Information card for entry 7021910

Structure parameters

• Formula: C36 H36 N2 O2 P2 Pd Se2
• Calculated formula: C36 H36 N2 O2 P2 Pd Se2
• SMILES: [Pd]1([Se]c2ccncc2)([Se]c2ccncc2)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.O.O
• 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: 15.7931 ± 0.0008 Å
• b: 10.5303 ± 0.0005 Å
• c: 21.2888 ± 0.0011 Å
• α: 90°
• β: 105.65 ± 0.003°
• γ: 90°
• Cell volume: 3409.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No