Information card for entry 7005579

Structure parameters

• Formula: C53 H79 Cl2 N O5 P2 Pd2
• Calculated formula: C53 H78 Cl2 N O5 P2 Pd2
• SMILES: c1(c(cccc1C(C)C)C(C)C)OP(=O)(Oc1c(cccc1C(C)C)C(C)C)[Pd]1([Cl][Pd]23([CH2]=[CH]2C3)[Cl]1)[P](NCC)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)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: 10.6926 ± 0.0013 Å
• b: 22.839 ± 0.003 Å
• c: 24.066 ± 0.003 Å
• α: 90°
• β: 98.332 ± 0.002°
• γ: 90°
• Cell volume: 5815.1 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No