Information card for entry 7031036

Structure parameters

• Formula: C17 H15 Ga N2 O2
• Calculated formula: C17 H15 Ga N2 O2
• SMILES: C1=C2Oc3ccccc3N2[Ga]([N]2=C1Oc1ccccc21)(C)C
• 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: 8.386 ± 0.002 Å
• b: 13.944 ± 0.003 Å
• c: 13.838 ± 0.003 Å
• α: 90°
• β: 107.6 ± 0.02°
• γ: 90°
• Cell volume: 1542.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No