Information card for entry 7022089

Structure parameters

• Formula: C72 H102 B12 Nd6
• Calculated formula: C72 H102 B12 Nd6
• Title of publication: Tuning the catalytic properties of rare earth borohydrides for the polymerisation of isoprene.
• Authors of publication: Bonnet, Fanny; Jones, Chloe E.; Semlali, Sanaa; Bria, Marc; Roussel, Pascal; Visseaux, Marc; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 790 - 801
• a: 15.979 ± 0.004 Å
• b: 16.381 ± 0.004 Å
• c: 21.702 ± 0.006 Å
• α: 90.181 ± 0.005°
• β: 109.502 ± 0.005°
• γ: 119.054 ± 0.005°
• Cell volume: 4586 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for significantly intense reflections: 1.46
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No