Information card for entry 4335113

Structure parameters

• Formula: C49 H47 B Cl2 F4 N6 Ni3 O S3
• Calculated formula: C48.99 H46.98 B Cl1.98 F3.34 N6 Ni3 O S3
• Title of publication: A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand
• Authors of publication: Dan Yuan; Han Vinh Huynh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6627 - 6634
• a: 13.6577 ± 0.0012 Å
• b: 13.6577 ± 0.0012 Å
• c: 45.745 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7389.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No