Information card for entry 7009015

Structure parameters

• Formula: C10 H16 Cd N4 O10 S2
• Calculated formula: C10 H16 Cd N4 O10 S2
• SMILES: C(N)(=[S][Cd](OC(=O)/C=C\C(=O)O)(OC(=O)/C=C\C(=O)O)([OH2])([OH2])[S]=C(N)N)N
• Title of publication: Thermodynamically controlled products: novel motif of metallohelicates stabilized by inter- and intra-helix hydrogen bonds
• Authors of publication: Zhang, Yugen; Jianmin, Li; Nishiura, Masayoshi; Hou, Hongyi; Deng, Wei; Imamoto, Tsuneo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 293
• a: 5.804 ± 0.002 Å
• b: 24.97 ± 0.02 Å
• c: 6.19 ± 0.005 Å
• α: 90°
• β: 92.9 ± 0.06°
• γ: 90°
• Cell volume: 895.9 ± 1.1 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.788
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No