Information card for entry 4106514

Structure parameters

• Formula: C38 H40 B2 N12 O4 Zn2
• Calculated formula: C38 H40 B2 N12 O4 Zn2
• Title of publication: Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks
• Authors of publication: Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11884 - 11887
• a: 18.8569 ± 0.0004 Å
• b: 18.8569 ± 0.0004 Å
• c: 16.0871 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5720.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No