Information card for entry 7021912

Structure parameters

• Formula: C33 H57 Cl3 N3 P3 Pd3 Se3
• Calculated formula: C33 H57 Cl3 N3 P3 Pd3 Se3
• SMILES: c12cc[n](cc1)[Pd]([Se]c1cc[n](cc1)[Pd]([Se]c1cc[n](cc1)[Pd]([Se]2)(Cl)[P](CC)(CC)CC)(Cl)[P](CC)(CC)CC)(Cl)[P](CC)(CC)CC
• 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: 14.25 ± 0.0012 Å
• b: 13.984 ± 0.006 Å
• c: 24.4 ± 0.005 Å
• α: 90°
• β: 105.33 ± 0.013°
• γ: 90°
• Cell volume: 4689 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.3474
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No