Information card for entry 4080558

Structure parameters

• Formula: C21 H27 Br4 Cl3 N2 O Sn
• Calculated formula: C21 H27 Br4 Cl3 N2 O Sn
• SMILES: [Sn]1(Br)(Br)(Br)(Br)[N](=C(C)c2[n]1c(OC)ccc2)c1c(C(C)C)cccc1C(C)C.ClC(Cl)Cl
• Title of publication: Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand
• Authors of publication: Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1995
• a: 10.571 ± 0.0005 Å
• b: 15.312 ± 0.0012 Å
• c: 20.462 ± 0.003 Å
• α: 90°
• β: 102.694 ± 0.006°
• γ: 90°
• Cell volume: 3231.1 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.2165
• 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: No
• Has Fobs: No