Information card for entry 7037187

Structure parameters

• Formula: C30 H44 B Cl N2
• Calculated formula: C30 H44 B Cl N2
• SMILES: B(c1c(N2C(C)(C)CCCC2(C)C)cccc1)(Cl)c1ccccc1N1C(C)(C)CCCC1(C)C
• Title of publication: Reversible hydrogen activation by a bulky haloborane based FLP system.
• Authors of publication: Courtemanche, Marc-André; Rochette, Étienne; Légaré, Marc-André; Bi, Wenhua; Fontaine, Frédéric-Georges
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6129 - 6135
• a: 23.1183 ± 0.0012 Å
• b: 7.8422 ± 0.0004 Å
• c: 15.1217 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2741.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No