Information card for entry 7020848

Structure parameters

• Chemical name: Mg{HC(C(Me)NAr')2}(BH4)(THF)
• Formula: C33 H53 B Mg N2 O
• Calculated formula: C33 H53 B Mg N2 O
• SMILES: [Mg]123([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[H][BH]([H]2)[H]3
• Title of publication: Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.
• Authors of publication: Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 759 - 769
• a: 8.935 ± 0.0006 Å
• b: 16.675 ± 0.0012 Å
• c: 22.6408 ± 0.0015 Å
• α: 79.081 ± 0.006°
• β: 90.008 ± 0.005°
• γ: 82.717 ± 0.006°
• Cell volume: 3284.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1343
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No