Information card for entry 2014277

Structure parameters

• Chemical name: Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate
• Formula: C32 H26 N8 O8 Pd
• Calculated formula: C32 H26 N8 O8 Pd
• SMILES: N(=O)(=O)[O-].[Pd]12([n]3c(C(c4cccc[n]14)(c1ccccn1)O)cccc3)[n]1c(C(c3cccc[n]23)(c2ccccn2)O)cccc1.N(=O)(=O)[O-]
• Title of publication: Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K
• Authors of publication: Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m305 - m307
• a: 8.43 ± 0.003 Å
• b: 10.431 ± 0.004 Å
• c: 17.67 ± 0.02 Å
• α: 90°
• β: 95.54 ± 0.06°
• γ: 90°
• Cell volume: 1546.5 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.114
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections: 1.585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes