Information card for entry 7104629

Structure parameters

• Formula: C54 H64 B4 Li2 O P4
• Calculated formula: C54 H64 B4 Li2 O P4
• SMILES: P1(=C[P](c2ccccc2)(c2ccccc2)[BH]2[H][Li]3(C4[P](c5ccccc5)(c5ccccc5)[BH]5[H][Li]6([O](CC)CC)([H]5)[H][BH]([P]4(c4ccccc4)c4ccccc4)[H]6)([H][BH]1[H]3)[H]2)(c1ccccc1)c1ccccc1
• Title of publication: Bonding mode of a new bis-phosphine-borane alkyl ligand to a Rh(I) species.
• Authors of publication: Blug, Matthias; Grünstein, Dan; Alcaraz, Gilles; Sabo-Etienne, Sylviane; Le Goff, Xavier-Frederic; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 29
• Pages of publication: 4432 - 4434
• a: 9.875 ± 0.001 Å
• b: 11.398 ± 0.001 Å
• c: 25.171 ± 0.001 Å
• α: 99.319 ± 0.001°
• β: 95.282 ± 0.001°
• γ: 107.191 ± 0.001°
• Cell volume: 2641.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0798
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No