Information card for entry 7021397

Structure parameters

• Formula: C36 H42 B N3
• Calculated formula: C36 H42 B N3
• Title of publication: Boron complexes of redox-active diimine ligand.
• Authors of publication: Fedushkin, Igor L.; Markina, Olga V.; Lukoyanov, Anton N.; Morozov, Alexander G.; Baranov, Evgenii V.; Maslov, Maxim O.; Ketkov, Sergey Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7952 - 7961
• a: 10.9275 ± 0.0007 Å
• b: 12.8248 ± 0.0009 Å
• c: 13.0157 ± 0.0009 Å
• α: 94.55 ± 0.002°
• β: 113.461 ± 0.001°
• γ: 108.675 ± 0.002°
• Cell volume: 1539.63 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No