Information card for entry 7203975

Structure parameters

• Common name: TBA[Ni(dfcvdt)2](COMe2)
• Formula: C67 H78 Fe4 N Ni O S8
• Calculated formula: C67 H36 Fe4 N Ni O S8
• Title of publication: Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes
• Authors of publication: Lee, Ha-Jin; Noh, Dong-Youn
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 2167
• a: 20.457 ± 0.014 Å
• b: 39.22 ± 0.013 Å
• c: 8.496 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6817 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2474
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.3047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No