Information card for entry 1100745

Structure parameters

• Common name: (n-Bu4N)2[Ni(mant)2]
• Formula: C32 H24 N4 Ni O2 P S4
• Calculated formula: C32 H24 N4 Ni O2 P S4
• 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: 10.1114 ± 0.0016 Å
• b: 13.1679 ± 0.0017 Å
• c: 14.002 ± 0.002 Å
• α: 72.019 ± 0.016°
• β: 70.639 ± 0.017°
• γ: 77.02 ± 0.017°
• Cell volume: 1657.4 ± 0.5 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: 0.1752
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No