c(cccc3C(C)C)C(C)C)CCN1c1c(cccc1C(C)C)C(C)C)[Fe]2(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1C(C)C)C(C)C
• Title of publication: Coordination Chemistry of N-Heterocyclic Stannylenes: A Combined Synthetic and Mössbauer Spectroscopy Study
• Authors of publication: Stephen M. Mansell; Rolfe H. Herber; Israel Nowik; Douglas H. Ross; Christopher A. Russell; Duncan F. Wass
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2252 - 2263
• a: 13.4655 ± 0.0016 Å
• b: 11.7855 ± 0.0013 Å
• c: 19.163 ± 0.002 Å
• α: 90°
• β: 102.069 ± 0.002°
• γ: 90°
• Cell volume: 2973.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No