Information card for entry 7049735

Structure parameters

• Chemical name: Bis-tert-butylthiocyanatobismuthan
• Formula: C18 H36 Bi2 N2 S2
• Calculated formula: C18 H36 Bi2 N2 S2
• Title of publication: Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.
• Authors of publication: Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5253 - 5262
• a: 12.8551 ± 0.0012 Å
• b: 14.8107 ± 0.0011 Å
• c: 13.3604 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2543.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No