Information card for entry 7025204

Structure parameters

• Formula: C16 H26 B Cd N9 O0 S2
• Calculated formula: C16 H24 B Cd N9 S2
• Title of publication: The first anionic four-connected boron imidazolate framework.
• Authors of publication: Zhang, Jian; Chen, Shumei; Bu, Xianhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2487 - 2489
• a: 8.5738 ± 0.0001 Å
• b: 8.9508 ± 0.0001 Å
• c: 14.7961 ± 0.0002 Å
• α: 83.766 ± 0.001°
• β: 84.286 ± 0.001°
• γ: 78.997 ± 0.001°
• Cell volume: 1104.4 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No