Information card for entry 4066484

Structure parameters

• Formula: C78 H104 Sn2
• Calculated formula: C78 H104 Sn2
• SMILES: [Sn]([Sn]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#CC(C)(C)C)C#CC(C)(C)C.CC1CCCC1
• Title of publication: Synthesis and Structures of Low-Valent Alkynyl Tin and Germanium Complexes Supported by Terphenyl Ligands: Heavier Group 14 Element Enediyne Analogues†
• Authors of publication: Lei, Hao; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5585
• a: 13.004 ± 0.0006 Å
• b: 23.635 ± 0.0011 Å
• c: 22.6519 ± 0.0011 Å
• α: 90°
• β: 97.035 ± 0.001°
• γ: 90°
• Cell volume: 6909.6 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No