Information card for entry 7126963

Structure parameters

• Formula: C54 H57 N5 O21 Zn4
• Calculated formula: C54 H57 N5 O21 Zn4
• Title of publication: N,N-Diethyl-3-methylbenzamide (DEET) acts as a metal-organic framework synthesis solvent with phase-directing capabilities.
• Authors of publication: Dodson, Ryan A.; Kalenak, Andre P.; Du Bois, Derek R.; Gill-Ljunghammer, Sasha L; Matzger, Adam J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 69
• Pages of publication: 9966 - 9969
• a: 16.4452 ± 0.0003 Å
• b: 18.9661 ± 0.0003 Å
• c: 19.6218 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6120.07 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No