Information card for entry 7101427

Structure parameters

• Formula: C39 H52 B Hg I N6 O3 Se3
• Calculated formula: C39 H52 B Hg I N6 O3 Se3
• SMILES: [BH]12N3C(=[Se][Hg](I)([Se]=C4N1C=CN4c1c(cc(cc1C)C)C)[Se]=C1N2C=CN1c1c(cc(cc1C)C)C)N(C=C3)c1c(cc(cc1C)C)C.OC.OC.OC
• Title of publication: Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand
• Authors of publication: G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 38
• a: 14.8227 ± 0.0013 Å
• b: 14.8227 ± 0.0013 Å
• c: 37.136 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7066.1 ± 1.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No