Information card for entry 4063507

Structure parameters

• Formula: C56 H55 Cl5 O3 P2 Pd
• Calculated formula: C56 H55 Cl5 O3 P2 Pd
• Title of publication: First Optically Active Phosphapalladacycle Bearing a Phosphorus Atom in an Axially Chiral Environment
• Authors of publication: Dunina, Valery V.; Zykov, Pavel A.; Livantsov, Michail V.; Glukhov, Ivan V.; Kochetkov, Konstantin A.; Gloriozov, Igor P.; Grishin, Yuri K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 425 - 432
• a: 12.9201 ± 0.0007 Å
• b: 14.3239 ± 0.0008 Å
• c: 16.3593 ± 0.0014 Å
• α: 111.534 ± 0.002°
• β: 106.222 ± 0.002°
• γ: 98.294 ± 0.001°
• Cell volume: 2598.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0945
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No