Information card for entry 4325706

Structure parameters

• Formula: C39 H67 Cl6 N6 O10 P2 Sb3
• Calculated formula: C39 H67 Cl6 N6 O10 P2 Sb3
• SMILES: c1(c(cccc1CN(C)C)CN(C)C)[Sb]1OP2(=O)O[Sb](c3c(cccc3CN(C)C)CN(C)C)OP(=O)(O1)O[Sb](O2)c1c(cccc1CN(C)C)CN(C)C.O.O.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: NCN-Chelated Organoantimony(III) and Organobismuth(III) Phosphates: Synthesis and Solid-State and Solution Structures
• Authors of publication: Tomáš Svoboda; Libor Dostál; Roman Jambor; Aleš Růžička; Robert Jirásko; Antonín Lyčka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6411 - 6413
• a: 20.437 ± 0.0008 Å
• b: 24.8581 ± 0.0019 Å
• c: 11.143 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5660.9 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No