Information card for entry 7026203

Structure parameters

• Formula: C27 H35 Cl2 N3 O5 S U
• Calculated formula: C27 H35 Cl2 N3 O5 S U
• SMILES: [U]123(Oc4ccccc4C=[N]2N=C(SCCC)[N]3=Cc2cc(Cl)cc(Cl)c2O1)(=O)(=O)[OH]CCCCCCCCC
• Title of publication: Synthesis, X-ray crystal structures, thermal and electrochemical properties of thiosemicarbazidatodioxouranium(VI) complexes.
• Authors of publication: Sahin, Musa; Koca, Atıf; Ozdemir, Namık; Dinçer, Muharrem; Büyükgüngör, Orhan; Bal-Demirci, Tülay; Ulküseven, Bahri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10228 - 10237
• a: 17.2723 ± 0.0006 Å
• b: 8.8205 ± 0.0002 Å
• c: 21.5224 ± 0.0007 Å
• α: 90°
• β: 109.18 ± 0.003°
• γ: 90°
• Cell volume: 3096.93 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No