Information card for entry 7002063

Structure parameters

• Formula: C63 H74 Br2 N5 O4 Pd
• Calculated formula: C63 H74 Br2 N5 O4 Pd
• Title of publication: Palladium complexes of o-xylyl-linked alkoxybenzimidazolin-2-ylidenes: interesting structural conformations and application as pre-catalysts
• Authors of publication: Baker, Murray V.; Brown, David H.; Simpson, Peter V.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7294
• a: 17.652 ± 0.005 Å
• b: 18.28 ± 0.005 Å
• c: 18.705 ± 0.005 Å
• α: 82.53 ± 0.02°
• β: 80.84 ± 0.02°
• γ: 73.94 ± 0.02°
• Cell volume: 5703 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2099
• Residual factor for significantly intense reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.348
• Weighted residual factors for all reflections included in the refinement: 0.3772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No