Information card for entry 4075694

Structure parameters

• Formula: C31 H42 Cl4 P2 Pd
• Calculated formula: C31 H42 Cl4 P2 Pd
• SMILES: [Pd]1([P]2(Cc3c(c4c(C[P]51C1CCCC5CCC1)cccc4)cccc3)C1CCCC2CCC1)(Cl)Cl.C(Cl)Cl
• Title of publication: Nine-Membered Trans Square-Planar Chelates Formed by a bisbi Analogue
• Authors of publication: Eberhard, Michael R.; Heslop, Katie M.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 335
• a: 16.725 ± 0.002 Å
• b: 11.2189 ± 0.0019 Å
• c: 17.095 ± 0.003 Å
• α: 90°
• β: 102.016 ± 0.015°
• γ: 90°
• Cell volume: 3137.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No