Information card for entry 1512636

Structure parameters

• Formula: C40 H46 N4 O20 Zn
• Calculated formula: C40 H44.6 N4 O20 Zn
• SMILES: O.O.O.O.c1ccc2c(c1)[nH+]c1c(c2)cccc1.c1ccc2c(c1)[nH+]c1c(c2)cccc1.Oc1cc2C(=O)O[Zn]345([n]2c(c1)C(=O)O3)OC(=O)c1[n]5c(C(=O)O4)cc(c1)O.O.O.O.O.O.O
• Title of publication: Synthesis, characterization, spectroscopic, crystal structures and solution studies of two coordination compounds of zinc(II) and iron(III) based on chelidamic acid and acridine
• Authors of publication: Zohreh Derikvand; Andya Nemati; Ardeshir Shokrollahi; Fereshteh Zarghampour
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 362 - 373
• a: 19.628 ± 0.002 Å
• b: 15.9366 ± 0.0016 Å
• c: 29.386 ± 0.003 Å
• α: 90°
• β: 108.987 ± 0.002°
• γ: 90°
• Cell volume: 8691.9 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No