Information card for entry 7105998

Structure parameters

• Chemical name: [Ca{HC(Me2pz)3}(BH4)(THF)2][BPh4] . 2(THF)
• Formula: C56 H78 B2 Ca N6 O4
• Calculated formula: C56 H78 B2 Ca N6 O4
• Title of publication: Cationic and charge-neutral calcium tetrahydroborate complexes and their use in the controlled ring-opening polymerisation of rac-lactide
• Authors of publication: Michael G. Cushion; Philip Mountford
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2276
• a: 10.3958 ± 0.0002 Å
• b: 15.0936 ± 0.0004 Å
• c: 17.5126 ± 0.0004 Å
• α: 82.3488 ± 0.0012°
• β: 82.0004 ± 0.0012°
• γ: 80.4508 ± 0.0007°
• Cell volume: 2666.36 ± 0.11 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: 0.0553
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No