Information card for entry 7046102

Structure parameters

• Formula: C40 H38 Cl8 N8 Sm2
• Calculated formula: C40 H37 Cl8 N8 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: 13.205 ± 0.004 Å
• b: 12.34 ± 0.004 Å
• c: 8.1926 ± 0.0016 Å
• α: 90°
• β: 121.97 ± 0.03°
• γ: 90°
• Cell volume: 1132.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No