Information card for entry 1551770

Structure parameters

• Formula: C24 H29 Bi Cl6 N6 O
• Calculated formula: C24 H29 Bi Cl6 N6 O
• SMILES: [Bi](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].c12[nH]c([NH3+])cc2cccc1.c1c([NH3+])[nH]c2c1cccc2.c1c2c(ccc1)[nH]c(c2)[NH3+].O
• Title of publication: Synthesis and Crystal Structure of Tris(2-amino-indolinium)-hexachlorobismuthate(III) monohydrate
• Authors of publication: BACCAR, Ikram; ZOUARI, Fatma; CHNIBA-BOUDJADA, Nassira; BORDET, Pierre
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 15
• a: 15.1853 ± 0.0014 Å
• b: 11.7761 ± 0.0009 Å
• c: 17.3168 ± 0.0013 Å
• α: 90 ± 0.007°
• β: 103.937 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 3005.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No