Information card for entry 7011812

Structure parameters

• Formula: C36 H180 Ni9 O S18
• Calculated formula: C108 H90 Ni9 O4.88 S18
• 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: 18.0237 ± 0.0011 Å
• b: 18.0237 ± 0.0011 Å
• c: 21.1181 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5941.2 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No