Information card for entry 7040289

Structure parameters

• Chemical name: Compound 6
• Formula: C35 H56 B2 Mg N4
• Calculated formula: C35 H56 B2 Mg N4
• SMILES: [Mg]1([N](=Cc2ccccc2N1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)[N](C)(C)[BH2][N](C)(C)[BH3]
• Title of publication: The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.
• Authors of publication: Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13969 - 13978
• a: 11.8779 ± 0.0002 Å
• b: 15.2518 ± 0.0003 Å
• c: 38.9205 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7050.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No