Information card for entry 4305100

Structure parameters

• Formula: C42 H76 B2 Ni2 S7.93
• Calculated formula: C42 H76 B2 Ni2 S7.929
• Title of publication: New Synthetic Routes to a Disulfidodinickel(II) Complex: Characterization and Reactivity of a Ni2(μ-η2:η2-S2) Core
• Authors of publication: Jaeheung Cho; Katherine M. Van Heuvelen; Glenn P. A. Yap; Thomas C. Brunold; Charles G. Riordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3931 - 3933
• a: 9.601 ± 0.004 Å
• b: 11.682 ± 0.004 Å
• c: 12.337 ± 0.005 Å
• α: 64.454 ± 0.004°
• β: 77.614 ± 0.005°
• γ: 84.035 ± 0.005°
• Cell volume: 1219.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No