Information card for entry 7054833

Structure parameters

• Formula: C32 H32 N2 Ni O2 S4
• Calculated formula: C32 H32 N2 Ni O2 S4
• Title of publication: Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes
• Authors of publication: Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5493
• a: 6.4945 ± 0.0007 Å
• b: 11.1068 ± 0.001 Å
• c: 11.7301 ± 0.0013 Å
• α: 101.467 ± 0.009°
• β: 102.098 ± 0.009°
• γ: 106.947 ± 0.009°
• Cell volume: 760.24 ± 0.15 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: 0.0629
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No