Information card for entry 4344882

Structure parameters

• Formula: C22 H33 Br N2 O14 Zn2
• Calculated formula: C20 H30 Br N2 O12 Zn2
• SMILES: [Zn]1234[O]5[Zn]6([N](=Cc7c5c(cc(Br)c7)C=[N]1C(CO)(C[OH]2)CO)C(CO)(CO)C[OH]6)([O]=C(O3)C)OC(=[O]4)C.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: 9.5367 ± 0.0008 Å
• b: 12.0547 ± 0.001 Å
• c: 13.1566 ± 0.0011 Å
• α: 97.977 ± 0.007°
• β: 94.89 ± 0.007°
• γ: 112.142 ± 0.008°
• Cell volume: 1371.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No