Information card for entry 7102411

Structure parameters

• Common name: Pd-I-benzene-macrocycle, loose barbiturate
• Formula: C75 H65 Cl6 I N8 O7 P2 Pd
• Calculated formula: C75 H65 Cl6 I N8 O7 P2 Pd
• Title of publication: Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies.
• Authors of publication: Larsen, Jens; Rasmussen, Brian S; Hazell, Rita G; Skrydstrup, Troels
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 2
• Pages of publication: 202 - 203
• a: 9.743 ± 0.002 Å
• b: 21.892 ± 0.003 Å
• c: 17.36 ± 0.003 Å
• α: 90°
• β: 91.177 ± 0.005°
• γ: 90°
• Cell volume: 3702 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No