Information card for entry 7046101

Structure parameters

• Formula: C10 H8 Bi Br3 N2
• Calculated formula: C10 H8 Bi Br3 N2
• Title of publication: Bismuth as a versatile cation for luminescence in coordination polymers from BiX₃/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.
• Authors of publication: Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 7669 - 7681
• a: 8.0006 ± 0.0016 Å
• b: 9.1231 ± 0.0018 Å
• c: 10.094 ± 0.002 Å
• α: 114.97 ± 0.03°
• β: 92.83 ± 0.03°
• γ: 90.59 ± 0.03°
• Cell volume: 666.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No