Information card for entry 7102090

Structure parameters

• Formula: C66 H246 Al38 Mg10 N10 O238 P48
• Calculated formula: C48 Al48 N8 O196 P48
• Title of publication: Co-templating and modelling in the rational synthesis of zeolitic solids.
• Authors of publication: Castro, Maria; Garcia, Raquel; Warrender, Stewart J; Slawin, Alexandra M Z; Wright, Paul A; Cox, Paul A; Fecant, Antoine; Mellot-Draznieks, Caroline; Bats, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3470 - 3472
• a: 18.9056 ± 0.0017 Å
• b: 18.9056 ± 0.0017 Å
• c: 18.9056 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6757.3 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.2986
• Weighted residual factors for all reflections included in the refinement: 0.303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No