Information card for entry 4104325

Structure parameters

• Formula: C16 H21 B N8
• Calculated formula: C16 H21 B N8
• SMILES: [B](n1cnc(c1)C)([n]1c[nH]c(c1)C)(n1cnc(c1)C)n1cnc(c1)C
• Title of publication: Zeolite RHO-Type Net with the Lightest Elements
• Authors of publication: Tao Wu; Jian Zhang; Cong Zhou; Le Wang; Xianhui Bu; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6111 - 6113
• a: 8.9278 ± 0.0001 Å
• b: 9.5465 ± 0.0001 Å
• c: 21.1523 ± 0.0003 Å
• α: 90°
• β: 99.338 ± 0.001°
• γ: 90°
• Cell volume: 1778.9 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No