Information card for entry 2012820

Structure parameters

• Chemical name: Bis(tetra-n-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^C^1^,C^4^)palladium(0)]
• Formula: C56 H96 Cl2 N2 O16 Pd2
• Calculated formula: C56 H96 Cl2 N2 O16 Pd2
• SMILES: C1([Pd]2(C(=C(C=1C(=O)OC)C(=O)OC)C(=O)OC)[Cl][Pd]1(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)[Cl]2)C(=O)OC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) di-μ-chloro-bis[(tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylato-κ^2^<i>C</i>^1^,<i>C</i>^4^)palladium]
• Authors of publication: Pérez, José; García, Luis; Serrano, Jose Luis; Pérez, Eduardo; Sánchez, Gregorio; Vives, Jorge
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m404 - m406
• a: 9.5024 ± 0.0006 Å
• b: 12.6678 ± 0.0007 Å
• c: 14.637 ± 0.001 Å
• α: 95.929 ± 0.005°
• β: 106.777 ± 0.005°
• γ: 104.1 ± 0.005°
• Cell volume: 1607.25 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes