Information card for entry 7010238

Structure parameters

• Formula: C22.5 H22 I2 N4 O0.5 Pd
• Calculated formula: C22.5 H21.5 I2 N4 O0.5 Pd
• Title of publication: Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes
• Authors of publication: Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 111
• a: 10.38 ± 0.001 Å
• b: 8.981 ± 0.001 Å
• c: 25.693 ± 0.003 Å
• α: 90°
• β: 95.946 ± 0.002°
• γ: 90°
• Cell volume: 2382.3 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.032
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No