Information card for entry 4302527

Structure parameters

• Common name: [Ni(pdtc)-carbene](0.25THF)
• Formula: C19 H25 N3 Ni O2.25 S2
• Calculated formula: C19 H25 N3 Ni O2.25 S2
• Title of publication: Cleavage of Ni-(μ2-S)-Ni Bridges in Dinuclear Nickel(II) Dithiolate Pincer Complexes and Related Reactions
• Authors of publication: Deguang Huang; Liang Deng; Jibin Sun; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6159 - 6166
• a: 23.468 ± 0.0004 Å
• b: 26.3561 ± 0.0004 Å
• c: 14.0373 ± 0.0002 Å
• α: 90°
• β: 99.714 ± 0.001°
• γ: 90°
• Cell volume: 8557.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No