Information card for entry 7009013

Structure parameters

• Chemical name: [Zn(maleic)(thiourea)(H2O)]2.4H2O
• Formula: C5 H12 N2 O7 S Zn
• Calculated formula: C5 H8 N2 O7 S Zn
• SMILES: [Zn]1([S]=C(N)N)(OC(=O)C=CC(O1)=O)[OH2].O.O
• 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: 9.087 ± 0.009 Å
• b: 9.859 ± 0.01 Å
• c: 6.87 ± 0.01 Å
• α: 108.65 ± 0.08°
• β: 96.21 ± 0.05°
• γ: 97.77 ± 0.09°
• Cell volume: 570.2 ± 1.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 2.95
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No