Information card for entry 7041660

Structure parameters

• Formula: C18 H12 B Cl3 N2
• Calculated formula: C18 H12 B Cl3 N2
• SMILES: Cl[B]1(Cl)[n]2c3ccccc3ccc2c2[n]1c1c(cccc1)cc2.[Cl-]
• Title of publication: Synthesis and characterisation of p-block complexes of biquinoline at different ligand charge states.
• Authors of publication: Hurmalainen, Juha; Mansikkamäki, Akseli; Morgan, Ian S.; Peuronen, Anssi; Tuononen, Heikki M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1377 - 1381
• a: 9.8065 ± 0.0006 Å
• b: 11.7319 ± 0.0007 Å
• c: 14.686 ± 0.0012 Å
• α: 90°
• β: 107.874 ± 0.008°
• γ: 90°
• Cell volume: 1608.1 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No