Information card for entry 7013813

Structure parameters

• Formula: C52 H40 N4 P2 Pd S4
• Calculated formula: C52 H40 N4 P2 Pd S4
• Title of publication: Synthesis and characterisation of cyanodithioimidocarbonate [C2N2S2]2- complexes.
• Authors of publication: Burchell, Colin J.; Aucott, Stephen M.; Milton, Heather L.; Slawin, Alexandra M. Z.; Derek Woollins, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 369 - 374
• a: 10.861 ± 0.002 Å
• b: 14.54 ± 0.003 Å
• c: 15.163 ± 0.003 Å
• α: 88.894 ± 0.011°
• β: 88.705 ± 0.01°
• γ: 83.598 ± 0.01°
• Cell volume: 2378.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No