Information card for entry 7101432

Structure parameters

• Formula: C42 H45 B N6 S Se3 Zn
• Calculated formula: C42 H45 B N6 S Se3 Zn
• SMILES: [Zn]12([Se]=C3N([BH](N4C(=[Se]1)N(C=C4)c1c(cc(cc1C)C)C)N1C(=[Se]2)N(C=C1)c1c(cc(cc1C)C)C)C=CN3c1c(cc(cc1C)C)C)Sc1ccccc1
• 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: 9.3041 ± 0.0008 Å
• b: 21.886 ± 0.002 Å
• c: 22.382 ± 0.002 Å
• α: 73.753 ± 0.002°
• β: 85.956 ± 0.002°
• γ: 89.978 ± 0.002°
• Cell volume: 4363.7 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No