Information card for entry 7708999

Structure parameters

• Chemical name: xstr1155
• Formula: C36 H52 Al Cl N2 O4
• Calculated formula: C36 H52 Al Cl N2 O4
• SMILES: Cl[Al]12(OC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)OCC)OC(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)OCC
• 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: 8.9081 ± 0.0001 Å
• b: 23.8108 ± 0.0002 Å
• c: 16.8695 ± 0.0002 Å
• α: 90°
• β: 96.865 ± 0.001°
• γ: 90°
• Cell volume: 3552.52 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.01 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: 0.044
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No