Information card for entry 4085275

Structure parameters

• Formula: C30 H36 Cl7 N2 Sb
• Calculated formula: C30 H36 Cl7 N2 Sb
• SMILES: [Sb]12([N](C(C)(C)C)=Cc3c2c(C([NH]1C(C)(C)C)c1ccccc1)ccc3)c1ccccc1.ClC(Cl)Cl.[Cl-].ClC(Cl)Cl
• Title of publication: Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution
• Authors of publication: Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 534
• a: 12.3751 ± 0.001 Å
• b: 17.897 ± 0.0008 Å
• c: 19.572 ± 0.0012 Å
• α: 90°
• β: 127.755 ± 0.006°
• γ: 90°
• Cell volume: 3427.2 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No