Information card for entry 4069412

Structure parameters

• Formula: C48 H47 Cl N2 P2 Pd
• Calculated formula: C48 H47 Cl N2 P2 Pd
• SMILES: [Pd]1(Cl)([N](c2ccc(cc2)C(C)C)=P(N1c1ccc(cc1)C(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.314 ± 0.004 Å
• b: 12.219 ± 0.004 Å
• c: 18.221 ± 0.007 Å
• α: 94.734 ± 0.006°
• β: 94.295 ± 0.007°
• γ: 114.159 ± 0.006°
• Cell volume: 2073.1 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No