Information card for entry 7011810

Structure parameters

• Formula: C132 H110 Ni11 O5 S22
• Calculated formula: C157.548 H161.096 Ni11 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: 18.888 ± 0.002 Å
• b: 29.401 ± 0.004 Å
• c: 28.354 ± 0.004 Å
• α: 90°
• β: 98.995 ± 0.003°
• γ: 90°
• Cell volume: 15552 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No