Information card for entry 7005090

Structure parameters

• Formula: C16 H24 B2 Cl2 N8 Se4 Zn2
• Calculated formula: C16 H24 B2 Cl2 N8 Se4 Zn2
• SMILES: Cl[Zn]12[Se]([Zn]3(Cl)[Se]1=C1N([BH2]N4C(N(C=C4)C)=[Se]3)C=CN1C)=C1N([BH2]N3C(N(C=C3)C)=[Se]2)C=CN1C
• 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: 7.5666 ± 0.0006 Å
• b: 8.5632 ± 0.0007 Å
• c: 11.8893 ± 0.001 Å
• α: 70.087 ± 0.001°
• β: 76.185 ± 0.002°
• γ: 70.401 ± 0.002°
• Cell volume: 675.56 ± 0.1 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: 0.0527
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No