Information card for entry 7024745

Structure parameters

• Common name: (tetra-n-butylammonium)(cis-(7-azaindolato-kN1)(7- azaindole-ckappaN7)-bis(pentafluorophenyl)palladate(ii)).7-azaindole
• Chemical name: (tetra-n-butylammonium)[cis-(7-azaindolato-κN1)(7-azaindole-κN7)- bis(pentafluorophenyl)palladate(II)].7-azaindole
• Formula: C49 H53 F10 N7 Pd
• Calculated formula: C49 H53 F10 N7 Pd
• SMILES: [Pd](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)([n]1cccc2cc[nH]c12)n1ccc2cccnc12.[N+](CCCC)(CCCC)(CCCC)CCCC.[nH]1ccc2cccnc12
• Title of publication: New 7-azaindole palladium and platinum complexes: crystal structures and theoretical calculations. In vitro anticancer activity of the platinum compounds.
• Authors of publication: Ruiz, José; Rodríguez, Venancio; de Haro, Concepción; Espinosa, Arturo; Pérez, José; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 13
• Pages of publication: 3290 - 3301
• a: 11.0967 ± 0.0005 Å
• b: 18.6148 ± 0.0008 Å
• c: 22.5261 ± 0.001 Å
• α: 90°
• β: 93.217 ± 0.001°
• γ: 90°
• Cell volume: 4645.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No