Information card for entry 7201822

Structure parameters

• Common name: hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)
• Chemical name: hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)
• Formula: C66 H66 N12 O18 Pd3
• Calculated formula: C66 H66 N12 O18 Pd3
• SMILES: c1(cccc2[n]1[Pd]([n]1c(NC(=O)c3cc4C(=O)Nc5[n](c(ccc5)C)[Pd]([n]5c(cccc5NC(=O)c5cc(C(=O)N2)cc(C(=O)Nc2cccc(C)[n]2[Pd]([n]2c(cccc2NC(=O)c(c3)c4)C)(OC(=O)C)OC(=O)C)c5)C)(OC(=O)C)OC(=O)C)cccc1C)(OC(=O)C)OC(=O)C)C
• Title of publication: Flattened trigonal bipyramidal coordination assembly with trans geometry
• Authors of publication: Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 276
• a: 22.64 ± 0.0011 Å
• b: 22.64 ± 0.0011 Å
• c: 19.219 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8531.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1866
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.3427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No