Information card for entry 7046109

Structure parameters

• Formula: C60 H52 Cl8 N12 Sm2
• Calculated formula: C60 H52 Cl8 N12 Sm2
• 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: 8.7594 ± 0.0004 Å
• b: 20.009 ± 0.0009 Å
• c: 17.2945 ± 0.0008 Å
• α: 90°
• β: 92.855 ± 0.001°
• γ: 90°
• Cell volume: 3027.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No