Information card for entry 2213001

Structure parameters

• Chemical name: cis-Bis(μ-5-phenyl-3-p-tolylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl-2,2'- bipyridine-κ^2^N,N')palladium(II)] trans-bis(μ-5-phenyl-3-p-tolylpyrazolato-κ^2^N:N')-bis[(4,4'-dimethyl-2,2'- bipyridine-κ^2^N,N')palladium(II)] tetrakis(tetrafluoridoborate) acetonitrile octasolvate monohydrate
• Formula: C128 H126 B4 F16 N24 O Pd4
• Calculated formula: C128 H126 B4 F16 N24 O Pd4
• Title of publication: <i>cis</i>-Bis(μ-5-phenyl-3-<i>p</i>-tolylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] <i>trans</i>-bis(μ-5-phenyl-3-<i>p</i>-tolylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] tetrakis(tetrafluoridoborate) acetonitrile octasolvate monohydrate
• Authors of publication: Hai-Ping Huang; Hong-Wei Ma; Yi-Zhi Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1089 - m1091
• a: 22.7413 ± 0.001 Å
• b: 21.5244 ± 0.0007 Å
• c: 28.4239 ± 0.0011 Å
• α: 90°
• β: 99.411 ± 0.003°
• γ: 90°
• Cell volume: 13726 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes