Information card for entry 4079847

Structure parameters

• Formula: C12 H19 N2 O3 Sb Se
• Calculated formula: C12 H19 N2 O3 Sb Se
• SMILES: [Sb]123(O[Se](=O)O1)[N](Cc1c3c(C[N]2(C)C)ccc1)(C)C
• 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: 6.859 ± 0.0005 Å
• b: 10.852 ± 0.0016 Å
• c: 20.385 ± 0.003 Å
• α: 90°
• β: 100.517 ± 0.007°
• γ: 90°
• Cell volume: 1491.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No