Information card for entry 7101430

Structure parameters

• Formula: C84 H98 B2 Cu2 N18 Se6
• Calculated formula: C84 H98 B2 Cu2 N18 Se6
• SMILES: [BH]12N3C(N(C=C3)c3c(cc(cc3C)C)C)=[Se][Cu]([Se]=C3N1C=CN3c1c(C)cc(cc1C)C)[Se]=C1N([BH]3N4C(N(C=C4)c4c(cc(cc4C)C)C)=[Se][Cu]([Se]=C4N2C=CN4c2c(C)cc(cc2C)C)[Se]=C2N3C=CN2c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N
• 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: 13.111 ± 0.003 Å
• b: 13.614 ± 0.003 Å
• c: 15.098 ± 0.003 Å
• α: 69.291 ± 0.004°
• β: 81.177 ± 0.003°
• γ: 63.195 ± 0.004°
• Cell volume: 2249.9 ± 0.9 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No