Information card for entry 7005577

Structure parameters

• Formula: C56 H84 Cl N O5 P2 Pd2
• Calculated formula: C56 H84 Cl N O5 P2 Pd2
• SMILES: [Pd]1([Pd]23([P](Oc4c(cccc4C(C)C)C(C)C)(Oc4c(cccc4C(C)C)C(C)C)N([P]1(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C)CC)[CH2]=[CH]2C3)Cl.O=C(C)C
• Title of publication: Unusual reactivity of a sterically hindered diphosphazane ligand, EtN{P(OR)(2)}(2), (R = C(6)H(3)(Pr(I))(2)-2,6) towards (eta(3)-allyl)palladium precursors.
• Authors of publication: Krishna, Heera; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam; Murugavel, Ramaswamy; Prabusankar, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2908 - 2914
• a: 10.616 ± 0.002 Å
• b: 40.964 ± 0.009 Å
• c: 13.602 ± 0.003 Å
• α: 90°
• β: 96.722 ± 0.004°
• γ: 90°
• Cell volume: 5874 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No