Information card for entry 4309876

Structure parameters

• Chemical name: cis-Dichloro(triethylphosphine)(1,3-di-tert-butyl- 2,4-bis(2-methoxyphenoxy)-[1,3,2,4]diazadiphosphetidine- κ-P)palladium(II)
• Formula: C28 H47 Cl2 N2 O4 P3 Pd
• Calculated formula: C28 H47 Cl2 N2 O4 P3 Pd
• SMILES: [Pd](Cl)(Cl)([P]1(N(C(C)(C)C)P(Oc3ccccc3OC)N1C(C)(C)C)Oc1ccccc1OC)[P](CC)(CC)CC
• Title of publication: Cyclodiphosphazanes with Hemilabile Ponytails: Synthesis, Transition Metal Chemistry (Ru(II), Rh(I), Pd(II), Pt(II)), and Crystal and Molecular Structures of Mononuclear (Pd(II), Rh(I)) and Bi- and Tetranuclear Rhodium(I) Complexes
• Authors of publication: P. Chandrasekaran; Joel T. Mague; Maravanji S. Balakrishna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7925 - 7932
• a: 22.008 ± 0.003 Å
• b: 9.453 ± 0.001 Å
• c: 16.257 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No