Information card for entry 7031034

Structure parameters

• Formula: C15.67 H12.67 Al0.83 Cl0.83 N1.67 O1.67
• Calculated formula: C15.6667 H12.6667 Al0.75 Cl0.833333 N1.66667 O1.66667
• 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: 21.226 ± 0.003 Å
• b: 15.558 ± 0.002 Å
• c: 14.163 ± 0.002 Å
• α: 90°
• β: 112.76 ± 0.02°
• γ: 90°
• Cell volume: 4312.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No