Information card for entry 7036544

Structure parameters

• Formula: C11 H10 B2 Cl6 N2
• Calculated formula: C11 H10 B2 Cl6 N2
• SMILES: Cl[B](Cl)(Cl)[n]1ccccc1Cc1[n](cccc1)[B](Cl)(Cl)Cl
• Title of publication: Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.
• Authors of publication: Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18247 - 18259
• a: 7.5511 ± 0.0004 Å
• b: 10.7802 ± 0.0006 Å
• c: 11.2368 ± 0.0006 Å
• α: 112.339 ± 0.005°
• β: 98.875 ± 0.005°
• γ: 101.174 ± 0.005°
• Cell volume: 803.4 ± 0.09 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No