Information card for entry 7016807

Structure parameters

• Formula: C48.5 H49 N5 O2 P2 Pd
• Calculated formula: C48.5 H49 N5 O2 P2 Pd
• Title of publication: Contrasting behaviour of TCNE and TCNQ zwitterionic benzoquinonemonoimine derivatives and coordination of a tricyanoethenyl substituent to Pd(0).
• Authors of publication: Kauf, Thomas; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 9967 - 9970
• a: 9.271 ± 0.002 Å
• b: 18.088 ± 0.006 Å
• c: 27.541 ± 0.009 Å
• α: 90°
• β: 105.64 ± 0.02°
• γ: 90°
• Cell volume: 4447 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1226
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No