Information card for entry 4329388

Structure parameters

• Formula: C13 H20 Cl In N2 O2
• Calculated formula: C13 H20 Cl In N2 O2
• SMILES: CC1=CC(C)=[N]2CCC[N]3=C(C)C=C(C)O[In]23(O1)Cl
• Title of publication: Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3
• Authors of publication: David Pugh; Peter Marchand; Ivan P. Parkin; Claire J. Carmalt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6385 - 6395
• a: 8.8098 ± 0.0008 Å
• b: 12.6328 ± 0.0011 Å
• c: 14.7568 ± 0.0013 Å
• α: 94.327 ± 0.001°
• β: 95.448 ± 0.001°
• γ: 110.058 ± 0.001°
• Cell volume: 1525.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0644
• 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: No
• Has Fobs: No