Information card for entry 4079845

Structure parameters

• Formula: C38 H50 Cl6 N4 O6 Se2 Sn2
• Calculated formula: C38 H50 Cl6 N4 O6 Se2 Sn2
• SMILES: CN(Cc1c([Sn]2(O[Se](=O)O[Sn](c3c(cccc3CN(C)C)CN(C)C)(O[Se](O2)=O)c2ccccc2)c2ccccc2)c(ccc1)CN(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Intramolecularly Coordinated Group 14 and 15 Chalcogenites
• Authors of publication: Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 157
• a: 26.3225 ± 0.0007 Å
• b: 9.491 ± 0.0003 Å
• c: 20.1493 ± 0.0006 Å
• α: 90°
• β: 106.131 ± 0.005°
• γ: 90°
• Cell volume: 4835.6 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No