Information card for entry 4344880

Structure parameters

• Formula: C23 H38 N2 O16 Zn2
• Calculated formula: C23 H36 N2 O16 Zn2
• SMILES: [Zn]1234[O]5[Zn]6([N](C(C[OH]6)(CO)CO)=Cc6c5c(C=[N]4C(CO)(CO)C[OH]1)cc(OC)c6)([O]=C(O3)C)OC(=[O]2)C.O.O.[O-]C(=O)C
• 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: 9.4617 ± 0.0006 Å
• b: 12.8137 ± 0.0008 Å
• c: 12.9974 ± 0.0008 Å
• α: 82.901 ± 0.005°
• β: 85.705 ± 0.005°
• γ: 76.749 ± 0.005°
• Cell volume: 1520.31 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No