Information card for entry 4344881

Structure parameters

• Formula: C25 H42 N2 O18 Zn2
• Calculated formula: C25 H41 N2 O18 Zn2
• SMILES: [Zn]1234[O]5[Zn]6([OH]CC([N]6=Cc6c5c(C=[N]3C(CO)(C[OH]1)CO)cc(c6)C(=O)OCC)(CO)CO)([O]=C(O2)C)OC(=[O]4)C.O=C([O-])C.O.O.O
• Title of publication: Multifunctional Zn(II) Complexes: Photophysical Properties and Catalytic Transesterification toward Biodiesel Synthesis.
• Authors of publication: Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7492 - 7500
• a: 16.0116 ± 0.0007 Å
• b: 29.3742 ± 0.001 Å
• c: 14.5726 ± 0.0006 Å
• α: 90°
• β: 105.562 ± 0.005°
• γ: 90°
• Cell volume: 6602.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No