Information card for entry 2013248

Structure parameters

• Chemical name: Bis(triphenylphosphine)(tetracyanoethene)palladium‒dichloromethane (1/0.7)
• Formula: C42.7 H31.4 Cl1.4 N4 P2 Pd
• Calculated formula: C42.7 H31.4 Cl1.4 N4 P2 Pd
• Title of publication: (η^2^-Tetracyanoethene)bis(triphenylphosphine-κ<i>P</i>)palladium‒dichloromethane (1/0.7)
• Authors of publication: Zoe Shackleton; Colin A. Kilner; Gavin D. Reid; Malcolm A. Halcrow
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m136 - m138
• a: 10.3363 ± 0.0001 Å
• b: 37.2805 ± 0.0004 Å
• c: 10.8142 ± 0.0001 Å
• α: 90°
• β: 111.146 ± 0.0007°
• γ: 90°
• Cell volume: 3886.56 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes