Information card for entry 4104855

Structure parameters

• Formula: C26 H27 Cl N2 Sn
• Calculated formula: C26 H27 Cl N2 Sn
• SMILES: [Sn]1(Cl)[n]2c(C)ccc2=C(c2n1c(cc2)C)c1c(cc(cc1C)C)C.c1ccccc1
• Title of publication: Synthesis and Reversible Control of the Fluorescent Properties of a Divalent Tin Dipyrromethene
• Authors of publication: Junji Kobayashi; Tomokatsu Kushida; Takayuki Kawashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10836 - 10837
• a: 13.748 ± 0.004 Å
• b: 9.038 ± 0.003 Å
• c: 18.722 ± 0.006 Å
• α: 90°
• β: 94.1207 ± 0.0013°
• γ: 90°
• Cell volume: 2320.3 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0218
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No