Information card for entry 4316636

Structure parameters

• Chemical name: tris(1,2-bis(methylselenomethyl)benzene)tetrakis(trichlorobismuth(III))
• Formula: C30 H42 Bi4 Cl12 Se6
• Calculated formula: C30 H42 Bi4 Cl12 Se6
• SMILES: C[Se]1Cc2ccccc2C[Se](C)[Bi]2([Cl][Bi]3(Cl)([Cl][Bi]1(Cl)(Cl)[Se](Cc1c(C[Se](C)[Bi]([Cl]3)(Cl)(Cl)[Se](Cc3c(C[Se]2C)cccc3)C)cccc1)C)(Cl)Cl)(Cl)Cl
• Title of publication: Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands
• Authors of publication: William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9036 - 9048
• a: 18.184 ± 0.003 Å
• b: 18.184 ± 0.003 Å
• c: 15.147 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4337.5 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No