Information card for entry 7001637

Structure parameters

• Formula: C26 H28 N8 O14 S2 Zn2
• Calculated formula: C26 H28 N8 O14 S2 Zn2
• SMILES: [n]12[Zn]3([n]4cccc5c4c1c(ccc2)c1c5[nH]cn1)(OS(=O)(=O)O[Zn]1([n]2cccc4c5c(c6ccc[n]1c6c24)[nH]cn5)(OS(=O)(=O)O3)([OH2])[OH2])([OH2])[OH2].O.O
• Title of publication: Interplay of coordinative and supramolecular interactions in formation of a series of metal–organic complexes bearing diverse dimensionalities
• Authors of publication: Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5365 - 5378
• a: 10.31 ± 0.005 Å
• b: 9.031 ± 0.004 Å
• c: 17.003 ± 0.008 Å
• α: 90°
• β: 98.96 ± 0.009°
• γ: 90°
• Cell volume: 1563.8 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No