Information card for entry 7046108

Structure parameters

• Formula: C20 H19 Cl4 Lu N4
• Calculated formula: C20 H19 Cl4 Lu N4
• 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: 14.516 ± 0.003 Å
• b: 12.071 ± 0.002 Å
• c: 13.24 ± 0.003 Å
• α: 90°
• β: 105.64 ± 0.03°
• γ: 90°
• Cell volume: 2234.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No