Information card for entry 7005580

Structure parameters

• Formula: C106 H158 Cl2 N2 O12 P4 Pd2
• Calculated formula: C106 H158 Cl2 N2 O12 P4 Pd2
• SMILES: [Pd]1([Cl][Pd]([Cl]1)([P](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)NCC)P(=O)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C)([P](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)NC=C)P(=O)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.O=C(C)C.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: 12.134 ± 0.002 Å
• b: 17.393 ± 0.003 Å
• c: 27.747 ± 0.005 Å
• α: 85.016 ± 0.004°
• β: 79.956 ± 0.004°
• γ: 73.461 ± 0.004°
• Cell volume: 5523.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No