Information card for entry 7041661

Structure parameters

• Formula: C18 H12 B Cl2 N2
• Calculated formula: C18 H12 B Cl2 N2
• SMILES: Cl[B]1(Cl)[n]2c3ccccc3ccc2c2[n]1c1c(cc2)cccc1
• 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: 6.7519 ± 0.0013 Å
• b: 7.7698 ± 0.0014 Å
• c: 14.179 ± 0.003 Å
• α: 86.739 ± 0.015°
• β: 86.016 ± 0.015°
• γ: 86.206 ± 0.015°
• Cell volume: 739.4 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No