Information card for entry 7119711

Structure parameters

• Formula: C39 H49 N3 Sn
• Calculated formula: C39 H49 N3 Sn
• SMILES: [Sn]12N(c3c(N1c1c(cccc1C(C)C)C(C)C)cccc3)c1c(cccc1C(C)C)C([NH]2c1c(cc(cc1C)C)C)(C)C
• Title of publication: Reactivity of heavy carbene analogues towards oxidants: a redox active ligand-enabled isolation of a paramagnetic stannylene.
• Authors of publication: Janes, Trevor; Zatsepin, Pavel; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 3090 - 3093
• a: 10.2651 ± 0.0016 Å
• b: 22.732 ± 0.003 Å
• c: 15.116 ± 0.002 Å
• α: 90°
• β: 100.724 ± 0.006°
• γ: 90°
• Cell volume: 3465.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No