Information card for entry 7055396

Structure parameters

• Formula: C21 H22 N4 Sn
• Calculated formula: C21 H22 N4 Sn
• SMILES: [Sn]1(c2c(cccc2)C[N]1(C)C)(c1ccccc1)(c1ccccc1)N=N#N
• Title of publication: C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry
• Authors of publication: Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5808
• a: 8.701 ± 0.0005 Å
• b: 14.815 ± 0.0006 Å
• c: 17.4601 ± 0.0009 Å
• α: 90°
• β: 118.559 ± 0.005°
• γ: 90°
• Cell volume: 1976.8 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No