Information card for entry 7028854

Structure parameters

• Formula: C24 H29 Cl4 N2 Sb Se
• Calculated formula: C24 H29 Cl4 N2 Sb Se
• SMILES: c12c3cccc1C[N+](C)(C)[Se]2=N(C3)(C)C.c1(ccccc1)[Sb](c1ccccc1)(Cl)(Cl)(Cl)Cl
• Title of publication: Organoselenium(II) halides containing the pincer 2,6-(Me2NCH2)2C6H3 ligand‒an experimental and theoretical investigation.
• Authors of publication: Pop, Alexandra; Silvestru, Anca; Juárez-Pérez, Emilio José; Arca, Massimiliano; Lippolis, Vito; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2221 - 2233
• a: 9.487 ± 0.0007 Å
• b: 12.6148 ± 0.0009 Å
• c: 12.9073 ± 0.0009 Å
• α: 109.286 ± 0.001°
• β: 101.622 ± 0.001°
• γ: 104.836 ± 0.001°
• Cell volume: 1338.37 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No