Information card for entry 7101428

Structure parameters

• Formula: C42 H49 B I N9 Se3 Zn
• Calculated formula: C36 H39 B I N6 Se3 Zn
• SMILES: [BH]12N3C(N(C=C3)c3c(cc(cc3C)C)C)=[Se][Zn](I)([Se]=C3N1C=CN3c1c(cc(cc1C)C)C)[Se]=C1N2C=CN1c1c(cc(cc1C)C)C
• 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: 14.6187 ± 0.0014 Å
• b: 14.6187 ± 0.0014 Å
• c: 77.975 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14431 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No