Information card for entry 7035156

Structure parameters

• Formula: C45 H74 B N2 Nd O3
• Calculated formula: C45 H74 B N2 Nd O3
• SMILES: C1C[N](C)(C)[Nd]2345([H][BH]([H]4)[H]5)([N]1(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3)[O]1CCCC1.c1(ccccc1)C
• Title of publication: Bis(phenolate)amine-supported lanthanide borohydride complexes for styrene and trans-1,4-isoprene (co-)polymerisations.
• Authors of publication: Bonnet, Fanny; Dyer, Hellen E.; El Kinani, Yassine; Dietz, Carin; Roussel, Pascal; Bria, Marc; Visseaux, Marc; Zinck, Philippe; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12312 - 12325
• a: 10.7017 ± 0.0005 Å
• b: 22.839 ± 0.001 Å
• c: 19.6186 ± 0.0009 Å
• α: 90°
• β: 93.341 ± 0.001°
• γ: 90°
• Cell volume: 4787 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1281
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No