Information card for entry 7009014

Structure parameters

• Chemical name: [Zn(maleic)(thiourea)2]n
• Formula: C6 H10 N4 O4 S2 Zn
• Calculated formula: C6 H10 N4 O4 S2 Zn
• SMILES: [Zn]1([S]=C(N)N)([S]=C(N)N)OC(=O)C=CC(=O)O1
• 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: 14.48 ± 0.01 Å
• b: 15.64 ± 0.01 Å
• c: 10.957 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481 ± 3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No