Information card for entry 7102410

Structure parameters

• Common name: Pd-macrocycle-barbiturate complex
• Formula: C72 H59.6 Cl6 I N8 O7.3 P2 Pd
• Calculated formula: C72 H58 Cl6 I N8 O7.3 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: 14.497 ± 0.003 Å
• b: 29.039 ± 0.006 Å
• c: 33.189 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13972 ± 5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No