Information card for entry 7011811

Structure parameters

• Formula: C152 H150 Ni11 O5 S22
• Calculated formula: C152 H150 Ni11 O5 S22
• Title of publication: Cyclo-[Ni(μ~2~-SPh)~2~]~9~ and cyclo-[Ni(μ~2~-SPh)~2~]~11~: new oligomeric types of toroidal nickel(ii) thiolates containing geometrically unprecedented 9- and 11-membered ring systems
• Authors of publication: Ivanov, Sergei A.; Kozee, Michael A.; Alex Merrill, W.; Agarwal, Sorabh; Dahl, Lawrence F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4105 - 4115
• a: 17.5354 ± 0.0018 Å
• b: 19.518 ± 0.002 Å
• c: 24.994 ± 0.003 Å
• α: 82.095 ± 0.002°
• β: 75.406 ± 0.002°
• γ: 72.38 ± 0.002°
• Cell volume: 7872.5 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.2398
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No