Information card for entry 7031038

Structure parameters

• Formula: C25 H19 N3 O3
• Calculated formula: C25 H19 N3 O3
• 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: 31.997 ± 0.003 Å
• b: 8.907 ± 0.001 Å
• c: 15.673 ± 0.002 Å
• α: 90°
• β: 117.53 ± 0.01°
• γ: 90°
• Cell volume: 3961 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No