Information card for entry 7055401

Structure parameters

• Formula: C4 H9 N5
• Calculated formula: C4 H9 N5
• SMILES: n1c([nH]nn1)CN(C)C
• 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: 16.2012 ± 0.0004 Å
• b: 6.1332 ± 0.0005 Å
• c: 12.707 ± 0.0002 Å
• α: 90°
• β: 97.423 ± 0.005°
• γ: 90°
• Cell volume: 1252.05 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No