Information card for entry 1100740

Structure parameters

• Common name: (PPh4)[Ni(midt)2]
• Formula: C32 H22 N2 Ni O4 P S4
• Calculated formula: C32 H22 N2 Ni O4 P S4
• SMILES: [Ni]12(SC3=C(S2)C(=O)NC3=O)SC2=C(S1)C(=O)NC2=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups
• Authors of publication: Stéphane A. Baudron; Narcis Avarvari; Patrick Batail
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3380 - 3382
• a: 10.9413 ± 0.0017 Å
• b: 11.9501 ± 0.0017 Å
• c: 13.0235 ± 0.0016 Å
• α: 77.422 ± 0.016°
• β: 76.19 ± 0.017°
• γ: 74.858 ± 0.017°
• Cell volume: 1574.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No