Information card for entry 7203974

Structure parameters

• Common name: TBA[Ni(fcvdt)2](COMe2)0.5
• Formula: C45.5 H59 Fe2 N Ni O0.5 S8
• Calculated formula: C45.5 H56 Fe2 N Ni O0.5 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: 19.503 ± 0.004 Å
• b: 10.841 ± 0.003 Å
• c: 24.137 ± 0.005 Å
• α: 90°
• β: 97.13 ± 0.03°
• γ: 90°
• Cell volume: 5064 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No