Information card for entry 1570716

Structure parameters

• Formula: C13 H10 N4
• Calculated formula: C13 H10 N4
• SMILES: n1(nnc(c1)c1ccccc1)c1ccncc1
• Title of publication: The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene
• Authors of publication: Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Inorganics
• Year of publication: 2023
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 473
• a: 5.677 ± 0.0004 Å
• b: 7.1648 ± 0.0005 Å
• c: 13.4102 ± 0.0011 Å
• α: 75.071 ± 0.006°
• β: 79.636 ± 0.006°
• γ: 89.686 ± 0.006°
• Cell volume: 517.96 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No