Information card for entry 4349516

Structure parameters

• Common name: L1
• Chemical name: L1
• Formula: C42 H46 Cl18 N6 O4
• Calculated formula: C42 H46 Cl18 N6 O4
• SMILES: CC1(C)COC(=N1)c1cc(c2ccc(c3cc(C4=NC(C)(C)CO4)nc(c3)C3=NC(CO3)(C)C)cc2)cc(n1)C1=NC(CO1)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Fluorescence tuning of Zn(ii)-based metallo-supramolecular coordination polymers and their application for picric acid detection
• Authors of publication: Li, Hong-Qing; Ding, Zhong-Yu; Pan, Yao; Liu, Chun-Hua; Zhu, Yuan-Yuan
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 1363
• a: 9.824 ± 0.002 Å
• b: 10.344 ± 0.002 Å
• c: 15.141 ± 0.003 Å
• α: 88.4 ± 0.03°
• β: 73.13 ± 0.03°
• γ: 88.03 ± 0.03°
• Cell volume: 1471.3 ± 0.6 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0665
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No