Information card for entry 7021906

Structure parameters

• Formula: C44 H40 Cl N O P2 Pd Se
• Calculated formula: C44 H40 Cl N O P2 Pd Se
• SMILES: [Pd]([Se]c1ccncc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.O=C(C)C
• Title of publication: Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.
• Authors of publication: Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14158 - 14167
• a: 10.4301 ± 0.0003 Å
• b: 16.8918 ± 0.0006 Å
• c: 43.8939 ± 0.0014 Å
• α: 90°
• β: 93.019 ± 0.002°
• γ: 90°
• Cell volume: 7722.6 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No