Information card for entry 4324599

Structure parameters

• Formula: C34.5 H44 Fe N2 O4 Sn
• Calculated formula: C34.5 H44 Fe N2 O4 Sn
• SMILES: [Sn]1([Fe](C#[O])(C#[O])(C#[O])C#[O])N(CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)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: 9.707 ± 0.0004 Å
• b: 36.8631 ± 0.0015 Å
• c: 9.7894 ± 0.0004 Å
• α: 90°
• β: 101.05 ± 0.002°
• γ: 90°
• Cell volume: 3438 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No