Information card for entry 7039508

Structure parameters

• Formula: C21 H31 B Cl5 Ga N P
• Calculated formula: C21 H31 B Cl5 Ga N P
• SMILES: [P]1([B]([n]2c(C1)cccc2C)(Cl)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Ga]([Cl-])(Cl)(Cl)Cl
• Title of publication: Versatile coordination of a reactive P,N-ligand toward boron, aluminum and gallium and interconversion reactivity.
• Authors of publication: Devillard, M.; Alvarez Lamsfus, C.; Vreeken, V.; Maron, L.; van der Vlugt, J. I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10989 - 10998
• a: 9.7845 ± 0.0007 Å
• b: 11.8465 ± 0.0009 Å
• c: 12.0322 ± 0.0009 Å
• α: 83.458 ± 0.003°
• β: 83.64 ± 0.003°
• γ: 77.501 ± 0.003°
• Cell volume: 1347.41 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No