Information card for entry 4125369

Structure parameters

• Formula: C112 H152 N6 O36 P6 Zn6
• Calculated formula: C112 H152 N6 O36 P6 Zn6
• 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: 15.158 ± 0.0012 Å
• b: 15.3757 ± 0.0012 Å
• c: 15.9657 ± 0.0012 Å
• α: 61.884 ± 0.004°
• β: 69.613 ± 0.005°
• γ: 80.627 ± 0.006°
• Cell volume: 3076.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No