Information card for entry 7132201

Structure parameters

• Formula: C14 H27 Br N2
• Calculated formula: C14 H27 Br N2
• SMILES: [Br-].n1(cc[n+](c1C)CCCCC)CCCCC
• Title of publication: Selective and Benign Alkylation of Sulfido-Oxo Stannate Clusters with Propyl, Pentyl, or Hexyl Substituents
• Authors of publication: Stuhrmann, Gina; Schneider, Jannik; Schmidt, Kilian; Dehnen, Stefanie Susanne
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 8.8924 ± 0.0016 Å
• b: 13.793 ± 0.003 Å
• c: 14.286 ± 0.003 Å
• α: 113.979 ± 0.013°
• β: 90.289 ± 0.014°
• γ: 93.083 ± 0.014°
• Cell volume: 1598 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No