Information card for entry 7040763

Structure parameters

• Formula: C30 H28 Cl6 N4 P2 Pd
• Calculated formula: C28 H24 Cl2 N4 P2 Pd
• SMILES: [Pd]1([P](c2ncccc2)(c2ccccn2)Cc2c(C[P]1(c1ncccc1)c1ncccc1)cccc2)(Cl)Cl
• Title of publication: Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.
• Authors of publication: Vaughan, Teresa F.; Spencer, John L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16826 - 16837
• a: 14.43316 ± 0.00019 Å
• b: 10.2502 ± 0.0002 Å
• c: 22.5901 ± 0.0005 Å
• α: 90°
• β: 90.1316 ± 0.0015°
• γ: 90°
• Cell volume: 3342.03 ± 0.11 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No