Information card for entry 4069414

Structure parameters

• Formula: C60 H66 Cl2 N4 P2 Pd
• Calculated formula: C60 H66 Cl2 N4 P2 Pd
• Title of publication: Synthesis of Aminoiminophosphoranate Complexes of Palladium and Platinum and X-ray Diffractional Investigation of the Weak C−H···Pd Interactions Affecting the Geometry of the PdNPN Metallacycles
• Authors of publication: Peganova, Tat’yana A.; Valyaeva, Anna V.; Kalsin, Alexander M.; Petrovskii, Pavel V.; Borissova, Alexandra O.; Lyssenko, Konstantin A.; Ustynyuk, Nikolai A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3021
• a: 9.363 ± 0.002 Å
• b: 22.507 ± 0.005 Å
• c: 13.716 ± 0.002 Å
• α: 90°
• β: 98.309 ± 0.007°
• γ: 90°
• Cell volume: 2860.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No