Information card for entry 1564462

Structure parameters

• Formula: C40 H32 Cd2 F4 N4 O12
• Calculated formula: C40 H32 Cd2 F4 N4 O12
• SMILES: c1(cc(ccc1)F)C1=[O][Cd]23([n]4cccc(c4)C(=O)N)([O]=C([O]2[Cd]24([n]5cccc(c5)C(=O)N)([O]3C(=[O]2)c2cccc(F)c2)(OC(=[O]4)c2cccc(c2)F)[OH2])c2cccc(F)c2)(O1)[OH2]
• Title of publication: The superiority of the classical synthesis compared to the hydrothermal synthesis upon the structural, optical absorption and fluorescent properties of new Cd(II) 3-fluorobenzoate complexes with Pyridine-3-carboxamide/Pyridine-3-carboxylate
• Authors of publication: Öztürkkan Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Elmalı, Ayhan; Şahin, Ertan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119694
• a: 10.0315 ± 0.0008 Å
• b: 10.537 ± 0.002 Å
• c: 10.919 ± 0.004 Å
• α: 117.164 ± 0.007°
• β: 91.324 ± 0.008°
• γ: 104.706 ± 0.008°
• Cell volume: 980.2 ± 0.4 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: 0.0413
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No