Information card for entry 2204796

Structure parameters

• Chemical name: bis{μ-1-[4-(carbodiimido)phenyl]tetrazolato-κ^2^N:C^5^} bis[bis(trimethylphosphine-κP)palladium(II)]
• Formula: C28 H44 N12 P4 Pd2
• Calculated formula: C28 H44 N12 P4 Pd2
• SMILES: c12nnnn1c1ccc(cc1)N=C=N[Pd](c1nnnn1c1ccc(cc1)N=C=N[Pd]2([P](C)(C)C)[P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: A cyclic dipalladium compound formed by concomitant N‒C coupling and [2+3]-cycloaddition: bis{μ-1-[4-(carbodiimido)phenyl]tetrazolato-κ^2^<i>N</i>:<i>C</i>^5^}bis[bis(trimethylphosphine-κ<i>P</i>)palladium(II)]
• Authors of publication: Han, Won Seok; Lee, Hee Keun; Kim, Yong-Joo; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1813 - m1814
• a: 8.842 ± 0.003 Å
• b: 9.519 ± 0.003 Å
• c: 11.996 ± 0.003 Å
• α: 99.095 ± 0.019°
• β: 103.42 ± 0.02°
• γ: 90.85 ± 0.02°
• Cell volume: 968.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes