Information card for entry 7005091

Structure parameters

• Formula: C16 H24 B2 N8 Se4 Zn
• Calculated formula: C16 H24 B2 N8 Se4 Zn
• SMILES: [Zn]12([Se]=c3n([BH2]n4c(=[Se]1)n(cc4)C)ccn3C)[Se]=c1n([BH2]n3c(=[Se]2)n(cc3)C)ccn1C
• Title of publication: Bis- and tris(2-seleno-1-methylimidazolyl)hydroborato complexes, {[BseMe]ZnX}2(X=Cl, I), [BseMe]2Zn and [TseMe]Re(CO)3: structural evidence that the [BseMe] ligand is not merely a "heavier" version of the sulfur counterpart, [BmMe].
• Authors of publication: Landry, Victoria K.; Buccella, Daniela; Pang, Keliang; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 866 - 870
• a: 9.5572 ± 0.0004 Å
• b: 14.3524 ± 0.0005 Å
• c: 18.9224 ± 0.0008 Å
• α: 90°
• β: 93.455 ± 0.001°
• γ: 90°
• Cell volume: 2590.84 ± 0.18 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No