Information card for entry 1517133

Structure parameters

• Formula: C25 H21 F Fe N2 O Se
• Calculated formula: C25 H21 F Fe N2 O Se
• SMILES: [Se]=C(NC(=O)c1c(F)cccc1)Nc1cc(c(cc1)[c]12[cH]3[Fe]4567891([cH]3[cH]6[cH]25)[cH]1[cH]4[cH]9[cH]8[cH]71)C
• Title of publication: Synthesis, chemical characterization, DNA interaction and antioxidant studies of ortho, meta and para fluoro substituted ferrocene incorporated selenoureas
• Authors of publication: Raja Azadar Hussain; Amin Badshash; Manzar Sohail; Bhajan Lal; Ataf Ali Altaf
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 133 - 139
• a: 9.975 ± 0.0008 Å
• b: 9.999 ± 0.0005 Å
• c: 11.136 ± 0.0003 Å
• α: 92.579 ± 0.002°
• β: 102.078 ± 0.005°
• γ: 99.957 ± 0.003°
• Cell volume: 1065.95 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No