Information card for entry 4106513

Structure parameters

• Formula: C38 H38 B2 N12 O5 Zn2
• Calculated formula: C38 H38 B2 N12 O5 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: 27.2749 ± 0.0018 Å
• b: 27.2749 ± 0.0018 Å
• c: 87.561 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 56412 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No