Information card for entry 7210342

Structure parameters

• Formula: C44 H36 N4 O12 Zn2
• Calculated formula: C44 H36 N4 O12 Zn2
• SMILES: c1[n]2c3c(cc1)ccc1ccc[n](c31)[Zn]132(OC(=O)c2ccc(O[C@H](C4=[O][Zn]5([n]6cccc7ccc8ccc[n]5c8c67)(OC(=O)c5ccc(O[C@@H](C(=[O]1)O3)C)cc5)(O4)[OH2])C)cc2)[OH2]
• Title of publication: A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties
• Authors of publication: Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6769
• a: 8.9669 ± 0.0013 Å
• b: 9.9577 ± 0.0015 Å
• c: 12.1033 ± 0.0018 Å
• α: 107.249 ± 0.002°
• β: 92.764 ± 0.002°
• γ: 106.282 ± 0.002°
• Cell volume: 980.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No