Information card for entry 7005092

Structure parameters

• Formula: C15 H16 B N6 O3 Re Se3
• Calculated formula: C15 H16 B N6 O3 Re Se3
• SMILES: [BH]12N3C(N(C=C3)C)=[Se][Re](C#[O])(C#[O])(C#[O])([Se]=C3N1C=CN3C)[Se]=C1N2C=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: 14.5312 ± 0.0009 Å
• b: 14.5312 ± 0.0009 Å
• c: 18.233 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3334.2 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No