Information card for entry 7214191

Structure parameters

• Formula: C12 H12 B Br Cd N8
• Calculated formula: C12 H12 B Br Cd N8
• Title of publication: A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net
• Authors of publication: Yang, E.; Wang, Lin; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 2889
• a: 11.0387 ± 0.0002 Å
• b: 11.0387 ± 0.0002 Å
• c: 6.6318 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808.1 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No