Information card for entry 7017133

Structure parameters

• Formula: C134 H232 N4 Na Ni O116 S4
• Calculated formula: C134 H232 N4 Na Ni O116 S4
• SMILES: [C@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@H]2O[C@@H]([C@H]([C@H](O)[C@H]2O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@@H](O)[C@@H]([C@@H](CO)O2)O[C@@H]2[C@H](O)[C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O1)O)O)O)O)O)O)O)O)CO)O)O.OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@@H](O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@H](O)[C@H]3O)O[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@H]([C@H](O[C@@H]3CO)O2)O)O)O)O1)O)O.N#CC1=C(S[Ni]2(S1)SC(=C(S2)C#N)C#N)C#N.[C@H]12[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O1)O)O)CO)O)O)O)O)O)O)O)O)O)O.O.O.O.O.O.O.O.O.O.O.[Na+].O
• Title of publication: An interesting molecular-assembly of β-cyclodextrin pipelines with embedded hydrophilic nickel maleonitriledithiolate.
• Authors of publication: Cheng, Xian; Lu, Zhenda; Li, Yizhi; Wang, Qi; Lu, Changsheng; Meng, Qingjin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11788 - 11794
• a: 28.924 ± 0.003 Å
• b: 30.137 ± 0.003 Å
• c: 22.814 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19887 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No