Information card for entry 7002066

Structure parameters

• Formula: C40.84 H54.84 Br2 Cl2.53 N4 O4 Pd
• Calculated formula: C40.843 H54.843 Br2 Cl2.529 N4 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: 20.4781 ± 0.0005 Å
• b: 9.916 ± 0.0002 Å
• c: 25.6217 ± 0.0007 Å
• α: 90°
• β: 113.19 ± 0.003°
• γ: 90°
• Cell volume: 4782.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No