Information card for entry 7005093

Structure parameters

• Formula: C16 H24 B2 I2 N8 Se4 Zn2
• Calculated formula: C16 H24 B2 I2 N8 Se4 Zn2
• SMILES: I[Zn]12[Se]=C3N([BH2]N4C(N(C=C4)C)=[Se]1[Zn]1(I)[Se]=C4N([BH2]N5C(N(C=C5)C)=[Se]21)C=CN4C)C=CN3C
• 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: 7.7612 ± 0.0004 Å
• b: 8.8013 ± 0.0005 Å
• c: 11.926 ± 0.0007 Å
• α: 70.852 ± 0.001°
• β: 78.267 ± 0.001°
• γ: 70.854 ± 0.001°
• Cell volume: 722.81 ± 0.07 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: 0.0454
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No