Information card for entry 4314951

Structure parameters

• Formula: C64 H124 O24 P4 Zn4
• Calculated formula: C64 H108 O24 P4 Zn4
• 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: 14.675 ± 0.002 Å
• b: 28.204 ± 0.004 Å
• c: 9.7815 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.5 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No