Information card for entry 4125370

Structure parameters

• Formula: C152 H187 N12 O40 P8 Zn8
• Calculated formula: C152 H187 N12 O40 P8 Zn8
• Title of publication: Elusive Double-Eight-Ring Zeolitic Secondary Building Unit.
• Authors of publication: Gupta, Sandeep K.; Kalita, Alok Ch; Dar, Aijaz A.; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 59 - 62
• a: 20.717 ± 0.002 Å
• b: 28.654 ± 0.003 Å
• c: 31.996 ± 0.004 Å
• α: 90°
• β: 99.303 ± 0.002°
• γ: 90°
• Cell volume: 18744 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No