Information card for entry 4305101

Structure parameters

• Formula: C42 H76 B2 Ni2 S7
• Calculated formula: C42 H76 B2 Ni2 S7
• SMILES: [B]12(C[S](C(C)(C)C)[Ni]([S](C1)C(C)(C)C)(S[Ni]13[S](C[B](c4ccccc4)(C[S]1C(C)(C)C)C[S]3C(C)(C)C)C(C)(C)C)[S](C2)C(C)(C)C)c1ccccc1
• 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: 9.4632 ± 0.0011 Å
• b: 11.6124 ± 0.0014 Å
• c: 12.4011 ± 0.0014 Å
• α: 63.307 ± 0.005°
• β: 80.785 ± 0.006°
• γ: 84.638 ± 0.006°
• Cell volume: 1201.5 ± 0.2 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: 0.0467
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No