Information card for entry 7040895

Structure parameters

• Formula: C14 H14 N16 Si
• Calculated formula: C14 H14 N16 Si
• SMILES: [Si]1(n2nnc(C)n2)(n2nnc(C)n2)(N=N#N)(N=N#N)[n]2ccccc2c2cccc[n]12
• Title of publication: Synthesis of six-coordinate mono-, bis-, and tris(tetrazolato) complexes via [3 + 2] cycloadditions of nitriles to silicon-bound azido ligands.
• Authors of publication: Portius, Peter; Davis, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17141 - 17152
• a: 11.7941 ± 0.0006 Å
• b: 13.5508 ± 0.0006 Å
• c: 12.6135 ± 0.0006 Å
• α: 90°
• β: 104.555 ± 0.002°
• γ: 90°
• Cell volume: 1951.19 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No