Information card for entry 4329385

Structure parameters

• Formula: C36 H56 Cl2 In2 N6 O6
• Calculated formula: C36 H56 Cl2 In2 N6 O6
• SMILES: CC1=CC(=[N]2CC[N]3[In]2(O1)([O]=C(C)C=C(NCCNC(=CC(=[O][In]124(OC(=CC(=[N]2CC[N]1=C(C=C(C)O4)C)C)C)Cl)C)C)C)(OC(=CC=3C)C)Cl)C
• 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: 8.2191 ± 0.0001 Å
• b: 9.4727 ± 0.0002 Å
• c: 14.0874 ± 0.0002 Å
• α: 73.982 ± 0.001°
• β: 75.889 ± 0.001°
• γ: 86.436 ± 0.001°
• Cell volume: 1022.39 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0531
• 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