Information card for entry 2311857

Structure parameters

• Chemical name: Bis[di-μ-bromido-bis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II))] <i>cyclo</i>-tetra-μ-bromido-tetrakis({η^3^-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II)) octakis(tetrafluoroborate) dichloromethane octasolvate
• Formula: C184 H224 B8 Br8 Cl16 F32 N16 Pd8
• Calculated formula: C184 H224 B8 Br8 Cl16 F32 N16 Pd8
• Title of publication: A Pd4Br4 macrocycle trapped by cocrystallization from a highly dynamic equilibrium of η(3)-cycloheptatrienide complexes.
• Authors of publication: Jandl, C.; Stegbauer, S.; Pöthig, A
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 7
• Pages of publication: 509 - 513
• a: 15.7247 ± 0.0004 Å
• b: 18.8101 ± 0.0005 Å
• c: 19.1726 ± 0.0005 Å
• α: 78.2025 ± 0.0013°
• β: 82.7526 ± 0.0014°
• γ: 85.7404 ± 0.0012°
• Cell volume: 5499.9 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No