Information card for entry 7708994

Structure parameters

• Formula: C9 H16 Cl2 Ga N O2
• Calculated formula: C9 H16 Cl2 Ga N O2
• SMILES: [Ga]1(OC(=CC(=[N]1C(C)C)C)OCC)(Cl)Cl
• Title of publication: Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.
• Authors of publication: Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 156 - 167
• a: 9.08077 ± 0.00015 Å
• b: 8.02118 ± 0.0001 Å
• c: 18.3319 ± 0.0003 Å
• α: 90°
• β: 98.2836 ± 0.0016°
• γ: 90°
• Cell volume: 1321.34 ± 0.04 ų
• Cell temperature: 151.6 ± 0.4 K
• Ambient diffraction temperature: 151.6 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No