Information card for entry 4113180

Structure parameters

• Common name: ((Ibiox12)PdCl2)2 hexane sovate
• Chemical name: Bis[dispiro(cyclododecane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1"-cyclododecane-5'-ylidine)-dichloro-palladium] hexane solvate
• Formula: C66 H114.75 Cl4 N4 O4 Pd2
• Calculated formula: C65.96 Cl4 N4 O4 Pd2
• Title of publication: Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis
• Authors of publication: Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15195 - 15201
• a: 31.189 ± 0.0017 Å
• b: 8.7086 ± 0.0004 Å
• c: 23.9041 ± 0.0011 Å
• α: 90°
• β: 94.711 ± 0.002°
• γ: 90°
• Cell volume: 6470.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No