Information card for entry 4314954

Structure parameters

• Formula: C70 H121 N2 O24 P5 Zn3
• Calculated formula: C70 H121 N2 O24 P5 Zn3
• Title of publication: Assembling Discrete D4R Zeolite SBUs through Noncovalent Interactions. 3.(1) Mediation by Butanols and 1,2-Bis(dimethylamino)ethane
• Authors of publication: Ramaswamy Murugavel; Subramaniam Kuppuswamy; Nayanmoni Gogoi; Alexander Steiner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2153 - 2162
• a: 18.0119 ± 0.0013 Å
• b: 25.1888 ± 0.0018 Å
• c: 19.3179 ± 0.0007 Å
• α: 90°
• β: 98.724 ± 0.006°
• γ: 90°
• Cell volume: 8663.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1068
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No