Information card for entry 4325705

Structure parameters

• Formula: C46.5 H66 N6 O9 P2 Sb3
• Calculated formula: C36 H59 N6 O9 P2 Sb3
• SMILES: [Sb]12(OP3(=O)O[Sb]4(OP(=O)(O[Sb]5(O3)[N](C)(Cc3c5c(CN(C)C)ccc3)C)O1)[N](Cc1c4c(CN(C)C)ccc1)(C)C)c1c(cccc1C[N]2(C)C)CN(C)C.O
• 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: 12.212 ± 0.0008 Å
• b: 13.6871 ± 0.001 Å
• c: 18.49 ± 0.0009 Å
• α: 71.582 ± 0.007°
• β: 85.124 ± 0.006°
• γ: 66.051 ± 0.005°
• Cell volume: 2676.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No