Information card for entry 4316203

Structure parameters

• Formula: C120 H92 B2 F48 Ni2 O3 P4 S2
• Calculated formula: C120 H92 B2 F48 Ni2 O3 P4 S2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)c3cccc4c3c([P]1(C(C)C)C(C)C)ccc4)[S]1[Ni]3([P](c4c5c(ccc4)cccc5[P]3(C(C)C)C(C)C)(C(C)C)C(C)C)[S]21.c1c([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(cc1C(F)(F)F)C(F)(F)F.c1c(cc(cc1C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F.O(CC)CC.O(CC)CC.O(CC)CC
• Title of publication: Monomeric and Dimeric Disulfide Complexes of Nickel(II)
• Authors of publication: Vlad M. Iluc; Carl A. Laskowski; Carl K. Brozek; Nicole D. Harrold; Gregory L. Hillhouse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6817 - 6819
• a: 24.248 ± 0.003 Å
• b: 18.313 ± 0.002 Å
• c: 29.527 ± 0.004 Å
• α: 90°
• β: 96.573 ± 0.003°
• γ: 90°
• Cell volume: 13025 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1328
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No