Information card for entry 7111089

Structure parameters

• Common name: PPh4, Ni(edt-CN)2
• Chemical name: Bis(2-cyano-1,2-ethylenedithiolate)Nickelate, tetraphenylphosphonium
• Formula: C30 H22 N2 Ni P S4
• Calculated formula: C30 H22 N2 Ni P S4
• SMILES: [Ni]12(SC=C(S1)C#N)SC=C(S2)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.394 ± 0.0012 Å
• b: 11.51 ± 0.0011 Å
• c: 12.8262 ± 0.0013 Å
• α: 64.264 ± 0.01°
• β: 72.777 ± 0.012°
• γ: 83.074 ± 0.012°
• Cell volume: 1447.2 ± 0.3 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: 0.0608
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No