Information card for entry 1567603

Structure parameters

• Formula: C56 H60 Ga N4 O P
• Calculated formula: C56 H60 Ga N4 O P
• Title of publication: Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols
• Authors of publication: Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 11215 - 11220
• a: 13.0677 ± 0.0006 Å
• b: 21.406 ± 0.0011 Å
• c: 17.1423 ± 0.0007 Å
• α: 90°
• β: 108.63 ± 0.002°
• γ: 90°
• Cell volume: 4543.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No