Information card for entry 4082457

Structure parameters

• Formula: C17 H38 B F4 N P2 Pd
• Calculated formula: C17 H38 B F4 N P2 Pd
• Title of publication: Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide
• Authors of publication: Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 692
• a: 10.4941 ± 0.0005 Å
• b: 15.5535 ± 0.0007 Å
• c: 14.7277 ± 0.0007 Å
• α: 90°
• β: 101.492 ± 0.002°
• γ: 90°
• Cell volume: 2355.66 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No