Information card for entry 7111088

Structure parameters

• Common name: (PPh4)2(Ni(edt-CN)2)
• Chemical name: Bis(tetraphenylphosphonium) bis(1-cyano-1,2-dithioethylene)nickelate
• Formula: C54 H42 N2 Ni P2 S4
• Calculated formula: C54 H42 N2 Ni P2 S4
• Title of publication: [Ni(edt-CN)2]−·, a novel paramagnetic nickel dithiolene complex analog of Ni(mnt)2−· with two cyano groups only
• Authors of publication: Fourmigué, Marc; Bertran, Josep N.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2111
• a: 20.523 ± 0.004 Å
• b: 11.22 ± 0.002 Å
• c: 21.304 ± 0.004 Å
• α: 90°
• β: 107.33 ± 0.03°
• γ: 90°
• Cell volume: 4682.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No