Information card for entry 7010376

Structure parameters

• Formula: C46 H72 Ni O12 Rb2 S10
• Calculated formula: C46 H72 Ni O12 Rb2 S10
• SMILES: [Ni]12(SC3=C(SC(=S)S3)S1)SC1=C(S2)SC(=S)S1.[Rb]12345[O]6CC[O]2CC[O]3[C@@H]2[C@H]([O]1CC[O]4CC[O]5[C@H]1[C@@H]6CCCC1)CCCC2.[Rb]12345[O]6CC[O]2CC[O]3[C@@H]2[C@H]([O]1CC[O]4CC[O]5[C@H]1[C@@H]6CCCC1)CCCC2
• 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: 14.636 ± 0.007 Å
• b: 8.484 ± 0.006 Å
• c: 24.44 ± 0.007 Å
• α: 90°
• β: 94.71 ± 0.03°
• γ: 90°
• Cell volume: 3025 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No