Information card for entry 7020410

Structure parameters

• Formula: C48 H48 Cl5 F6 N2 P3 Pd
• Calculated formula: C48 H48 Cl5 F6 N2 P3 Pd
• Title of publication: Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P', κ2-P,P' and κ3-P,C,P' coordination modes.
• Authors of publication: Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12395 - 12407
• a: 26.772 ± 0.0009 Å
• b: 14.659 ± 0.0006 Å
• c: 28.2434 ± 0.0013 Å
• α: 90°
• β: 117.031 ± 0.002°
• γ: 90°
• Cell volume: 9873.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No