Information card for entry 7010377

Structure parameters

• Formula: C26 H36 Ni O6 Rb S10
• Calculated formula: C26 H36 Ni O6 Rb S10
• SMILES: C1(SC2=C(S1)S[Ni]1(S2)SC2=C(SC(=S)S2)S1)=S.[Rb]12345[O]6CC[O]2CC[O]3[C@@H]2CCCC[C@@H]2[O]1CC[O]4CC[O]5[C@H]1CCCC[C@H]16
• Title of publication: Unique structural topologies involving metal‒metal and metal‒sulfur interactions: salts of [Ni(C3S5)2]x− with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions
• Authors of publication: Cronin, Leroy; Clark, Stewart J.; Parsons, Simon; Nakamura, Takayoshi; Robertson, Neil
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1347
• a: 10.706 ± 0.003 Å
• b: 10.846 ± 0.003 Å
• c: 16.196 ± 0.004 Å
• α: 90°
• β: 106.999 ± 0.017°
• γ: 90°
• Cell volume: 1798.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No