Information card for entry 7031035

Structure parameters

• Formula: C16 H12 Al Cl N2 S2
• Calculated formula: C16 H12 Al Cl N2 S2
• Title of publication: Heterocyclic substituted methanides as promising alternatives to the ubiquitous nacnac ligand.
• Authors of publication: Dauer, David-R; Stalke, Dietmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14432 - 14439
• a: 7.074 ± 0.002 Å
• b: 7.694 ± 0.002 Å
• c: 14.664 ± 0.003 Å
• α: 89.97 ± 0.02°
• β: 85.29 ± 0.02°
• γ: 85.89 ± 0.02°
• Cell volume: 793.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No