Information card for entry 4079846

Structure parameters

• Formula: C40.5 H66 Bi3 Cl9 N6 O9 Se3
• Calculated formula: C36 H57 Bi3 N6 O9 Se3
• SMILES: c1(c(cccc1C[N]1(C)C)C[N]2(C)C)[Bi]123([O]=[Se](O3)O[Bi]123(c4c(cccc4C[N]1(C)C)C[N]2(C)C)[O]=[Se](O3)O[Bi]1234[N](Cc5c2c(ccc5)C[N]1(C)C)(C)C)O[Se](=[O]3)O4
• 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: 22.5721 ± 0.0009 Å
• b: 11.149 ± 0.0007 Å
• c: 22.5468 ± 0.0009 Å
• α: 90°
• β: 110.31 ± 0.02°
• γ: 90°
• Cell volume: 5321.3 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No